*HEADER    HYDROLASE INHIBITOR                     13-JAN-06   2FO8              
*TITLE     SOLUTION STRUCTURE OF THE TRYPANOSOMA CRUZI CYSTEINE                  
*TITLE    2 PROTEASE INHIBITOR CHAGASIN                                          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CHAGASIN;                                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: TRYPANOSOMA CRUZI;                              
*SOURCE   3 ORGANISM_COMMON: TRYPANOSOMA;                                        
*SOURCE   4 STRAIN: DM28C;                                                       
*SOURCE   5 GENE: CHA;                                                           
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21 DE3 PLYS;                             
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PLASMID;                                   
*SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PGEX-4T-1                                 
*KEYWDS    CHAGASIN; IG-LIKE DOMAIN; CYSTEINE PROTEASE INHIBITOR;                
*KEYWDS   2 TRYPANOSOMA CRUZI                                                    
*EXPDTA    NMR, 15 STRUCTURES                                                    
*AUTHOR    D.SALMON, R.DO AIDO-MACHADO, A.A.P.DE LIMA, J.SCHARFSTEIN,            
*AUTHOR   2 H.OSCHKINAT, J.R.PIRES                                               
*REVDAT   1   04-APR-06 2FO8    0                                                


 ! Unambigous Restraints
 ASSI {    4}
   (  segid "    " and resid 105  and name HG1%)
   (( segid "    " and resid 106  and name HN  ))
      3.200     1.200     1.200 peak     4 spectrum    1 weight  0.10000E+01 volume  0.16789E-02 ppm1      0.786 ppm2      8.655 CV     1
 ASSI {    5}
   (  segid "    " and resid 105  and name HG1%)
   (( segid "    " and resid 85   and name HN  ))
      4.300     2.300     1.700 peak     5 spectrum    1 weight  0.10000E+01 volume  0.16661E-03 ppm1      0.787 ppm2      8.596 CV     1
 ASSI {    7}
   (  segid "    " and resid 18   and name HG1%)
   (( segid "    " and resid 22   and name HN  ))
      3.500     1.500     1.500 peak     7 spectrum    1 weight  0.10000E+01 volume  0.12761E-02 ppm1      0.731 ppm2      9.385 CV     1
 ASSI {    8}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 85   and name HN  ))
      3.800     1.800     1.800 peak     8 spectrum    1 weight  0.10000E+01 volume  0.63594E-03 ppm1      0.676 ppm2      8.594 CV     1
 ASSI {   11}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 75   and name HN  ))
      6.000     5.900     0.000 peak    11 spectrum    1 weight  0.10000E+01 volume  0.12888E-04 ppm1      0.660 ppm2      9.823 CV     1
 ASSI {   13}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 107  and name HN  ))
      4.400     2.400     1.600 peak    13 spectrum    1 weight  0.10000E+01 volume  0.23784E-03 ppm1      0.660 ppm2      9.155 CV     1
 ASSI {   18}
   (( segid "    " and resid 24   and name HG12))
   (( segid "    " and resid 24   and name HN  ))
      3.200     1.300     1.300 peak    18 spectrum    1 weight  0.10000E+01 volume  0.83943E-03 ppm1      0.600 ppm2      9.082 CV     1
 ASSI {   24}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 106  and name HN  ))
      1.500     1.500     4.500 peak    24 spectrum    1 weight  0.10000E+01 volume  0.38834E+00 ppm1      0.570 ppm2      8.653 CV     1
 ASSI {   33}
   (  segid "    " and resid 85   and name HG2%)
   (( segid "    " and resid 107  and name HN  ))
      4.100     2.100     1.900 peak    33 spectrum    1 weight  0.10000E+01 volume  0.32814E-03 ppm1      0.266 ppm2      9.204 CV     1
 ASSI {   36}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 24   and name HN  ))
      4.000     2.000     2.000 peak    36 spectrum    1 weight  0.10000E+01 volume  0.63594E-03 ppm1      0.125 ppm2      9.081 CV     1
 ASSI {   41}
   (  segid "    " and resid 87   and name HD2%)
   (( segid "    " and resid 87   and name HN  ))
      4.500     2.500     1.500 peak    41 spectrum    1 weight  0.10000E+01 volume  0.31881E-03 ppm1     -0.817 ppm2      9.339 CV     1
 ASSI {   42}
   (  segid "    " and resid 87   and name HD2%)
   (( segid "    " and resid 37   and name HN  ))
      4.500     2.500     1.500 peak    42 spectrum    1 weight  0.10000E+01 volume  0.30525E-03 ppm1     -0.816 ppm2      9.101 CV     1
 ASSI {   43}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 36   and name HE1 ))
      4.600     2.700     1.400 peak    43 spectrum    1 weight  0.10000E+01 volume  0.46635E-03 ppm1     -1.275 ppm2     10.265 CV     1
 ASSI {   47}
   (  segid "    " and resid 13   and name HG2%)
   (( segid "    " and resid 106  and name HN  ))
      3.900     1.900     1.900 peak    47 spectrum    1 weight  0.10000E+01 volume  0.14499E-02 ppm1      0.960 ppm2      8.645 CV     1
 ASSI {   51}
   (  segid "    " and resid 82   and name HG2%)
   (( segid "    " and resid 109  and name HN  ))
      4.800     2.900     1.200 peak    51 spectrum    1 weight  0.10000E+01 volume  0.36333E-03 ppm1      0.928 ppm2      9.085 CV     1
 ASSI {   52}
   (  segid "    " and resid 75   and name HG1%)
   (( segid "    " and resid 76   and name HN  ))
      4.300     2.300     1.700 peak    52 spectrum    1 weight  0.10000E+01 volume  0.50874E-03 ppm1      0.910 ppm2      8.746 CV     1
 ASSI {   53}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 22   and name HN  ))
      4.000     2.000     2.000 peak    53 spectrum    1 weight  0.10000E+01 volume  0.55114E-03 ppm1      0.909 ppm2      9.385 CV     1
 ASSI {   54}
   (  segid "    " and resid 82   and name HG2%)
   (( segid "    " and resid 16   and name HN  ))
      4.400     2.400     1.600 peak    54 spectrum    1 weight  0.10000E+01 volume  0.62321E-03 ppm1      0.906 ppm2      8.618 CV     1
 ASSI {   55}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 109  and name HN  ))
      3.800     1.800     1.800 peak    55 spectrum    1 weight  0.10000E+01 volume  0.52570E-03 ppm1      2.820 ppm2      9.078 CV     1
 ASSI {   58}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
      4.100     2.100     1.900 peak    58 spectrum    1 weight  0.10000E+01 volume  0.80551E-03 ppm1      2.630 ppm2      9.102 CV     1
 ASSI {   59}
   (( segid "    " and resid 103  and name HB1 ))
   (( segid "    " and resid 103  and name HN  ))
      2.900     1.100     1.100 peak    59 spectrum    1 weight  0.10000E+01 volume  0.64441E-03 ppm1      2.591 ppm2      9.213 CV     1
 ASSI {   61}
   (( segid "    " and resid 90   and name HG1 ))
   (( segid "    " and resid 90   and name HN  ))
      3.200     1.300     1.300 peak    61 spectrum    1 weight  0.10000E+01 volume  0.47059E-03 ppm1      2.498 ppm2      8.971 CV     1
 ASSI {   63}
   (( segid "    " and resid 106  and name HB2 ))
   (( segid "    " and resid 107  and name HN  ))
      4.400     2.400     1.600 peak    63 spectrum    1 weight  0.10000E+01 volume  0.55962E-03 ppm1      2.406 ppm2      9.204 CV     1
 ASSI {   72}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 24   and name HN  ))
      5.500     3.800     0.500 peak    72 spectrum    1 weight  0.10000E+01 volume  0.43243E-04 ppm1      1.949 ppm2      9.075 CV     1
 ASSI {   73}
   (( segid "    " and resid 107  and name HB1 ))
   (( segid "    " and resid 108  and name HN  ))
      4.200     2.200     1.800 peak    73 spectrum    1 weight  0.10000E+01 volume  0.21748E-03 ppm1      1.923 ppm2      9.160 CV     1
 ASSI {   76}
   (( segid "    " and resid 108  and name HB1 ))
   (( segid "    " and resid 16   and name HN  ))
      3.100     1.200     1.200 peak    76 spectrum    1 weight  0.10000E+01 volume  0.12379E-02 ppm1      1.784 ppm2      8.655 CV     1
 ASSI {   84}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 107  and name HN  ))
      3.500     1.600     2.500 peak    84 spectrum    1 weight  0.10000E+01 volume  0.13651E-02 ppm1      1.541 ppm2      9.203 CV     1
 ASSI {   85}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 106  and name HN  ))
      4.000     2.000     2.000 peak    85 spectrum    1 weight  0.10000E+01 volume  0.27006E-03 ppm1      1.535 ppm2      8.655 CV     1
 ASSI {   92}
   (  segid "    " and resid 109  and name HB% )
   (( segid "    " and resid 109  and name HN  ))
      2.900     1.100     1.100 peak    92 spectrum    1 weight  0.10000E+01 volume  0.13948E-02 ppm1      1.325 ppm2      9.089 CV     1
 ASSI {   94}
   (( segid "    " and resid 21   and name HG  ))
   (( segid "    " and resid 22   and name HN  ))
      4.800     2.800     1.200 peak    94 spectrum    1 weight  0.10000E+01 volume  0.11447E-03 ppm1      1.315 ppm2      9.389 CV     1
 ASSI {   98}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 88   and name HN  ))
      3.400     1.400     1.400 peak    98 spectrum    1 weight  0.10000E+01 volume  0.17594E-02 ppm1      1.248 ppm2      9.391 CV     1
 ASSI {  109}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 75   and name HN  ))
      4.300     2.300     1.700 peak   109 spectrum    1 weight  0.10000E+01 volume  0.58081E-03 ppm1      2.982 ppm2      9.824 CV     1
 ASSI {  114}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 90   and name HA  ))
      3.500     1.600     1.600 peak   114 spectrum    1 weight  0.10000E+01 volume  0.60626E-03 ppm1      4.486 ppm2      4.641 CV     1
 ASSI {  119}
   (( segid "    " and resid 102  and name HA  ))
   (( segid "    " and resid 88   and name HN  ))
      4.200     2.200     1.800 peak   119 spectrum    1 weight  0.10000E+01 volume  0.43243E-03 ppm1      5.331 ppm2      9.393 CV     1
 ASSI {  121}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      6.000     5.800     0.000 peak   121 spectrum    1 weight  0.10000E+01 volume  0.50027E-04 ppm1      9.080 ppm2      9.822 CV     1
 ASSI {  122}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      2.300     0.600     0.600 peak   122 spectrum    1 weight  0.10000E+01 volume  0.43667E-02 ppm1      5.326 ppm2      9.825 CV     1
 ASSI {  123}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 107  and name HN  ))
      3.800     1.800     1.800 peak   123 spectrum    1 weight  0.10000E+01 volume  0.80128E-03 ppm1      8.654 ppm2      9.197 CV     1
 ASSI {  124}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      4.400     2.400     1.600 peak   124 spectrum    1 weight  0.10000E+01 volume  0.10556E-03 ppm1      5.087 ppm2      9.614 CV     1
 ASSI {  125}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 85   and name HN  ))
      4.200     2.200     1.800 peak   125 spectrum    1 weight  0.10000E+01 volume  0.30397E-03 ppm1      5.322 ppm2      8.590 CV     1
 ASSI {  126}
   (( segid "    " and resid 91   and name HG2 ))
   (( segid "    " and resid 91   and name HB2 ))
      2.900     1.000     1.000 peak   126 spectrum    1 weight  0.10000E+01 volume  0.17255E-02 ppm1     -0.143 ppm2      0.012 CV     1
 ASSI {  130}
   (  segid "    " and resid 26   and name HD2%)
   (  segid "    " and resid 87   and name HD2%)
      4.700     2.700     1.300 peak   130 spectrum    1 weight  0.10000E+01 volume  0.50451E-03 ppm1     -1.271 ppm2     -0.813 CV     1
 ASSI {  132}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 88   and name HN  ))
      4.000     2.000     2.000 peak   132 spectrum    1 weight  0.10000E+01 volume  0.51299E-03 ppm1      5.005 ppm2      9.391 CV     1
 ASSI {  141}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 85   and name HN  ))
      4.100     2.100     1.900 peak   141 spectrum    1 weight  0.10000E+01 volume  0.10472E-02 ppm1      4.884 ppm2      8.627 CV     1
 ASSI {  142}
   (  segid "    " and resid 87   and name HD2%)
   (  segid "    " and resid 85   and name HG1%)
      3.100     1.200     1.200 peak   142 spectrum    1 weight  0.10000E+01 volume  0.94544E-03 ppm1     -0.815 ppm2      0.592 CV     1
 ASSI {  145}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 24   and name HG2%)
      3.400     1.500     1.500 peak   145 spectrum    1 weight  0.10000E+01 volume  0.13143E-02 ppm1     -0.651 ppm2      0.125 CV     1
 ASSI {  150}
   (  segid "    " and resid 87   and name HD1%)
   (  segid "    " and resid 24   and name HG2%)
      2.900     1.100     1.100 peak   150 spectrum    1 weight  0.10000E+01 volume  0.10514E-02 ppm1     -0.463 ppm2      0.124 CV     1
 ASSI {  151}
   (  segid "    " and resid 87   and name HD1%)
   (  segid "    " and resid 85   and name HG2%)
      4.800     2.900     1.200 peak   151 spectrum    1 weight  0.10000E+01 volume  0.21919E-03 ppm1     -0.461 ppm2      0.267 CV     1
 ASSI {  152}
   (  segid "    " and resid 87   and name HD1%)
   (  segid "    " and resid 85   and name HG1%)
      2.900     1.000     1.000 peak   152 spectrum    1 weight  0.10000E+01 volume  0.25819E-02 ppm1     -0.462 ppm2      0.593 CV     1
 ASSI {  154}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 87   and name HB2 ))
      4.100     2.100     1.900 peak   154 spectrum    1 weight  0.10000E+01 volume  0.30949E-03 ppm1     -1.279 ppm2      1.244 CV     1
 ASSI {  156}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 103  and name HB2 ))
      3.300     1.400     1.400 peak   156 spectrum    1 weight  0.10000E+01 volume  0.12253E-02 ppm1     -1.278 ppm2      2.254 CV     1
 ASSI {  157}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 103  and name HB1 ))
      3.500     1.500     1.500 peak   157 spectrum    1 weight  0.10000E+01 volume  0.63169E-03 ppm1     -1.275 ppm2      2.591 CV     1
 ASSI {  159}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 16   and name HN  ))
      4.800     2.900     1.200 peak   159 spectrum    1 weight  0.10000E+01 volume  0.28151E-03 ppm1      4.045 ppm2      8.658 CV     1
 ASSI {  164}
   (( segid "    " and resid 88   and name HB  ))
   (( segid "    " and resid 88   and name HN  ))
      2.700     0.900     0.900 peak   164 spectrum    1 weight  0.10000E+01 volume  0.19247E-02 ppm1      3.833 ppm2      9.394 CV     1
 ASSI {  165}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 106  and name HN  ))
      4.400     2.400     1.600 peak   165 spectrum    1 weight  0.10000E+01 volume  0.40063E-03 ppm1      7.823 ppm2      8.655 CV     1
 ASSI {  168}
   (( segid "    " and resid 36   and name HE3 ))
   (( segid "    " and resid 37   and name HN  ))
      4.400     2.400     1.600 peak   168 spectrum    1 weight  0.10000E+01 volume  0.30271E-03 ppm1      7.072 ppm2      9.103 CV     1
 ASSI {  172}
   (  segid "    " and resid 37   and name HD% )
   (( segid "    " and resid 37   and name HN  ))
      3.100     1.200     1.200 peak   172 spectrum    1 weight  0.10000E+01 volume  0.14966E-02 ppm1      6.839 ppm2      9.103 CV     1
 ASSI {  173}
   (  segid "    " and resid 37   and name HD% )
   (( segid "    " and resid 90   and name HN  ))
      3.600     1.600     1.600 peak   173 spectrum    1 weight  0.10000E+01 volume  0.42056E-03 ppm1      6.836 ppm2      8.974 CV     1
 ASSI {  176}
   (( segid "    " and resid 74   and name HD2 ))
   (( segid "    " and resid 75   and name HN  ))
      2.900     2.900     3.100 peak   176 spectrum    1 weight  0.10000E+01 volume  0.11192E-03 ppm1      6.733 ppm2      9.826 CV     1
 ASSI {  177}
   (( segid "    " and resid 74   and name HD2 ))
   (( segid "    " and resid 24   and name HN  ))
      3.300     1.400     1.400 peak   177 spectrum    1 weight  0.10000E+01 volume  0.61049E-03 ppm1      6.733 ppm2      9.081 CV     1
 ASSI {  178}
   (  segid "    " and resid 106  and name HD% )
   (( segid "    " and resid 85   and name HN  ))
      4.600     2.600     1.400 peak   178 spectrum    1 weight  0.10000E+01 volume  0.34934E-03 ppm1      6.707 ppm2      8.591 CV     1
 ASSI {  181}
   (  segid "    " and resid 103  and name HD% )
   (( segid "    " and resid 87   and name HN  ))
      3.400     3.400     2.600 peak   181 spectrum    1 weight  0.10000E+01 volume  0.42819E-03 ppm1      6.689 ppm2      9.339 CV     1
 ASSI {  182}
   (  segid "    " and resid 106  and name HE% )
   (( segid "    " and resid 106  and name HN  ))
      2.300     2.300     3.700 peak   182 spectrum    1 weight  0.10000E+01 volume  0.38114E-03 ppm1      6.575 ppm2      8.652 CV     1
 ASSI {  184}
   (  segid "    " and resid 87   and name HD2%)
   (( segid "    " and resid 87   and name HB2 ))
      3.600     1.600     1.600 peak   184 spectrum    1 weight  0.10000E+01 volume  0.14244E-02 ppm1     -0.815 ppm2      1.240 CV     1
 ASSI {  187}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 25   and name HB1 ))
      4.400     2.400     1.600 peak   187 spectrum    1 weight  0.10000E+01 volume  0.48331E-03 ppm1     -0.652 ppm2      1.587 CV     1
 ASSI {  189}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 103  and name HB2 ))
      3.600     1.600     1.600 peak   189 spectrum    1 weight  0.10000E+01 volume  0.22342E-03 ppm1     -0.654 ppm2      2.254 CV     1
 ASSI {  191}
   (( segid "    " and resid 9   and name HD2 ))
   (( segid "    " and resid 9   and name HE1 ))
      4.400     2.400     1.600 peak   191 spectrum    1 weight  0.10000E+01 volume  0.46211E-03 ppm1      7.014 ppm2      7.725 CV     1
 ASSI {  193}
   (( segid "    " and resid 3    and name HD2 ))
   (( segid "    " and resid 3    and name HE1 ))
      4.600     2.700     1.400 peak   193 spectrum    1 weight  0.10000E+01 volume  0.28151E-03 ppm1      6.893 ppm2      8.057 CV     1
 ASSI {  194}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 7    and name HB2 ))
      2.900     1.000     1.000 peak   194 spectrum    1 weight  0.10000E+01 volume  0.38198E-02 ppm1     -0.650 ppm2      1.719 CV     1
 ASSI {  210}
   (( segid "    " and resid 93   and name HH2 ))
   (( segid "    " and resid 93   and name HZ2 ))
      2.400     0.700     0.700 peak   210 spectrum    1 weight  0.10000E+01 volume  0.57234E-02 ppm1      7.195 ppm2      7.390 CV     1
 ASSI {  214}
   (( segid "    " and resid 36   and name HZ3 ))
   (( segid "    " and resid 36   and name HE3 ))
      2.500     0.800     0.800 peak   214 spectrum    1 weight  0.10000E+01 volume  0.22978E-02 ppm1      6.755 ppm2      7.072 CV     1
 ASSI {  222}
   (  segid "    " and resid 106  and name HE% )
   (  segid "    " and resid 106  and name HD% )
      2.100     0.500     0.500 peak   222 spectrum    1 weight  0.10000E+01 volume  0.12718E-01 ppm1      6.576 ppm2      6.695 CV     1
 ASSI {  224}
   (( segid "    " and resid 40   and name HA1 ))
   (  segid "    " and resid 37   and name HE% )
      4.400     2.400     1.600 peak   224 spectrum    1 weight  0.10000E+01 volume  0.60626E-03 ppm1      4.242 ppm2      6.719 CV     1
 ASSI {  227}
   (  segid "    " and resid 87   and name HD1%)
   (( segid "    " and resid 36   and name HB2 ))
      3.200     1.200     1.200 peak   227 spectrum    1 weight  0.10000E+01 volume  0.62745E-04 ppm1     -0.462 ppm2      2.638 CV     1
 ASSI {  231}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 89   and name HE% )
      2.400     2.400     3.600 peak   231 spectrum    1 weight  0.10000E+01 volume  0.46635E-02 ppm1      4.118 ppm2      6.472 CV     1
 ASSI {  233}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 83   and name HE1 ))
      4.300     2.400     1.700 peak   233 spectrum    1 weight  0.10000E+01 volume  0.12082E-03 ppm1      3.994 ppm2      7.791 CV     1
 ASSI {  237}
   (( segid "    " and resid 85   and name HA  ))
   (  segid "    " and resid 38   and name HD% )
      5.900     4.300     0.100 peak   237 spectrum    1 weight  0.10000E+01 volume  0.84367E-04 ppm1      3.993 ppm2      7.496 CV     1
 ASSI {  238}
   (( segid "    " and resid 94   and name HB  ))
   (( segid "    " and resid 93   and name HD1 ))
      4.500     2.500     1.500 peak   238 spectrum    1 weight  0.10000E+01 volume  0.15517E-03 ppm1      3.990 ppm2      7.111 CV     1
 ASSI {  248}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 36   and name HD1 ))
      3.600     1.600     1.600 peak   248 spectrum    1 weight  0.10000E+01 volume  0.12931E-02 ppm1      3.872 ppm2      7.416 CV     1
 ASSI {  253}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 51   and name HD% )
      2.700     0.900     0.900 peak   253 spectrum    1 weight  0.10000E+01 volume  0.20265E-02 ppm1      3.795 ppm2      6.660 CV     1
 ASSI {  254}
   (( segid "    " and resid 70   and name HB  ))
   (( segid "    " and resid 72   and name HE1 ))
      5.500     3.800     0.500 peak   254 spectrum    1 weight  0.10000E+01 volume  0.23657E-03 ppm1      3.789 ppm2      7.351 CV     1
 ASSI {  255}
   (( segid "    " and resid 40   and name HA2 ))
   (  segid "    " and resid 37   and name HD% )
      4.100     2.100     1.900 peak   255 spectrum    1 weight  0.10000E+01 volume  0.34468E-03 ppm1      3.789 ppm2      6.814 CV     1
 ASSI {  256}
   (( segid "    " and resid 40   and name HA2 ))
   (  segid "    " and resid 37   and name HE% )
      5.200     3.400     0.800 peak   256 spectrum    1 weight  0.10000E+01 volume  0.14160E-03 ppm1      3.752 ppm2      6.718 CV     1
 ASSI {  258}
   (( segid "    " and resid 33   and name HA2 ))
   (  segid "    " and resid 34   and name HE% )
      4.200     2.200     1.800 peak   258 spectrum    1 weight  0.10000E+01 volume  0.50027E-03 ppm1      3.700 ppm2      7.111 CV     1
 ASSI {  261}
   (( segid "    " and resid 59   and name HD1 ))
   (  segid "    " and resid 58   and name HD% )
      4.500     2.600     1.500 peak   261 spectrum    1 weight  0.10000E+01 volume  0.45363E-03 ppm1      3.682 ppm2      6.817 CV     1
 ASSI {  265}
   (( segid "    " and resid 92   and name HA  ))
   (  segid "    " and resid 37   and name HE% )
      4.900     3.100     1.100 peak   265 spectrum    1 weight  0.10000E+01 volume  0.30482E-03 ppm1      3.596 ppm2      6.719 CV     1
 ASSI {  267}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 93   and name HE3 ))
      4.800     2.900     1.200 peak   267 spectrum    1 weight  0.10000E+01 volume  0.44515E-03 ppm1      3.589 ppm2      7.563 CV     1
 ASSI {  268}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 93   and name HZ3 ))
      5.400     3.700     0.600 peak   268 spectrum    1 weight  0.10000E+01 volume  0.33365E-03 ppm1      3.591 ppm2      7.168 CV     1
 ASSI {  270}
   (( segid "    " and resid 19   and name HA2 ))
   (( segid "    " and resid 51   and name HZ  ))
      5.500     3.700     0.500 peak   270 spectrum    1 weight  0.10000E+01 volume  0.55538E-04 ppm1      3.568 ppm2      7.317 CV     1
 ASSI {  273}
   (( segid "    " and resid 96   and name HD1 ))
   (  segid "    " and resid 34   and name HE% )
      3.500     1.500     1.500 peak   273 spectrum    1 weight  0.10000E+01 volume  0.10895E-02 ppm1      3.566 ppm2      7.114 CV     1
 ASSI {  274}
   (( segid "    " and resid 19   and name HA2 ))
   (  segid "    " and resid 51   and name HD% )
      3.900     1.900     1.900 peak   274 spectrum    1 weight  0.10000E+01 volume  0.47059E-03 ppm1      3.551 ppm2      6.651 CV     1
 ASSI {  275}
   (( segid "    " and resid 92   and name HD1 ))
   (  segid "    " and resid 37   and name HE% )
      3.800     3.800     2.200 peak   275 spectrum    1 weight  0.10000E+01 volume  0.34595E-03 ppm1      3.505 ppm2      6.719 CV     1
 ASSI {  276}
   (( segid "    " and resid 9   and name HB1 ))
   (( segid "    " and resid 104  and name HN  ))
      4.300     2.300     1.700 peak   276 spectrum    1 weight  0.10000E+01 volume  0.36163E-03 ppm1      3.485 ppm2      7.563 CV     1
 ASSI {  277}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 102  and name HE  ))
      3.400     3.400     2.600 peak   277 spectrum    1 weight  0.10000E+01 volume  0.94544E-03 ppm1      3.481 ppm2      7.169 CV     1
 ASSI {  278}
   (( segid "    " and resid 9   and name HB1 ))
   (  segid "    " and resid 103  and name HD% )
      4.600     2.700     1.400 peak   278 spectrum    1 weight  0.10000E+01 volume  0.30101E-03 ppm1      3.479 ppm2      6.683 CV     1
 ASSI {  280}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 38   and name HZ  ))
      4.200     2.300     1.800 peak   280 spectrum    1 weight  0.10000E+01 volume  0.53418E-03 ppm1      3.462 ppm2      7.274 CV     1
 ASSI {  281}
   (( segid "    " and resid 9   and name HB1 ))
   (  segid "    " and resid 103  and name HE% )
      4.300     2.300     1.700 peak   281 spectrum    1 weight  0.10000E+01 volume  0.35697E-03 ppm1      3.459 ppm2      6.918 CV     1
 ASSI {  282}
   (( segid "    " and resid 9   and name HB1 ))
   (( segid "    " and resid 9   and name HD2 ))
      2.800     1.000     1.000 peak   282 spectrum    1 weight  0.10000E+01 volume  0.17298E-02 ppm1      3.456 ppm2      7.014 CV     1
 ASSI {  285}
   (( segid "    " and resid 27   and name HD2 ))
   (( segid "    " and resid 36   and name HZ2 ))
      4.700     2.800     1.300 peak   285 spectrum    1 weight  0.10000E+01 volume  0.17679E-03 ppm1      3.370 ppm2      6.947 CV     1
 ASSI {  286}
   (( segid "    " and resid 11   and name HA2 ))
   (  segid "    " and resid 106  and name HE% )
      2.100     2.100     3.900 peak   286 spectrum    1 weight  0.10000E+01 volume  0.14160E-01 ppm1      3.365 ppm2      6.576 CV     1
 ASSI {  291}
   (( segid "    " and resid 9   and name HB2 ))
   (( segid "    " and resid 9   and name HD2 ))
      3.400     1.400     1.400 peak   291 spectrum    1 weight  0.10000E+01 volume  0.14288E-02 ppm1      3.296 ppm2      7.013 CV     1
 ASSI {  292}
   (( segid "    " and resid 9   and name HB2 ))
   (  segid "    " and resid 103  and name HE% )
      3.500     1.500     1.500 peak   292 spectrum    1 weight  0.10000E+01 volume  0.34510E-03 ppm1      3.298 ppm2      6.922 CV     1
 ASSI {  293}
   (( segid "    " and resid 9   and name HB2 ))
   (( segid "    " and resid 9   and name HE1 ))
      4.900     3.000     1.100 peak   293 spectrum    1 weight  0.10000E+01 volume  0.28871E-03 ppm1      3.289 ppm2      7.725 CV     1
 ASSI {  295}
   (( segid "    " and resid 104  and name HB  ))
   (  segid "    " and resid 106  and name HE% )
      4.400     2.400     1.600 peak   295 spectrum    1 weight  0.10000E+01 volume  0.38114E-03 ppm1      3.277 ppm2      6.576 CV     1
 ASSI {  296}
   (( segid "    " and resid 104  and name HB  ))
   (( segid "    " and resid 105  and name HN  ))
      4.300     2.300     1.700 peak   296 spectrum    1 weight  0.10000E+01 volume  0.57658E-03 ppm1      3.273 ppm2      7.829 CV     1
 ASSI {  300}
   (( segid "    " and resid 46   and name HD1 ))
   (( segid "    " and resid 38   and name HZ  ))
      3.500     1.500     1.500 peak   300 spectrum    1 weight  0.10000E+01 volume  0.84367E-03 ppm1      3.202 ppm2      7.316 CV     1
 ASSI {  302}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HD2 ))
      4.100     2.100     1.900 peak   302 spectrum    1 weight  0.10000E+01 volume  0.42395E-03 ppm1      3.206 ppm2      6.732 CV     1
 ASSI {  304}
   (( segid "    " and resid 102  and name HD1 ))
   (( segid "    " and resid 102  and name HE  ))
      3.600     1.600     1.600 peak   304 spectrum    1 weight  0.10000E+01 volume  0.55538E-03 ppm1      3.157 ppm2      7.138 CV     1
 ASSI {  305}
   (( segid "    " and resid 38   and name HB2 ))
   (  segid "    " and resid 38   and name HD% )
      2.300     0.600     0.600 peak   305 spectrum    1 weight  0.10000E+01 volume  0.40954E-02 ppm1      3.148 ppm2      7.497 CV     1
 ASSI {  306}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 38   and name HZ  ))
      6.000     5.100     0.000 peak   306 spectrum    1 weight  0.10000E+01 volume  0.52994E-04 ppm1      3.151 ppm2      7.274 CV     1
 ASSI {  307}
   (( segid "    " and resid 106  and name HB1 ))
   (  segid "    " and resid 106  and name HD% )
      2.400     0.700     0.700 peak   307 spectrum    1 weight  0.10000E+01 volume  0.59778E-02 ppm1      3.142 ppm2      6.698 CV     1
 ASSI {  310}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 36   and name HE3 ))
      3.100     1.200     1.200 peak   310 spectrum    1 weight  0.10000E+01 volume  0.67408E-03 ppm1      3.120 ppm2      7.073 CV     1
 ASSI {  311}
   (( segid "    " and resid 57   and name HB1 ))
   (  segid "    " and resid 57   and name HD% )
      2.600     0.800     0.800 peak   311 spectrum    1 weight  0.10000E+01 volume  0.25310E-02 ppm1      3.115 ppm2      7.206 CV     1
 ASSI {  313}
   (( segid "    " and resid 57   and name HB1 ))
   (  segid "    " and resid 57   and name HE% )
      4.200     2.200     1.800 peak   313 spectrum    1 weight  0.10000E+01 volume  0.67833E-03 ppm1      3.105 ppm2      6.921 CV     1
 ASSI {  317}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 72   and name HD2 ))
      4.000     2.000     2.000 peak   317 spectrum    1 weight  0.10000E+01 volume  0.28065E-03 ppm1      3.005 ppm2      6.660 CV     1
 ASSI {  318}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 74   and name HE1 ))
      4.800     2.900     1.200 peak   318 spectrum    1 weight  0.10000E+01 volume  0.36121E-03 ppm1      2.999 ppm2      7.791 CV     1
 ASSI {  324}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 74   and name HD2 ))
      6.000     5.500     0.000 peak   324 spectrum    1 weight  0.10000E+01 volume  0.50027E-04 ppm1      5.704 ppm2      6.733 CV     1
 ASSI {  325}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HD2 ))
      2.900     1.000     1.000 peak   325 spectrum    1 weight  0.10000E+01 volume  0.17551E-02 ppm1      5.703 ppm2      6.661 CV     1
 ASSI {  327}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 107  and name HB2 ))
      3.500     1.500     1.500 peak   327 spectrum    1 weight  0.10000E+01 volume  0.10005E-02 ppm1      0.662 ppm2      1.005 CV     1
 ASSI {  328}
   (  segid "    " and resid 89   and name HD% )
   (( segid "    " and resid 36   and name HE3 ))
      4.300     2.300     1.700 peak   328 spectrum    1 weight  0.10000E+01 volume  0.28574E-03 ppm1      5.578 ppm2      7.109 CV     1
 ASSI {  329}
   (  segid "    " and resid 89   and name HD% )
   (( segid "    " and resid 36   and name HZ2 ))
      4.200     2.200     1.800 peak   329 spectrum    1 weight  0.10000E+01 volume  0.30525E-03 ppm1      5.577 ppm2      6.947 CV     1
 ASSI {  330}
   (( segid "    " and resid 55   and name HA  ))
   (  segid "    " and resid 73   and name HD% )
      3.800     1.800     1.800 peak   330 spectrum    1 weight  0.10000E+01 volume  0.58506E-03 ppm1      5.578 ppm2      6.890 CV     1
 ASSI {  332}
   (( segid "    " and resid 91   and name HB2 ))
   (( segid "    " and resid 91   and name HG1 ))
      3.100     1.200     1.200 peak   332 spectrum    1 weight  0.10000E+01 volume  0.28490E-03 ppm1      0.015 ppm2      0.319 CV     1
 ASSI {  333}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 83   and name HD2 ))
      4.900     3.000     1.100 peak   333 spectrum    1 weight  0.10000E+01 volume  0.20944E-03 ppm1      5.512 ppm2      6.732 CV     1
 ASSI {  334}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 26   and name HG  ))
      3.300     3.300     2.700 peak   334 spectrum    1 weight  0.10000E+01 volume  0.20605E-02 ppm1      0.126 ppm2      0.372 CV     1
 ASSI {  336}
   (( segid "    " and resid 86   and name HA  ))
   (  segid "    " and resid 103  and name HD% )
      4.600     2.700     1.400 peak   336 spectrum    1 weight  0.10000E+01 volume  0.18738E-03 ppm1      5.381 ppm2      6.656 CV     1
 ASSI {  337}
   (( segid "    " and resid 102  and name HA  ))
   (( segid "    " and resid 36   and name HE3 ))
      4.200     2.200     1.800 peak   337 spectrum    1 weight  0.10000E+01 volume  0.29549E-03 ppm1      5.343 ppm2      7.072 CV     1
 ASSI {  338}
   (( segid "    " and resid 102  and name HA  ))
   (( segid "    " and resid 36   and name HZ3 ))
      1.700     0.300     0.500 peak   338 spectrum    1 weight  0.10000E+01 volume  0.28659E-01 ppm1      5.346 ppm2      6.757 CV     1
 ASSI {  339}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 106  and name HE% )
      4.900     3.000     1.100 peak   339 spectrum    1 weight  0.10000E+01 volume  0.35316E-03 ppm1      5.333 ppm2      6.577 CV     1
 ASSI {  343}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 9   and name HE1 ))
      5.600     3.900     0.400 peak   343 spectrum    1 weight  0.10000E+01 volume  0.14414E-03 ppm1      5.167 ppm2      7.722 CV     1
 ASSI {  344}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 36   and name HE3 ))
      3.700     1.700     1.700 peak   344 spectrum    1 weight  0.10000E+01 volume  0.62321E-03 ppm1      5.163 ppm2      7.073 CV     1
 ASSI {  351}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 73   and name HD% )
      3.100     1.200     1.200 peak   351 spectrum    1 weight  0.10000E+01 volume  0.14541E-02 ppm1      5.069 ppm2      6.890 CV     1
 ASSI {  352}
   (( segid "    " and resid 106  and name HA  ))
   (  segid "    " and resid 106  and name HD% )
      3.300     1.400     1.400 peak   352 spectrum    1 weight  0.10000E+01 volume  0.83943E-03 ppm1      5.069 ppm2      6.728 CV     1
 ASSI {  354}
   (( segid "    " and resid 57   and name HA  ))
   (  segid "    " and resid 57   and name HD% )
      4.500     2.600     1.500 peak   354 spectrum    1 weight  0.10000E+01 volume  0.20392E-03 ppm1      5.001 ppm2      7.205 CV     1
 ASSI {  359}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 72   and name HE1 ))
      5.600     3.900     0.400 peak   359 spectrum    1 weight  0.10000E+01 volume  0.20647E-03 ppm1      4.895 ppm2      7.352 CV     1
 ASSI {  365}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 36   and name HE3 ))
      4.200     2.300     1.800 peak   365 spectrum    1 weight  0.10000E+01 volume  0.54267E-03 ppm1      4.882 ppm2      7.073 CV     1
 ASSI {  368}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 38   and name HD% )
      5.200     3.400     0.800 peak   368 spectrum    1 weight  0.10000E+01 volume  0.31712E-03 ppm1      4.781 ppm2      7.495 CV     1
 ASSI {  370}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 37   and name HD% )
      2.800     1.000     1.000 peak   370 spectrum    1 weight  0.10000E+01 volume  0.18612E-02 ppm1      4.782 ppm2      6.839 CV     1
 ASSI {  373}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 37   and name HE% )
      4.700     2.700     1.300 peak   373 spectrum    1 weight  0.10000E+01 volume  0.26370E-03 ppm1      4.780 ppm2      6.731 CV     1
 ASSI {  376}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 36   and name HZ3 ))
      3.800     1.800     1.800 peak   376 spectrum    1 weight  0.10000E+01 volume  0.38283E-03 ppm1      4.683 ppm2      6.751 CV     1
 ASSI {  377}
   (( segid "    " and resid 90   and name HA  ))
   (  segid "    " and resid 34   and name HE% )
      3.800     1.800     1.800 peak   377 spectrum    1 weight  0.10000E+01 volume  0.95388E-03 ppm1      4.647 ppm2      7.110 CV     1
 ASSI {  378}
   (( segid "    " and resid 90   and name HA  ))
   (  segid "    " and resid 34   and name HD% )
      2.900     1.100     1.100 peak   378 spectrum    1 weight  0.10000E+01 volume  0.13058E-02 ppm1      4.647 ppm2      6.498 CV     1
 ASSI {  379}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HD2 ))
      3.700     1.700     1.700 peak   379 spectrum    1 weight  0.10000E+01 volume  0.12888E-02 ppm1      4.635 ppm2      6.893 CV     1
 ASSI {  380}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HE1 ))
      4.000     2.000     2.000 peak   380 spectrum    1 weight  0.10000E+01 volume  0.10641E-02 ppm1      4.615 ppm2      8.057 CV     1
 ASSI {  382}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 58   and name HD% )
      3.100     1.200     1.200 peak   382 spectrum    1 weight  0.10000E+01 volume  0.11192E-02 ppm1      4.581 ppm2      6.816 CV     1
 ASSI {  383}
   (( segid "    " and resid 32   and name HB  ))
   (  segid "    " and resid 34   and name HD% )
      3.600     1.600     1.600 peak   383 spectrum    1 weight  0.10000E+01 volume  0.10514E-02 ppm1      4.577 ppm2      6.498 CV     1
 ASSI {  393}
   (( segid "    " and resid 9   and name HA  ))
   (( segid "    " and resid 9   and name HE1 ))
      4.800     2.900     1.200 peak   393 spectrum    1 weight  0.10000E+01 volume  0.19629E-03 ppm1      4.445 ppm2      7.723 CV     1
 ASSI {  394}
   (( segid "    " and resid 9   and name HA  ))
   (( segid "    " and resid 9   and name HD2 ))
      2.800     0.900     0.900 peak   394 spectrum    1 weight  0.10000E+01 volume  0.26116E-02 ppm1      4.445 ppm2      7.014 CV     1
 ASSI {  395}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 36   and name HE3 ))
      4.300     2.300     1.700 peak   395 spectrum    1 weight  0.10000E+01 volume  0.30313E-03 ppm1      4.431 ppm2      7.072 CV     1
 ASSI {  396}
   (( segid "    " and resid 89   and name HA  ))
   (  segid "    " and resid 89   and name HE% )
      4.500     2.500     1.500 peak   396 spectrum    1 weight  0.10000E+01 volume  0.40106E-03 ppm1      4.433 ppm2      6.468 CV     1
 ASSI {  401}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 98   and name HD2 ))
      3.600     1.600     1.600 peak   401 spectrum    1 weight  0.10000E+01 volume  0.83095E-03 ppm1      4.386 ppm2      7.137 CV     1
 ASSI {  402}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 9   and name HE1 ))
      2.700     0.900     0.900 peak   402 spectrum    1 weight  0.10000E+01 volume  0.32475E-02 ppm1      4.367 ppm2      7.724 CV     1
 ASSI {  403}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 9   and name HD2 ))
      5.500     3.800     0.500 peak   403 spectrum    1 weight  0.10000E+01 volume  0.12125E-03 ppm1      4.371 ppm2      7.014 CV     1
 ASSI {  404}
   (( segid "    " and resid 91   and name HG2 ))
   (( segid "    " and resid 91   and name HB1 ))
      2.300     0.700     0.700 peak   404 spectrum    1 weight  0.10000E+01 volume  0.22131E-02 ppm1     -0.137 ppm2      0.750 CV     1
 ASSI {  407}
   (( segid "    " and resid 83   and name HB1 ))
   (( segid "    " and resid 83   and name HE1 ))
      4.500     2.500     1.500 peak   407 spectrum    1 weight  0.10000E+01 volume  0.32559E-03 ppm1      2.895 ppm2      7.790 CV     1
 ASSI {  409}
   (( segid "    " and resid 73   and name HB1 ))
   (  segid "    " and resid 73   and name HD% )
      2.700     0.900     0.900 peak   409 spectrum    1 weight  0.10000E+01 volume  0.23615E-02 ppm1      2.823 ppm2      6.892 CV     1
 ASSI {  410}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 83   and name HD2 ))
      3.000     1.100     1.100 peak   410 spectrum    1 weight  0.10000E+01 volume  0.13482E-02 ppm1      2.791 ppm2      6.733 CV     1
 ASSI {  412}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 83   and name HE1 ))
      3.900     1.900     1.900 peak   412 spectrum    1 weight  0.10000E+01 volume  0.76735E-03 ppm1      2.769 ppm2      7.790 CV     1
 ASSI {  413}
   (( segid "    " and resid 58   and name HB1 ))
   (  segid "    " and resid 58   and name HD% )
      3.200     1.300     1.300 peak   413 spectrum    1 weight  0.10000E+01 volume  0.10726E-02 ppm1      2.744 ppm2      6.817 CV     1
 ASSI {  416}
   (( segid "    " and resid 86   and name HB1 ))
   (  segid "    " and resid 38   and name HD% )
      4.300     2.300     1.700 peak   416 spectrum    1 weight  0.10000E+01 volume  0.50874E-03 ppm1      2.666 ppm2      7.498 CV     1
 ASSI {  417}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HE1 ))
      4.100     2.100     1.900 peak   417 spectrum    1 weight  0.10000E+01 volume  0.75464E-03 ppm1      2.670 ppm2      7.316 CV     1
 ASSI {  418}
   (( segid "    " and resid 46   and name HD2 ))
   (( segid "    " and resid 38   and name HZ  ))
      4.500     2.500     1.500 peak   418 spectrum    1 weight  0.10000E+01 volume  0.47483E-03 ppm1      2.671 ppm2      7.274 CV     1
 ASSI {  419}
   (( segid "    " and resid 51   and name HB2 ))
   (  segid "    " and resid 51   and name HE% )
      4.100     2.100     1.900 peak   419 spectrum    1 weight  0.10000E+01 volume  0.45363E-03 ppm1      2.672 ppm2      7.115 CV     1
 ASSI {  420}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 74   and name HD2 ))
      3.400     1.400     1.400 peak   420 spectrum    1 weight  0.10000E+01 volume  0.44092E-03 ppm1      2.659 ppm2      6.733 CV     1
 ASSI {  422}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HD1 ))
      3.600     1.600     1.600 peak   422 spectrum    1 weight  0.10000E+01 volume  0.21876E-03 ppm1      2.644 ppm2      7.414 CV     1
 ASSI {  425}
   (( segid "    " and resid 58   and name HB2 ))
   (  segid "    " and resid 58   and name HD% )
      3.500     1.500     1.500 peak   425 spectrum    1 weight  0.10000E+01 volume  0.57234E-03 ppm1      2.627 ppm2      6.818 CV     1
 ASSI {  427}
   (( segid "    " and resid 103  and name HB1 ))
   (( segid "    " and resid 36   and name HE3 ))
      2.700     0.900     0.900 peak   427 spectrum    1 weight  0.10000E+01 volume  0.27854E-02 ppm1      2.598 ppm2      7.111 CV     1
 ASSI {  429}
   (( segid "    " and resid 73   and name HB2 ))
   (  segid "    " and resid 73   and name HD% )
      2.600     0.900     0.900 peak   429 spectrum    1 weight  0.10000E+01 volume  0.31584E-02 ppm1      2.591 ppm2      6.890 CV     1
 ASSI {  430}
   (( segid "    " and resid 91   and name HD1 ))
   (  segid "    " and resid 34   and name HD% )
      4.500     2.600     1.500 peak   430 spectrum    1 weight  0.10000E+01 volume  0.47483E-03 ppm1      2.593 ppm2      6.498 CV     1
 ASSI {  432}
   (( segid "    " and resid 56   and name HE1 ))
   (( segid "    " and resid 74   and name HE1 ))
      6.000     6.000     0.000 peak   432 spectrum    1 weight  0.10000E+01 volume  0.10769E-05 ppm1      2.580 ppm2      7.789 CV     1
 ASSI {  434}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 37   and name HE% )
      4.100     2.100     1.900 peak   434 spectrum    1 weight  0.10000E+01 volume  0.86062E-03 ppm1      2.515 ppm2      6.719 CV     1
 ASSI {  437}
   (( segid "    " and resid 106  and name HB2 ))
   (  segid "    " and resid 106  and name HD% )
      2.900     1.000     1.000 peak   437 spectrum    1 weight  0.10000E+01 volume  0.14584E-02 ppm1      2.401 ppm2      6.699 CV     1
 ASSI {  438}
   (( segid "    " and resid 106  and name HB2 ))
   (  segid "    " and resid 106  and name HE% )
      4.400     2.500     1.600 peak   438 spectrum    1 weight  0.10000E+01 volume  0.63594E-03 ppm1      2.402 ppm2      6.578 CV     1
 ASSI {  439}
   (( segid "    " and resid 44   and name HG1 ))
   (  segid "    " and resid 38   and name HE% )
      3.600     3.600     2.400 peak   439 spectrum    1 weight  0.10000E+01 volume  0.78008E-03 ppm1      2.364 ppm2      6.893 CV     1
 ASSI {  440}
   (( segid "    " and resid 34   and name HB1 ))
   (  segid "    " and resid 34   and name HE% )
      4.600     2.700     1.400 peak   440 spectrum    1 weight  0.10000E+01 volume  0.33577E-03 ppm1      2.340 ppm2      7.110 CV     1
 ASSI {  442}
   (( segid "    " and resid 34   and name HB1 ))
   (  segid "    " and resid 34   and name HD% )
      2.400     0.700     0.700 peak   442 spectrum    1 weight  0.10000E+01 volume  0.66561E-02 ppm1      2.332 ppm2      6.469 CV     1
 ASSI {  446}
   (( segid "    " and resid 89   and name HB1 ))
   (  segid "    " and resid 89   and name HE% )
      6.000     6.000     0.000 peak   446 spectrum    1 weight  0.10000E+01 volume  0.99209E-05 ppm1      2.278 ppm2      6.471 CV     1
 ASSI {  448}
   (( segid "    " and resid 103  and name HB2 ))
   (( segid "    " and resid 36   and name HE3 ))
      4.300     2.300     1.700 peak   448 spectrum    1 weight  0.10000E+01 volume  0.50451E-03 ppm1      2.258 ppm2      7.075 CV     1
 ASSI {  449}
   (( segid "    " and resid 103  and name HB2 ))
   (  segid "    " and resid 103  and name HE% )
      3.900     1.900     1.900 peak   449 spectrum    1 weight  0.10000E+01 volume  0.74616E-03 ppm1      2.261 ppm2      6.941 CV     1
 ASSI {  450}
   (( segid "    " and resid 55   and name HB1 ))
   (  segid "    " and resid 57   and name HE% )
      3.500     1.500     1.500 peak   450 spectrum    1 weight  0.10000E+01 volume  0.79703E-03 ppm1      2.254 ppm2      6.891 CV     1
 ASSI {  452}
   (( segid "    " and resid 103  and name HB2 ))
   (( segid "    " and resid 105  and name HN  ))
      3.700     1.800     2.300 peak   452 spectrum    1 weight  0.10000E+01 volume  0.10769E-02 ppm1      2.235 ppm2      7.791 CV     1
 ASSI {  453}
   (( segid "    " and resid 50   and name HG2 ))
   (  segid "    " and resid 51   and name HD% )
      4.000     2.000     2.000 peak   453 spectrum    1 weight  0.10000E+01 volume  0.51722E-03 ppm1      2.192 ppm2      6.655 CV     1
 ASSI {  454}
   (( segid "    " and resid 27   and name HG1 ))
   (( segid "    " and resid 36   and name HZ2 ))
      4.800     2.900     1.200 peak   454 spectrum    1 weight  0.10000E+01 volume  0.42014E-03 ppm1      2.185 ppm2      6.946 CV     1
 ASSI {  455}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 38   and name HZ  ))
      4.900     3.000     1.100 peak   455 spectrum    1 weight  0.10000E+01 volume  0.33153E-03 ppm1      2.176 ppm2      7.277 CV     1
 ASSI {  460}
   (( segid "    " and resid 85   and name HB  ))
   (  segid "    " and resid 103  and name HD% )
      3.900     1.900     1.900 peak   460 spectrum    1 weight  0.10000E+01 volume  0.55538E-03 ppm1      2.050 ppm2      6.725 CV     1
 ASSI {  461}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 36   and name HD1 ))
      3.800     1.800     1.800 peak   461 spectrum    1 weight  0.10000E+01 volume  0.11320E-02 ppm1      2.042 ppm2      7.415 CV     1
 ASSI {  462}
   (( segid "    " and resid 85   and name HB  ))
   (  segid "    " and resid 103  and name HE% )
      2.700     0.900     0.900 peak   462 spectrum    1 weight  0.10000E+01 volume  0.21155E-02 ppm1      2.047 ppm2      6.892 CV     1
 ASSI {  463}
   (( segid "    " and resid 16   and name HB  ))
   (( segid "    " and resid 3    and name HE1 ))
      4.700     2.700     1.300 peak   463 spectrum    1 weight  0.10000E+01 volume  0.32475E-03 ppm1      2.039 ppm2      8.057 CV     1
 ASSI {  464}
   (( segid "    " and resid 85   and name HB  ))
   (( segid "    " and resid 105  and name HN  ))
      3.200     1.300     1.300 peak   464 spectrum    1 weight  0.10000E+01 volume  0.10514E-02 ppm1      2.037 ppm2      7.824 CV     1
 ASSI {  467}
   (  segid "    " and resid 50   and name HE% )
   (( segid "    " and resid 51   and name HZ  ))
      4.500     2.500     1.500 peak   467 spectrum    1 weight  0.10000E+01 volume  0.32390E-03 ppm1      2.016 ppm2      7.318 CV     1
 ASSI {  468}
   (  segid "    " and resid 50   and name HE% )
   (  segid "    " and resid 51   and name HE% )
      4.400     2.400     1.600 peak   468 spectrum    1 weight  0.10000E+01 volume  0.26878E-03 ppm1      2.014 ppm2      7.116 CV     1
 ASSI {  471}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 36   and name HZ2 ))
      4.000     2.000     2.000 peak   471 spectrum    1 weight  0.10000E+01 volume  0.66137E-03 ppm1      2.004 ppm2      6.946 CV     1
 ASSI {  473}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 74   and name HD2 ))
      3.300     1.400     1.400 peak   473 spectrum    1 weight  0.10000E+01 volume  0.94114E-03 ppm1      1.925 ppm2      6.732 CV     1
 ASSI {  475}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 36   and name HD1 ))
      2.900     1.100     1.100 peak   475 spectrum    1 weight  0.10000E+01 volume  0.61474E-03 ppm1      1.889 ppm2      7.416 CV     1
 ASSI {  477}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 105  and name HN  ))
      3.600     3.600     2.400 peak   477 spectrum    1 weight  0.10000E+01 volume  0.28702E-02 ppm1      1.878 ppm2      7.791 CV     1
 ASSI {  478}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 9   and name HE1 ))
      5.000     3.200     1.000 peak   478 spectrum    1 weight  0.10000E+01 volume  0.22724E-03 ppm1      1.884 ppm2      7.724 CV     1
 ASSI {  479}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 57   and name HD% )
      5.400     3.700     0.600 peak   479 spectrum    1 weight  0.10000E+01 volume  0.20519E-03 ppm1      1.884 ppm2      7.212 CV     1
 ASSI {  482}
   (( segid "    " and resid 5    and name HB  ))
   (  segid "    " and resid 103  and name HE% )
      4.300     2.300     1.700 peak   482 spectrum    1 weight  0.10000E+01 volume  0.48755E-03 ppm1      1.874 ppm2      6.928 CV     1
 ASSI {  485}
   (( segid "    " and resid 25   and name HG1 ))
   (( segid "    " and resid 72   and name HE1 ))
      2.700     0.900     0.900 peak   485 spectrum    1 weight  0.10000E+01 volume  0.20561E-02 ppm1      1.833 ppm2      7.351 CV     1
 ASSI {  487}
   (( segid "    " and resid 92   and name HG1 ))
   (  segid "    " and resid 37   and name HD% )
      4.100     2.100     1.900 peak   487 spectrum    1 weight  0.10000E+01 volume  0.49179E-03 ppm1      1.826 ppm2      6.839 CV     1
 ASSI {  490}
   (( segid "    " and resid 78   and name HB1 ))
   (  segid "    " and resid 51   and name HE% )
      4.200     2.200     1.800 peak   490 spectrum    1 weight  0.10000E+01 volume  0.27133E-03 ppm1      1.822 ppm2      7.091 CV     1
 ASSI {  491}
   (( segid "    " and resid 92   and name HG1 ))
   (  segid "    " and resid 37   and name HE% )
      3.100     1.200     1.200 peak   491 spectrum    1 weight  0.10000E+01 volume  0.68681E-03 ppm1      1.804 ppm2      6.732 CV     1
 ASSI {  492}
   (( segid "    " and resid 105  and name HB  ))
   (( segid "    " and resid 105  and name HN  ))
      4.500     2.600     1.500 peak   492 spectrum    1 weight  0.10000E+01 volume  0.94966E-04 ppm1      1.777 ppm2      7.825 CV     1
 ASSI {  493}
   (( segid "    " and resid 105  and name HB  ))
   (  segid "    " and resid 103  and name HE% )
      3.100     1.200     1.200 peak   493 spectrum    1 weight  0.10000E+01 volume  0.11786E-02 ppm1      1.781 ppm2      6.925 CV     1
 ASSI {  496}
   (( segid "    " and resid 102  and name HG1 ))
   (( segid "    " and resid 36   and name HE3 ))
      4.700     2.800     1.300 peak   496 spectrum    1 weight  0.10000E+01 volume  0.22809E-03 ppm1      1.725 ppm2      7.111 CV     1
 ASSI {  497}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 36   and name HZ2 ))
      4.500     2.500     1.500 peak   497 spectrum    1 weight  0.10000E+01 volume  0.47059E-03 ppm1      1.720 ppm2      6.925 CV     1
 ASSI {  498}
   (( segid "    " and resid 90   and name HB1 ))
   (  segid "    " and resid 34   and name HD% )
      4.300     2.300     1.700 peak   498 spectrum    1 weight  0.10000E+01 volume  0.45787E-03 ppm1      1.711 ppm2      6.497 CV     1
 ASSI {  501}
   (( segid "    " and resid 92   and name HB1 ))
   (( segid "    " and resid 93   and name HE3 ))
      4.900     3.000     1.100 peak   501 spectrum    1 weight  0.10000E+01 volume  0.50451E-03 ppm1      1.688 ppm2      7.560 CV     1
 ASSI {  502}
   (( segid "    " and resid 7    and name HD1 ))
   (( segid "    " and resid 36   and name HZ2 ))
      3.200     1.200     1.200 peak   502 spectrum    1 weight  0.10000E+01 volume  0.93270E-03 ppm1      1.686 ppm2      6.941 CV     1
 ASSI {  503}
   (( segid "    " and resid 92   and name HB1 ))
   (  segid "    " and resid 37   and name HD% )
      2.200     2.200     3.800 peak   503 spectrum    1 weight  0.10000E+01 volume  0.12804E-01 ppm1      1.669 ppm2      6.838 CV     1
 ASSI {  504}
   (( segid "    " and resid 92   and name HB1 ))
   (  segid "    " and resid 37   and name HE% )
      4.000     2.000     2.000 peak   504 spectrum    1 weight  0.10000E+01 volume  0.58081E-03 ppm1      1.671 ppm2      6.686 CV     1
 ASSI {  508}
   (( segid "    " and resid 78   and name HD1 ))
   (  segid "    " and resid 51   and name HD% )
      4.800     2.900     1.200 peak   508 spectrum    1 weight  0.10000E+01 volume  0.11277E-03 ppm1      1.583 ppm2      6.659 CV     1
 ASSI {  509}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 72   and name HE1 ))
      4.500     2.600     1.500 peak   509 spectrum    1 weight  0.10000E+01 volume  0.42014E-03 ppm1      1.578 ppm2      7.350 CV     1
 ASSI {  514}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 104  and name HN  ))
      4.600     2.700     1.400 peak   514 spectrum    1 weight  0.10000E+01 volume  0.30058E-03 ppm1      1.558 ppm2      7.559 CV     1
 ASSI {  516}
   (( segid "    " and resid 78   and name HD1 ))
   (  segid "    " and resid 51   and name HE% )
      3.900     1.900     1.900 peak   516 spectrum    1 weight  0.10000E+01 volume  0.41929E-03 ppm1      1.559 ppm2      7.110 CV     1
 ASSI {  518}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 9   and name HD2 ))
      2.900     1.000     1.000 peak   518 spectrum    1 weight  0.10000E+01 volume  0.16195E-02 ppm1      1.535 ppm2      7.014 CV     1
 ASSI {  520}
   (( segid "    " and resid 87   and name HB1 ))
   (( segid "    " and resid 36   and name HE3 ))
      2.900     1.000     1.000 peak   520 spectrum    1 weight  0.10000E+01 volume  0.17551E-02 ppm1      1.491 ppm2      7.072 CV     1
 ASSI {  522}
   (( segid "    " and resid 56   and name HD1 ))
   (( segid "    " and resid 72   and name HE1 ))
      3.600     1.600     1.600 peak   522 spectrum    1 weight  0.10000E+01 volume  0.10091E-02 ppm1      1.478 ppm2      7.351 CV     1
 ASSI {  525}
   (( segid "    " and resid 90   and name HB2 ))
   (  segid "    " and resid 37   and name HD% )
      3.700     1.700     1.700 peak   525 spectrum    1 weight  0.10000E+01 volume  0.54690E-03 ppm1      1.450 ppm2      6.815 CV     1
 ASSI {  526}
   (( segid "    " and resid 56   and name HD1 ))
   (( segid "    " and resid 74   and name HD2 ))
      3.100     1.200     1.200 peak   526 spectrum    1 weight  0.10000E+01 volume  0.24038E-02 ppm1      1.451 ppm2      6.744 CV     1
 ASSI {  527}
   (( segid "    " and resid 56   and name HD1 ))
   (( segid "    " and resid 72   and name HD2 ))
      5.700     4.100     0.300 peak   527 spectrum    1 weight  0.10000E+01 volume  0.40488E-04 ppm1      1.447 ppm2      6.662 CV     1
 ASSI {  530}
   (( segid "    " and resid 90   and name HB2 ))
   (  segid "    " and resid 34   and name HD% )
      4.600     2.700     1.400 peak   530 spectrum    1 weight  0.10000E+01 volume  0.30949E-03 ppm1      1.416 ppm2      6.495 CV     1
 ASSI {  531}
   (( segid "    " and resid 78   and name HG1 ))
   (  segid "    " and resid 51   and name HE% )
      5.400     3.600     0.600 peak   531 spectrum    1 weight  0.10000E+01 volume  0.92418E-04 ppm1      1.378 ppm2      7.116 CV     1
 ASSI {  536}
   (( segid "    " and resid 92   and name HB2 ))
   (  segid "    " and resid 37   and name HD% )
      5.000     3.100     1.000 peak   536 spectrum    1 weight  0.10000E+01 volume  0.24208E-03 ppm1      1.352 ppm2      6.839 CV     1
 ASSI {  537}
   (  segid "    " and resid 84   and name HB% )
   (  segid "    " and resid 106  and name HD% )
      3.200     1.300     1.300 peak   537 spectrum    1 weight  0.10000E+01 volume  0.14924E-02 ppm1      1.349 ppm2      6.697 CV     1
 ASSI {  538}
   (  segid "    " and resid 84   and name HB% )
   (  segid "    " and resid 106  and name HE% )
      2.600     0.900     0.900 peak   538 spectrum    1 weight  0.10000E+01 volume  0.40063E-02 ppm1      1.348 ppm2      6.575 CV     1
 ASSI {  539}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 72   and name HE1 ))
      4.900     3.000     1.100 peak   539 spectrum    1 weight  0.10000E+01 volume  0.20308E-03 ppm1      1.333 ppm2      7.351 CV     1
 ASSI {  544}
   (  segid "    " and resid 53   and name HG1%)
   (( segid "    " and resid 38   and name HZ  ))
      3.700     1.700     1.700 peak   544 spectrum    1 weight  0.10000E+01 volume  0.74192E-03 ppm1      1.307 ppm2      7.273 CV     1
 ASSI {  547}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 72   and name HD2 ))
      3.200     1.300     1.300 peak   547 spectrum    1 weight  0.10000E+01 volume  0.18230E-02 ppm1      1.308 ppm2      6.655 CV     1
 ASSI {  550}
   (  segid "    " and resid 35   and name HB% )
   (  segid "    " and resid 37   and name HD% )
      3.300     1.300     1.300 peak   550 spectrum    1 weight  0.10000E+01 volume  0.11192E-02 ppm1      1.262 ppm2      6.838 CV     1
 ASSI {  552}
   (  segid "    " and resid 35   and name HB% )
   (  segid "    " and resid 89   and name HE% )
      4.900     3.000     1.100 peak   552 spectrum    1 weight  0.10000E+01 volume  0.36121E-03 ppm1      1.265 ppm2      6.471 CV     1
 ASSI {  553}
   (  segid "    " and resid 35   and name HB% )
   (( segid "    " and resid 36   and name HD1 ))
      4.800     2.800     1.200 peak   553 spectrum    1 weight  0.10000E+01 volume  0.29253E-03 ppm1      1.260 ppm2      7.415 CV     1
 ASSI {  556}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 36   and name HZ3 ))
      3.700     1.700     1.700 peak   556 spectrum    1 weight  0.10000E+01 volume  0.72496E-03 ppm1      1.238 ppm2      6.759 CV     1
 ASSI {  558}
   (( segid "    " and resid 87   and name HB2 ))
   (  segid "    " and resid 103  and name HD% )
      3.800     1.800     1.800 peak   558 spectrum    1 weight  0.10000E+01 volume  0.20011E-03 ppm1      1.233 ppm2      6.659 CV     1
 ASSI {  559}
   (( segid "    " and resid 87   and name HB2 ))
   (  segid "    " and resid 38   and name HD% )
      4.400     2.500     1.600 peak   559 spectrum    1 weight  0.10000E+01 volume  0.66561E-03 ppm1      1.224 ppm2      7.499 CV     1
 ASSI {  560}
   (( segid "    " and resid 4    and name HG1 ))
   (( segid "    " and resid 3    and name HE1 ))
      4.800     2.800     1.200 peak   560 spectrum    1 weight  0.10000E+01 volume  0.15474E-03 ppm1      1.160 ppm2      8.057 CV     1
 ASSI {  561}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 72   and name HE1 ))
      4.700     2.800     1.300 peak   561 spectrum    1 weight  0.10000E+01 volume  0.39640E-03 ppm1      1.159 ppm2      7.351 CV     1
 ASSI {  562}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 74   and name HD2 ))
      4.100     2.100     1.900 peak   562 spectrum    1 weight  0.10000E+01 volume  0.10387E-02 ppm1      1.159 ppm2      6.733 CV     1
 ASSI {  563}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 72   and name HD2 ))
      3.000     1.100     1.100 peak   563 spectrum    1 weight  0.10000E+01 volume  0.89879E-03 ppm1      1.157 ppm2      6.661 CV     1
 ASSI {  564}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 9   and name HE1 ))
      3.100     1.200     1.200 peak   564 spectrum    1 weight  0.10000E+01 volume  0.23996E-02 ppm1      1.094 ppm2      7.724 CV     1
 ASSI {  565}
   (  segid "    " and resid 88   and name HG2%)
   (( segid "    " and resid 36   and name HZ3 ))
      6.000     5.400     0.000 peak   565 spectrum    1 weight  0.10000E+01 volume  0.65289E-04 ppm1      1.094 ppm2      6.753 CV     1
 ASSI {  567}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 9   and name HD2 ))
      4.100     2.100     1.900 peak   567 spectrum    1 weight  0.10000E+01 volume  0.43243E-03 ppm1      1.079 ppm2      7.014 CV     1
 ASSI {  568}
   (( segid "    " and resid 56   and name HG1 ))
   (( segid "    " and resid 74   and name HE1 ))
      4.800     2.900     1.200 peak   568 spectrum    1 weight  0.10000E+01 volume  0.20435E-03 ppm1      1.032 ppm2      7.792 CV     1
 ASSI {  570}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 72   and name HE1 ))
      4.300     2.300     1.700 peak   570 spectrum    1 weight  0.10000E+01 volume  0.32517E-03 ppm1      0.972 ppm2      7.351 CV     1
 ASSI {  571}
   (  segid "    " and resid 70   and name HG2%)
   (  segid "    " and resid 58   and name HD% )
      5.400     3.700     0.600 peak   571 spectrum    1 weight  0.10000E+01 volume  0.13101E-03 ppm1      0.974 ppm2      6.819 CV     1
 ASSI {  572}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 72   and name HD2 ))
      3.100     1.200     1.200 peak   572 spectrum    1 weight  0.10000E+01 volume  0.23106E-02 ppm1      0.972 ppm2      6.661 CV     1
 ASSI {  576}
   (  segid "    " and resid 13   and name HG2%)
   (  segid "    " and resid 106  and name HE% )
      4.100     2.100     1.900 peak   576 spectrum    1 weight  0.10000E+01 volume  0.68681E-03 ppm1      0.935 ppm2      6.576 CV     1
 ASSI {  578}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 51   and name HZ  ))
      4.600     2.700     1.400 peak   578 spectrum    1 weight  0.10000E+01 volume  0.20858E-03 ppm1      0.921 ppm2      7.278 CV     1
 ASSI {  580}
   (  segid "    " and resid 5    and name HG1%)
   (( segid "    " and resid 9   and name HD2 ))
      4.800     2.900     1.200 peak   580 spectrum    1 weight  0.10000E+01 volume  0.23572E-03 ppm1      0.834 ppm2      7.014 CV     1
 ASSI {  583}
   (  segid "    " and resid 5    and name HG1%)
   (( segid "    " and resid 3    and name HE1 ))
      4.400     2.400     1.600 peak   583 spectrum    1 weight  0.10000E+01 volume  0.47059E-03 ppm1      0.831 ppm2      8.057 CV     1
 ASSI {  584}
   (  segid "    " and resid 5    and name HG1%)
   (( segid "    " and resid 9   and name HE1 ))
      4.700     2.800     1.300 peak   584 spectrum    1 weight  0.10000E+01 volume  0.39089E-03 ppm1      0.834 ppm2      7.724 CV     1
 ASSI {  586}
   (  segid "    " and resid 5    and name HG1%)
   (( segid "    " and resid 104  and name HN  ))
      3.600     1.600     1.600 peak   586 spectrum    1 weight  0.10000E+01 volume  0.33153E-03 ppm1      0.825 ppm2      7.566 CV     1
 ASSI {  587}
   (  segid "    " and resid 94   and name HG2%)
   (( segid "    " and resid 93   and name HD1 ))
      2.900     1.000     1.000 peak   587 spectrum    1 weight  0.10000E+01 volume  0.21537E-02 ppm1      0.825 ppm2      7.091 CV     1
 ASSI {  588}
   (  segid "    " and resid 22   and name HG1%)
   (( segid "    " and resid 83   and name HD2 ))
      3.700     1.800     1.800 peak   588 spectrum    1 weight  0.10000E+01 volume  0.67408E-03 ppm1      0.825 ppm2      6.733 CV     1
 ASSI {  590}
   (  segid "    " and resid 105  and name HG1%)
   (( segid "    " and resid 105  and name HN  ))
      3.000     1.100     1.100 peak   590 spectrum    1 weight  0.10000E+01 volume  0.94966E-03 ppm1      0.787 ppm2      7.820 CV     1
 ASSI {  591}
   (  segid "    " and resid 105  and name HG1%)
   (  segid "    " and resid 106  and name HD% )
      3.700     1.700     1.700 peak   591 spectrum    1 weight  0.10000E+01 volume  0.39852E-03 ppm1      0.787 ppm2      6.698 CV     1
 ASSI {  592}
   (  segid "    " and resid 105  and name HG1%)
   (( segid "    " and resid 9   and name HD2 ))
      4.000     2.000     2.000 peak   592 spectrum    1 weight  0.10000E+01 volume  0.97936E-03 ppm1      0.785 ppm2      7.014 CV     1
 ASSI {  595}
   (( segid "    " and resid 34   and name HB2 ))
   (  segid "    " and resid 34   and name HD% )
      2.700     0.900     0.900 peak   595 spectrum    1 weight  0.10000E+01 volume  0.18824E-02 ppm1      0.745 ppm2      6.498 CV     1
 ASSI {  597}
   (  segid "    " and resid 105  and name HG2%)
   (  segid "    " and resid 106  and name HD% )
      4.900     3.000     1.100 peak   597 spectrum    1 weight  0.10000E+01 volume  0.22385E-03 ppm1      0.734 ppm2      6.733 CV     1
 ASSI {  599}
   (  segid "    " and resid 105  and name HG2%)
   (  segid "    " and resid 103  and name HE% )
      3.900     1.900     1.900 peak   599 spectrum    1 weight  0.10000E+01 volume  0.72072E-03 ppm1      0.728 ppm2      6.894 CV     1
 ASSI {  601}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 9   and name HD2 ))
      4.600     2.600     1.400 peak   601 spectrum    1 weight  0.10000E+01 volume  0.28659E-03 ppm1      0.674 ppm2      7.013 CV     1
 ASSI {  603}
   (( segid "    " and resid 87   and name HG  ))
   (  segid "    " and resid 103  and name HD% )
      3.300     1.400     1.400 peak   603 spectrum    1 weight  0.10000E+01 volume  0.50027E-03 ppm1      0.673 ppm2      6.696 CV     1
 ASSI {  606}
   (( segid "    " and resid 87   and name HG  ))
   (( segid "    " and resid 36   and name HE3 ))
      4.800     2.800     1.200 peak   606 spectrum    1 weight  0.10000E+01 volume  0.39301E-03 ppm1      0.658 ppm2      7.073 CV     1
 ASSI {  608}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 83   and name HE1 ))
      4.300     2.300     1.700 peak   608 spectrum    1 weight  0.10000E+01 volume  0.47906E-03 ppm1      0.646 ppm2      7.792 CV     1
 ASSI {  613}
   (  segid "    " and resid 85   and name HG1%)
   (  segid "    " and resid 103  and name HD% )
      4.800     2.800     1.200 peak   613 spectrum    1 weight  0.10000E+01 volume  0.20011E-03 ppm1      0.594 ppm2      6.697 CV     1
 ASSI {  621}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 9   and name HD2 ))
      3.200     1.200     1.200 peak   621 spectrum    1 weight  0.10000E+01 volume  0.16661E-02 ppm1      0.573 ppm2      7.014 CV     1
 ASSI {  622}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 9   and name HE1 ))
      3.600     1.700     1.700 peak   622 spectrum    1 weight  0.10000E+01 volume  0.94114E-03 ppm1      0.542 ppm2      7.725 CV     1
 ASSI {  625}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 36   and name HH2 ))
      4.100     2.200     1.900 peak   625 spectrum    1 weight  0.10000E+01 volume  0.52994E-03 ppm1      0.510 ppm2      6.734 CV     1
 OR {  625}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 36   and name HZ3 ))
 ASSI {  638}
   (  segid "    " and resid 85   and name HG2%)
   (  segid "    " and resid 103  and name HD% )
      4.600     2.700     1.400 peak   638 spectrum    1 weight  0.10000E+01 volume  0.31033E-03 ppm1      0.265 ppm2      6.656 CV     1
 ASSI {  640}
   (( segid "    " and resid 91   and name HB2 ))
   (( segid "    " and resid 96   and name HG1 ))
      4.800     2.800     1.200 peak   640 spectrum    1 weight  0.10000E+01 volume  0.31415E-03 ppm1      0.048 ppm2      1.996 CV     1
 ASSI {  642}
   (  segid "    " and resid 24   and name HG2%)
   (  segid "    " and resid 103  and name HE% )
      3.100     1.200     1.200 peak   642 spectrum    1 weight  0.10000E+01 volume  0.86062E-03 ppm1      0.126 ppm2      6.923 CV     1
 ASSI {  644}
   (  segid "    " and resid 24   and name HG2%)
   (  segid "    " and resid 103  and name HD% )
      3.800     1.800     1.800 peak   644 spectrum    1 weight  0.10000E+01 volume  0.69105E-03 ppm1      0.124 ppm2      6.694 CV     1
 ASSI {  646}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 36   and name HZ2 ))
      3.800     1.800     1.800 peak   646 spectrum    1 weight  0.10000E+01 volume  0.30143E-03 ppm1      0.044 ppm2      6.942 CV     1
 ASSI {  651}
   (  segid "    " and resid 87   and name HD1%)
   (( segid "    " and resid 38   and name HZ  ))
      4.400     2.400     1.600 peak   651 spectrum    1 weight  0.10000E+01 volume  0.35697E-03 ppm1     -0.462 ppm2      7.277 CV     1
 ASSI {  654}
   (  segid "    " and resid 87   and name HD1%)
   (  segid "    " and resid 103  and name HE% )
      3.800     1.800     1.800 peak   654 spectrum    1 weight  0.10000E+01 volume  0.37775E-03 ppm1     -0.461 ppm2      6.925 CV     1
 ASSI {  655}
   (  segid "    " and resid 87   and name HD1%)
   (  segid "    " and resid 73   and name HD% )
      2.800     1.000     1.000 peak   655 spectrum    1 weight  0.10000E+01 volume  0.17848E-02 ppm1     -0.462 ppm2      6.890 CV     1
 ASSI {  657}
   (  segid "    " and resid 87   and name HD1%)
   (  segid "    " and resid 103  and name HD% )
      2.800     2.800     3.200 peak   657 spectrum    1 weight  0.10000E+01 volume  0.16237E-02 ppm1     -0.462 ppm2      6.694 CV     1
 ASSI {  658}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 36   and name HH2 ))
      3.900     1.900     1.900 peak   658 spectrum    1 weight  0.10000E+01 volume  0.44940E-03 ppm1     -0.650 ppm2      6.758 CV     1
 OR {  658}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 36   and name HZ3 ))
 ASSI {  662}
   (  segid "    " and resid 87   and name HD2%)
   (  segid "    " and resid 103  and name HD% )
      5.100     3.200     0.900 peak   662 spectrum    1 weight  0.10000E+01 volume  0.22342E-03 ppm1     -0.809 ppm2      6.695 CV     1
 ASSI {  665}
   (  segid "    " and resid 87   and name HD2%)
   (  segid "    " and resid 57   and name HD% )
      2.200     2.200     3.800 peak   665 spectrum    1 weight  0.10000E+01 volume  0.62321E-03 ppm1     -0.814 ppm2      7.207 CV     1
 ASSI {  666}
   (  segid "    " and resid 87   and name HD2%)
   (( segid "    " and resid 36   and name HE3 ))
      4.400     2.400     1.600 peak   666 spectrum    1 weight  0.10000E+01 volume  0.75888E-03 ppm1     -0.813 ppm2      7.073 CV     1
 ASSI {  668}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 36   and name HZ3 ))
      4.600     2.600     1.400 peak   668 spectrum    1 weight  0.10000E+01 volume  0.36588E-03 ppm1     -1.274 ppm2      6.755 CV     1
 ASSI {  669}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 36   and name HD1 ))
      4.700     2.800     1.300 peak   669 spectrum    1 weight  0.10000E+01 volume  0.31755E-03 ppm1     -1.276 ppm2      7.415 CV     1
 ASSI {  670}
   (  segid "    " and resid 26   and name HD2%)
   (  segid "    " and resid 57   and name HD% )
      4.300     2.300     1.700 peak   670 spectrum    1 weight  0.10000E+01 volume  0.29635E-03 ppm1     -1.276 ppm2      7.207 CV     1
 ASSI {  671}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 36   and name HE3 ))
      4.100     2.100     1.900 peak   671 spectrum    1 weight  0.10000E+01 volume  0.47483E-03 ppm1     -1.274 ppm2      7.073 CV     1
 ASSI {  672}
   (  segid "    " and resid 26   and name HD2%)
   (  segid "    " and resid 103  and name HE% )
      4.000     2.000     2.000 peak   672 spectrum    1 weight  0.10000E+01 volume  0.32263E-03 ppm1     -1.276 ppm2      6.944 CV     1
 ASSI {  675}
   (( segid "    " and resid 93   and name HB1 ))
   (( segid "    " and resid 93   and name HA  ))
      2.800     1.000     1.000 peak   675 spectrum    1 weight  0.10000E+01 volume  0.23868E-02 ppm1      3.311 ppm2      4.548 CV     1
 ASSI {  676}
   (( segid "    " and resid 9   and name HB2 ))
   (( segid "    " and resid 9   and name HA  ))
      2.500     0.800     0.800 peak   676 spectrum    1 weight  0.10000E+01 volume  0.47059E-02 ppm1      3.297 ppm2      4.441 CV     1
 ASSI {  677}
   (( segid "    " and resid 9   and name HB2 ))
   (( segid "    " and resid 5    and name HA  ))
      2.300     2.300     3.700 peak   677 spectrum    1 weight  0.10000E+01 volume  0.22851E-01 ppm1      3.297 ppm2      4.366 CV     1
 ASSI {  679}
   (( segid "    " and resid 9   and name HB2 ))
   (( segid "    " and resid 105  and name HA  ))
      4.800     2.900     1.200 peak   679 spectrum    1 weight  0.10000E+01 volume  0.24377E-03 ppm1      3.277 ppm2      4.304 CV     1
 ASSI {  680}
   (( segid "    " and resid 104  and name HB  ))
   (( segid "    " and resid 86   and name HA  ))
      4.900     3.000     1.100 peak   680 spectrum    1 weight  0.10000E+01 volume  0.23826E-03 ppm1      3.272 ppm2      5.396 CV     1
 ASSI {  682}
   (( segid "    " and resid 104  and name HB  ))
   (( segid "    " and resid 103  and name HA  ))
      4.700     2.800     1.300 peak   682 spectrum    1 weight  0.10000E+01 volume  0.17764E-03 ppm1      3.252 ppm2      4.716 CV     1
 ASSI {  683}
   (( segid "    " and resid 93   and name HB2 ))
   (( segid "    " and resid 93   and name HA  ))
      2.800     1.000     1.000 peak   683 spectrum    1 weight  0.10000E+01 volume  0.24802E-02 ppm1      3.224 ppm2      4.548 CV     1
 ASSI {  684}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HA  ))
      2.200     0.600     0.600 peak   684 spectrum    1 weight  0.10000E+01 volume  0.60626E-02 ppm1      3.211 ppm2      5.570 CV     1
 ASSI {  686}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 78   and name HA  ))
      4.900     3.000     1.100 peak   686 spectrum    1 weight  0.10000E+01 volume  0.21961E-03 ppm1      3.195 ppm2      4.450 CV     1
 ASSI {  688}
   (( segid "    " and resid 106  and name HB1 ))
   (( segid "    " and resid 84   and name HA  ))
      4.400     2.400     1.600 peak   688 spectrum    1 weight  0.10000E+01 volume  0.41972E-03 ppm1      3.178 ppm2      4.473 CV     1
 ASSI {  689}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 37   and name HA  ))
      4.000     2.000     2.000 peak   689 spectrum    1 weight  0.10000E+01 volume  0.84791E-03 ppm1      3.167 ppm2      4.772 CV     1
 ASSI {  691}
   (( segid "    " and resid 106  and name HB1 ))
   (( segid "    " and resid 13   and name HA  ))
      2.900     1.100     1.100 peak   691 spectrum    1 weight  0.10000E+01 volume  0.45787E-02 ppm1      3.148 ppm2      5.334 CV     1
 ASSI {  692}
   (( segid "    " and resid 106  and name HB1 ))
   (( segid "    " and resid 106  and name HA  ))
      2.900     1.100     1.100 peak   692 spectrum    1 weight  0.10000E+01 volume  0.11786E-02 ppm1      3.151 ppm2      5.097 CV     1
 ASSI {  693}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 43   and name HA  ))
      2.300     0.600     0.600 peak   693 spectrum    1 weight  0.10000E+01 volume  0.32856E-02 ppm1      3.148 ppm2      4.878 CV     1
 ASSI {  697}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 58   and name HA  ))
      4.600     2.700     1.400 peak   697 spectrum    1 weight  0.10000E+01 volume  0.29974E-03 ppm1      3.110 ppm2      4.551 CV     1
 ASSI {  698}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 71   and name HA  ))
      3.500     1.500     1.500 peak   698 spectrum    1 weight  0.10000E+01 volume  0.30143E-03 ppm1      3.096 ppm2      5.103 CV     1
 ASSI {  700}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 103  and name HA  ))
      5.900     4.300     0.100 peak   700 spectrum    1 weight  0.10000E+01 volume  0.12931E-03 ppm1      3.090 ppm2      4.714 CV     1
 ASSI {  701}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 73   and name HA  ))
      5.700     4.000     0.300 peak   701 spectrum    1 weight  0.10000E+01 volume  0.11659E-03 ppm1      3.004 ppm2      5.083 CV     1
 ASSI {  703}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HA  ))
      2.900     1.100     1.100 peak   703 spectrum    1 weight  0.10000E+01 volume  0.21961E-02 ppm1      2.991 ppm2      5.326 CV     1
 ASSI {  704}
   (( segid "    " and resid 3    and name HB1 ))
   (( segid "    " and resid 22   and name HA  ))
      2.700     0.900     0.900 peak   704 spectrum    1 weight  0.10000E+01 volume  0.26200E-02 ppm1      2.991 ppm2      4.413 CV     1
 ASSI {  705}
   (( segid "    " and resid 3    and name HB1 ))
   (( segid "    " and resid 3    and name HA  ))
      3.000     1.100     1.100 peak   705 spectrum    1 weight  0.10000E+01 volume  0.22554E-02 ppm1      2.990 ppm2      4.634 CV     1
 ASSI {  708}
   (( segid "    " and resid 83   and name HB1 ))
   (( segid "    " and resid 108  and name HA  ))
      4.500     2.500     1.500 peak   708 spectrum    1 weight  0.10000E+01 volume  0.23784E-03 ppm1      2.894 ppm2      4.815 CV     1
 ASSI {  709}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HA  ))
      2.600     0.800     0.800 peak   709 spectrum    1 weight  0.10000E+01 volume  0.27812E-02 ppm1      2.883 ppm2      5.079 CV     1
 ASSI {  710}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 78   and name HA  ))
      3.600     1.600     2.400 peak   710 spectrum    1 weight  0.10000E+01 volume  0.53418E-03 ppm1      2.884 ppm2      4.452 CV     1
 ASSI {  711}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 52   and name HB  ))
      3.800     1.800     1.800 peak   711 spectrum    1 weight  0.10000E+01 volume  0.52994E-03 ppm1      2.883 ppm2      4.344 CV     1
 ASSI {  713}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 3    and name HA  ))
      2.100     0.600     0.600 peak   713 spectrum    1 weight  0.10000E+01 volume  0.77160E-02 ppm1      2.826 ppm2      4.630 CV     1
 ASSI {  714}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 22   and name HA  ))
      4.100     2.100     1.900 peak   714 spectrum    1 weight  0.10000E+01 volume  0.11828E-02 ppm1      2.825 ppm2      4.413 CV     1
 ASSI {  715}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 81   and name HA1 ))
      4.500     2.500     1.500 peak   715 spectrum    1 weight  0.10000E+01 volume  0.10472E-03 ppm1      2.811 ppm2      4.254 CV     1
 ASSI {  717}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 83   and name HA  ))
      2.900     1.100     1.100 peak   717 spectrum    1 weight  0.10000E+01 volume  0.13863E-02 ppm1      2.793 ppm2      4.907 CV     1
 ASSI {  719}
   (( segid "    " and resid 50   and name HG1 ))
   (( segid "    " and resid 50   and name HA  ))
      4.000     2.000     2.000 peak   719 spectrum    1 weight  0.10000E+01 volume  0.80975E-03 ppm1      2.770 ppm2      4.458 CV     1
 ASSI {  722}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 30   and name HA  ))
      6.000     6.000     0.000 peak   722 spectrum    1 weight  0.10000E+01 volume  0.98357E-05 ppm1      2.717 ppm2      4.705 CV     1
 ASSI {  725}
   (( segid "    " and resid 86   and name HB1 ))
   (( segid "    " and resid 86   and name HA  ))
      2.300     0.600     0.600 peak   725 spectrum    1 weight  0.10000E+01 volume  0.48755E-02 ppm1      2.694 ppm2      5.392 CV     1
 ASSI {  726}
   (( segid "    " and resid 86   and name HB1 ))
   (( segid "    " and resid 104  and name HA  ))
      4.600     2.600     1.400 peak   726 spectrum    1 weight  0.10000E+01 volume  0.29719E-03 ppm1      2.696 ppm2      5.316 CV     1
 ASSI {  730}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 26   and name HA  ))
      4.200     2.200     1.800 peak   730 spectrum    1 weight  0.10000E+01 volume  0.21325E-03 ppm1      2.660 ppm2      4.716 CV     1
 ASSI {  732}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 62   and name HA  ))
      3.100     1.200     1.200 peak   732 spectrum    1 weight  0.10000E+01 volume  0.38665E-02 ppm1      2.654 ppm2      4.258 CV     1
 ASSI {  733}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HA  ))
      3.100     1.200     1.200 peak   733 spectrum    1 weight  0.10000E+01 volume  0.14881E-02 ppm1      2.640 ppm2      5.003 CV     1
 ASSI {  734}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 47   and name HA  ))
      2.300     0.600     0.600 peak   734 spectrum    1 weight  0.10000E+01 volume  0.81823E-02 ppm1      2.625 ppm2      4.459 CV     1
 ASSI {  736}
   (( segid "    " and resid 110  and name HB2 ))
   (( segid "    " and resid 110  and name HA  ))
      2.800     1.000     1.000 peak   736 spectrum    1 weight  0.10000E+01 volume  0.34129E-02 ppm1      2.613 ppm2      4.532 CV     1
 ASSI {  737}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 55   and name HA  ))
      4.600     2.700     1.400 peak   737 spectrum    1 weight  0.10000E+01 volume  0.32729E-03 ppm1      2.594 ppm2      5.577 CV     1
 ASSI {  738}
   (( segid "    " and resid 103  and name HB1 ))
   (( segid "    " and resid 103  and name HA  ))
      3.000     1.100     1.100 peak   738 spectrum    1 weight  0.10000E+01 volume  0.20944E-02 ppm1      2.589 ppm2      4.686 CV     1
 ASSI {  741}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HA  ))
      3.100     1.200     1.200 peak   741 spectrum    1 weight  0.10000E+01 volume  0.11574E-02 ppm1      2.536 ppm2      4.782 CV     1
 ASSI {  742}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 71   and name HA  ))
      4.100     2.100     1.900 peak   742 spectrum    1 weight  0.10000E+01 volume  0.28320E-03 ppm1      2.535 ppm2      5.100 CV     1
 ASSI {  743}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 57   and name HA  ))
      4.700     2.800     1.300 peak   743 spectrum    1 weight  0.10000E+01 volume  0.37436E-03 ppm1      2.534 ppm2      5.000 CV     1
 ASSI {  745}
   (( segid "    " and resid 90   and name HG1 ))
   (( segid "    " and resid 90   and name HA  ))
      4.000     2.000     2.000 peak   745 spectrum    1 weight  0.10000E+01 volume  0.43243E-03 ppm1      2.494 ppm2      4.646 CV     1
 ASSI {  747}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 26   and name HA  ))
      5.100     3.200     0.900 peak   747 spectrum    1 weight  0.10000E+01 volume  0.17212E-03 ppm1      2.426 ppm2      4.713 CV     1
 ASSI {  750}
   (( segid "    " and resid 106  and name HB2 ))
   (( segid "    " and resid 13   and name HA  ))
      2.500     0.800     0.800 peak   750 spectrum    1 weight  0.10000E+01 volume  0.21791E-02 ppm1      2.401 ppm2      5.330 CV     1
 ASSI {  754}
   (( segid "    " and resid 106  and name HB2 ))
   (( segid "    " and resid 84   and name HA  ))
      4.500     2.500     1.500 peak   754 spectrum    1 weight  0.10000E+01 volume  0.32220E-03 ppm1      2.376 ppm2      4.500 CV     1
 ASSI {  756}
   (( segid "    " and resid 101  and name HG1 ))
   (( segid "    " and resid 101  and name HA  ))
      2.700     0.900     0.900 peak   756 spectrum    1 weight  0.10000E+01 volume  0.50027E-02 ppm1      2.327 ppm2      4.320 CV     1
 ASSI {  757}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HA  ))
      2.700     0.900     0.900 peak   757 spectrum    1 weight  0.10000E+01 volume  0.15474E-02 ppm1      2.321 ppm2      5.101 CV     1
 ASSI {  758}
   (( segid "    " and resid 54   and name HG1 ))
   (( segid "    " and resid 54   and name HA  ))
      4.700     2.700     1.300 peak   758 spectrum    1 weight  0.10000E+01 volume  0.26667E-03 ppm1      2.323 ppm2      4.853 CV     1
 ASSI {  760}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 28   and name HA  ))
      5.700     4.100     0.300 peak   760 spectrum    1 weight  0.10000E+01 volume  0.11701E-03 ppm1      2.294 ppm2      4.815 CV     1
 ASSI {  761}
   (( segid "    " and resid 89   and name HB1 ))
   (( segid "    " and resid 100  and name HA  ))
      4.700     2.700     1.300 peak   761 spectrum    1 weight  0.10000E+01 volume  0.23190E-03 ppm1      2.280 ppm2      4.485 CV     1
 ASSI {  762}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 46   and name HA  ))
      2.300     0.700     0.700 peak   762 spectrum    1 weight  0.10000E+01 volume  0.60201E-02 ppm1      2.279 ppm2      4.324 CV     1
 ASSI {  764}
   (( segid "    " and resid 103  and name HB2 ))
   (( segid "    " and resid 103  and name HA  ))
      2.600     0.800     0.800 peak   764 spectrum    1 weight  0.10000E+01 volume  0.16322E-02 ppm1      2.261 ppm2      4.687 CV     1
 ASSI {  769}
   (( segid "    " and resid 60   and name HB1 ))
   (( segid "    " and resid 60   and name HA  ))
      2.400     0.700     0.700 peak   769 spectrum    1 weight  0.10000E+01 volume  0.52994E-02 ppm1      2.225 ppm2      4.432 CV     1
 ASSI {  771}
   (( segid "    " and resid 53   and name HB  ))
   (( segid "    " and resid 53   and name HA  ))
      2.600     0.800     0.800 peak   771 spectrum    1 weight  0.10000E+01 volume  0.27091E-02 ppm1      2.176 ppm2      5.382 CV     1
 ASSI {  773}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 73   and name HA  ))
      3.800     1.800     1.800 peak   773 spectrum    1 weight  0.10000E+01 volume  0.10387E-02 ppm1      2.168 ppm2      5.073 CV     1
 ASSI {  774}
   (( segid "    " and resid 27   and name HG1 ))
   (( segid "    " and resid 26   and name HA  ))
      5.900     4.400     0.100 peak   774 spectrum    1 weight  0.10000E+01 volume  0.11574E-03 ppm1      2.168 ppm2      4.735 CV     1
 ASSI {  778}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HA  ))
      2.400     0.700     0.700 peak   778 spectrum    1 weight  0.10000E+01 volume  0.37223E-02 ppm1      2.110 ppm2      4.766 CV     1
 ASSI {  779}
   (( segid "    " and resid 44   and name HB1 ))
   (( segid "    " and resid 44   and name HA  ))
      2.600     0.800     0.800 peak   779 spectrum    1 weight  0.10000E+01 volume  0.42819E-02 ppm1      2.063 ppm2      4.300 CV     1
 ASSI {  781}
   (( segid "    " and resid 16   and name HB  ))
   (( segid "    " and resid 109  and name HA  ))
      4.600     2.600     1.400 peak   781 spectrum    1 weight  0.10000E+01 volume  0.40742E-03 ppm1      2.045 ppm2      5.512 CV     1
 ASSI {  783}
   (( segid "    " and resid 59   and name HG1 ))
   (( segid "    " and resid 59   and name HA  ))
      3.100     1.200     1.200 peak   783 spectrum    1 weight  0.10000E+01 volume  0.20308E-02 ppm1      2.047 ppm2      4.507 CV     1
 ASSI {  784}
   (( segid "    " and resid 16   and name HB  ))
   (( segid "    " and resid 15   and name HA  ))
      5.400     3.600     0.600 peak   784 spectrum    1 weight  0.10000E+01 volume  0.22173E-03 ppm1      2.040 ppm2      4.978 CV     1
 ASSI {  785}
   (( segid "    " and resid 16   and name HB  ))
   (( segid "    " and resid 16   and name HA  ))
      2.300     0.600     0.600 peak   785 spectrum    1 weight  0.10000E+01 volume  0.63594E-02 ppm1      2.038 ppm2      4.612 CV     1
 ASSI {  786}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 53   and name HA  ))
      3.900     1.900     1.900 peak   786 spectrum    1 weight  0.10000E+01 volume  0.38453E-03 ppm1      2.022 ppm2      5.388 CV     1
 ASSI {  791}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 29   and name HA  ))
      3.900     1.900     1.900 peak   791 spectrum    1 weight  0.10000E+01 volume  0.40149E-03 ppm1      1.994 ppm2      5.578 CV     1
 ASSI {  795}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 58   and name HA  ))
      4.100     2.100     1.900 peak   795 spectrum    1 weight  0.10000E+01 volume  0.81399E-03 ppm1      1.940 ppm2      4.579 CV     1
 ASSI {  796}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 59   and name HA  ))
      3.600     1.600     1.600 peak   796 spectrum    1 weight  0.10000E+01 volume  0.29549E-03 ppm1      1.945 ppm2      4.511 CV     1
 ASSI {  801}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 63   and name HA  ))
      2.600     0.900     0.900 peak   801 spectrum    1 weight  0.10000E+01 volume  0.40699E-02 ppm1      1.901 ppm2      4.234 CV     1
 ASSI {  803}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 55   and name HA  ))
      3.200     3.200     2.800 peak   803 spectrum    1 weight  0.10000E+01 volume  0.67408E-03 ppm1      1.888 ppm2      5.577 CV     1
 ASSI {  804}
   (( segid "    " and resid 50   and name HB1 ))
   (( segid "    " and resid 50   and name HA  ))
      1.800     0.400     0.400 peak   804 spectrum    1 weight  0.10000E+01 volume  0.28405E-01 ppm1      1.880 ppm2      4.452 CV     1
 ASSI {  805}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 5    and name HA  ))
      2.900     1.100     1.100 peak   805 spectrum    1 weight  0.10000E+01 volume  0.18738E-02 ppm1      1.883 ppm2      4.367 CV     1
 ASSI {  809}
   (( segid "    " and resid 78   and name HB1 ))
   (( segid "    " and resid 78   and name HA  ))
      1.300     0.200     0.900 peak   809 spectrum    1 weight  0.10000E+01 volume  0.20308E+00 ppm1      1.819 ppm2      4.458 CV     1
 ASSI {  811}
   (( segid "    " and resid 108  and name HB1 ))
   (( segid "    " and resid 15   and name HA  ))
      2.500     0.800     0.800 peak   811 spectrum    1 weight  0.10000E+01 volume  0.22512E-02 ppm1      1.795 ppm2      4.977 CV     1
 ASSI {  812}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 74   and name HA  ))
      4.300     2.300     1.700 peak   812 spectrum    1 weight  0.10000E+01 volume  0.57658E-03 ppm1      1.787 ppm2      5.335 CV     1
 ASSI {  813}
   (( segid "    " and resid 108  and name HB1 ))
   (( segid "    " and resid 108  and name HA  ))
      2.700     0.900     0.900 peak   813 spectrum    1 weight  0.10000E+01 volume  0.28999E-02 ppm1      1.787 ppm2      4.767 CV     1
 ASSI {  814}
   (( segid "    " and resid 105  and name HB  ))
   (( segid "    " and resid 105  and name HA  ))
      2.700     0.900     0.900 peak   814 spectrum    1 weight  0.10000E+01 volume  0.19247E-02 ppm1      1.781 ppm2      4.305 CV     1
 ASSI {  815}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 28   and name HB1 ))
      6.000     6.000     0.000 peak   815 spectrum    1 weight  0.10000E+01 volume  0.44940E-04 ppm1      1.782 ppm2      4.152 CV     1
 ASSI {  816}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HA  ))
      2.700     0.900     0.900 peak   816 spectrum    1 weight  0.10000E+01 volume  0.23868E-02 ppm1      1.767 ppm2      4.235 CV     1
 ASSI {  817}
   (( segid "    " and resid 90   and name HB1 ))
   (( segid "    " and resid 90   and name HA  ))
      2.500     0.800     0.800 peak   817 spectrum    1 weight  0.10000E+01 volume  0.23868E-02 ppm1      1.727 ppm2      4.647 CV     1
 ASSI {  818}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 26   and name HA  ))
      6.000     4.800     0.000 peak   818 spectrum    1 weight  0.10000E+01 volume  0.45363E-04 ppm1      1.717 ppm2      4.735 CV     1
 ASSI {  820}
   (( segid "    " and resid 102  and name HG1 ))
   (( segid "    " and resid 88   and name HA  ))
      3.000     1.100     1.100 peak   820 spectrum    1 weight  0.10000E+01 volume  0.76312E-03 ppm1      1.705 ppm2      5.165 CV     1
 ASSI {  824}
   (( segid "    " and resid 7    and name HD1 ))
   (( segid "    " and resid 28   and name HA  ))
      4.200     2.200     1.800 peak   824 spectrum    1 weight  0.10000E+01 volume  0.42819E-03 ppm1      1.663 ppm2      4.787 CV     1
 ASSI {  825}
   (( segid "    " and resid 63   and name HD1 ))
   (( segid "    " and resid 65   and name HA  ))
      3.600     3.600     2.400 peak   825 spectrum    1 weight  0.10000E+01 volume  0.14414E-02 ppm1      1.655 ppm2      4.164 CV     1
 ASSI {  826}
   (( segid "    " and resid 63   and name HD1 ))
   (( segid "    " and resid 63   and name HA  ))
      4.100     2.100     1.900 peak   826 spectrum    1 weight  0.10000E+01 volume  0.48331E-03 ppm1      1.646 ppm2      4.234 CV     1
 ASSI {  827}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 3    and name HA  ))
      5.900     4.400     0.100 peak   827 spectrum    1 weight  0.10000E+01 volume  0.29677E-04 ppm1      1.617 ppm2      4.639 CV     1
 ASSI {  828}
   (( segid "    " and resid 21   and name HB1 ))
   (( segid "    " and resid 1    and name HA  ))
      3.700     1.700     1.700 peak   828 spectrum    1 weight  0.10000E+01 volume  0.36375E-03 ppm1      1.616 ppm2      4.492 CV     1
 ASSI {  831}
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 65   and name HA  ))
      2.800     1.000     1.000 peak   831 spectrum    1 weight  0.10000E+01 volume  0.29338E-02 ppm1      1.575 ppm2      4.162 CV     1
 ASSI {  833}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 9   and name HA  ))
      2.200     0.600     0.600 peak   833 spectrum    1 weight  0.10000E+01 volume  0.85215E-02 ppm1      1.568 ppm2      4.460 CV     1
 ASSI {  838}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HA  ))
      3.800     1.800     1.800 peak   838 spectrum    1 weight  0.10000E+01 volume  0.42395E-03 ppm1      1.541 ppm2      4.954 CV     1
 ASSI {  844}
   (( segid "    " and resid 87   and name HB1 ))
   (( segid "    " and resid 86   and name HA  ))
      5.100     3.200     0.900 peak   844 spectrum    1 weight  0.10000E+01 volume  0.43243E-03 ppm1      1.490 ppm2      5.390 CV     1
 ASSI {  845}
   (( segid "    " and resid 87   and name HB1 ))
   (( segid "    " and resid 88   and name HA  ))
      4.400     2.400     1.600 peak   845 spectrum    1 weight  0.10000E+01 volume  0.28532E-03 ppm1      1.486 ppm2      5.165 CV     1
 ASSI {  846}
   (( segid "    " and resid 108  and name HD1 ))
   (( segid "    " and resid 15   and name HA  ))
      3.700     1.700     1.700 peak   846 spectrum    1 weight  0.10000E+01 volume  0.66561E-03 ppm1      1.486 ppm2      4.976 CV     1
 ASSI {  847}
   (( segid "    " and resid 108  and name HD1 ))
   (( segid "    " and resid 108  and name HA  ))
      4.600     2.600     1.400 peak   847 spectrum    1 weight  0.10000E+01 volume  0.22300E-03 ppm1      1.479 ppm2      4.781 CV     1
 ASSI {  849}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 1    and name HA  ))
      3.900     1.900     1.900 peak   849 spectrum    1 weight  0.10000E+01 volume  0.96662E-03 ppm1      1.475 ppm2      4.458 CV     1
 ASSI {  850}
   (  segid "    " and resid 67   and name HB% )
   (( segid "    " and resid 67   and name HA  ))
      2.500     0.800     0.800 peak   850 spectrum    1 weight  0.10000E+01 volume  0.47483E-02 ppm1      1.454 ppm2      4.316 CV     1
 ASSI {  852}
   (( segid "    " and resid 90   and name HB2 ))
   (( segid "    " and resid 90   and name HA  ))
      2.900     1.100     1.100 peak   852 spectrum    1 weight  0.10000E+01 volume  0.25649E-02 ppm1      1.422 ppm2      4.647 CV     1
 ASSI {  853}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 69   and name HA1 ))
      4.300     2.300     1.700 peak   853 spectrum    1 weight  0.10000E+01 volume  0.20605E-03 ppm1      1.421 ppm2      4.428 CV     1
 ASSI {  855}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 28   and name HB1 ))
      3.600     1.600     1.600 peak   855 spectrum    1 weight  0.10000E+01 volume  0.51722E-03 ppm1      1.415 ppm2      4.152 CV     1
 ASSI {  856}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 28   and name HA  ))
      4.400     2.400     1.600 peak   856 spectrum    1 weight  0.10000E+01 volume  0.29804E-03 ppm1      1.404 ppm2      4.767 CV     1
 ASSI {  858}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 30   and name HA  ))
      4.000     2.000     2.000 peak   858 spectrum    1 weight  0.10000E+01 volume  0.35316E-03 ppm1      1.403 ppm2      4.692 CV     1
 ASSI {  859}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 69   and name HA2 ))
      3.100     1.200     1.200 peak   859 spectrum    1 weight  0.10000E+01 volume  0.28617E-02 ppm1      1.399 ppm2      4.237 CV     1
 ASSI {  865}
   (  segid "    " and resid 53   and name HG1%)
   (( segid "    " and resid 52   and name HA  ))
      5.500     3.700     0.500 peak   865 spectrum    1 weight  0.10000E+01 volume  0.11362E-03 ppm1      1.372 ppm2      4.814 CV     1
 ASSI {  866}
   (  segid "    " and resid 53   and name HG1%)
   (( segid "    " and resid 44   and name HA  ))
      3.700     1.700     1.700 peak   866 spectrum    1 weight  0.10000E+01 volume  0.66985E-03 ppm1      1.358 ppm2      4.334 CV     1
 ASSI {  869}
   (  segid "    " and resid 53   and name HG1%)
   (( segid "    " and resid 75   and name HA  ))
      4.800     2.900     1.200 peak   869 spectrum    1 weight  0.10000E+01 volume  0.23232E-03 ppm1      1.340 ppm2      5.166 CV     1
 ASSI {  870}
   (  segid "    " and resid 109  and name HB% )
   (( segid "    " and resid 109  and name HA  ))
      2.300     0.600     0.600 peak   870 spectrum    1 weight  0.10000E+01 volume  0.58930E-02 ppm1      1.325 ppm2      5.513 CV     1
 ASSI {  875}
   (  segid "    " and resid 31   and name HG2%)
   (( segid "    " and resid 35   and name HA  ))
      3.500     1.500     1.500 peak   875 spectrum    1 weight  0.10000E+01 volume  0.38114E-02 ppm1      1.319 ppm2      4.150 CV     1
 ASSI {  879}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 32   and name HB  ))
      2.400     0.700     0.700 peak   879 spectrum    1 weight  0.10000E+01 volume  0.52570E-02 ppm1      1.299 ppm2      4.577 CV     1
 ASSI {  880}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 32   and name HA  ))
      2.800     1.000     1.000 peak   880 spectrum    1 weight  0.10000E+01 volume  0.39894E-02 ppm1      1.299 ppm2      4.422 CV     1
 ASSI {  883}
   (( segid "    " and resid 108  and name HB2 ))
   (( segid "    " and resid 15   and name HA  ))
      4.100     2.100     1.900 peak   883 spectrum    1 weight  0.10000E+01 volume  0.53842E-03 ppm1      1.270 ppm2      4.978 CV     1
 ASSI {  884}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 29   and name HA  ))
      5.100     3.300     0.900 peak   884 spectrum    1 weight  0.10000E+01 volume  0.27091E-03 ppm1      1.262 ppm2      5.577 CV     1
 ASSI {  885}
   (  segid "    " and resid 35   and name HB% )
   (( segid "    " and resid 89   and name HA  ))
      4.600     2.600     1.400 peak   885 spectrum    1 weight  0.10000E+01 volume  0.23106E-03 ppm1      1.263 ppm2      4.456 CV     1
 ASSI {  886}
   (( segid "    " and resid 108  and name HB2 ))
   (( segid "    " and resid 108  and name HA  ))
      2.300     0.600     0.600 peak   886 spectrum    1 weight  0.10000E+01 volume  0.39513E-02 ppm1      1.259 ppm2      4.774 CV     1
 OR {  886}
   (( segid "    " and resid 108  and name HG1 ))
   (( segid "    " and resid 108  and name HA  ))
 ASSI {  888}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 59   and name HA  ))
      4.500     2.500     1.500 peak   888 spectrum    1 weight  0.10000E+01 volume  0.23275E-03 ppm1      1.245 ppm2      4.465 CV     1
 ASSI {  895}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HA  ))
      2.700     0.900     0.900 peak   895 spectrum    1 weight  0.10000E+01 volume  0.26964E-02 ppm1      1.214 ppm2      4.649 CV     1
 ASSI {  898}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 15   and name HA  ))
      2.800     0.900     0.900 peak   898 spectrum    1 weight  0.10000E+01 volume  0.28320E-02 ppm1      1.161 ppm2      4.978 CV     1
 ASSI {  900}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 16   and name HA  ))
      6.000     6.000     0.000 peak   900 spectrum    1 weight  0.10000E+01 volume  0.13651E-05 ppm1      1.160 ppm2      4.615 CV     1
 ASSI {  902}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 6    and name HB  ))
      2.300     0.700     0.700 peak   902 spectrum    1 weight  0.10000E+01 volume  0.67408E-02 ppm1      1.100 ppm2      4.709 CV     1
 ASSI {  903}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 5    and name HA  ))
      3.700     1.700     1.700 peak   903 spectrum    1 weight  0.10000E+01 volume  0.75464E-03 ppm1      1.100 ppm2      4.366 CV     1
 ASSI {  904}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 6    and name HA  ))
      2.200     0.600     0.600 peak   904 spectrum    1 weight  0.10000E+01 volume  0.65289E-02 ppm1      1.098 ppm2      5.165 CV     1
 ASSI {  905}
   (  segid "    " and resid 88   and name HG2%)
   (( segid "    " and resid 90   and name HA  ))
      4.500     2.500     1.500 peak   905 spectrum    1 weight  0.10000E+01 volume  0.60201E-03 ppm1      1.093 ppm2      4.646 CV     1
 ASSI {  906}
   (  segid "    " and resid 88   and name HG2%)
   (( segid "    " and resid 100  and name HA  ))
      4.300     2.400     1.700 peak   906 spectrum    1 weight  0.10000E+01 volume  0.57234E-03 ppm1      1.092 ppm2      4.491 CV     1
 ASSI {  909}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 9   and name HA  ))
      3.600     1.600     1.600 peak   909 spectrum    1 weight  0.10000E+01 volume  0.99209E-03 ppm1      1.082 ppm2      4.435 CV     1
 ASSI {  912}
   (( segid "    " and resid 56   and name HG1 ))
   (( segid "    " and resid 56   and name HA  ))
      4.000     2.000     2.000 peak   912 spectrum    1 weight  0.10000E+01 volume  0.48331E-03 ppm1      0.981 ppm2      4.316 CV     1
 ASSI {  913}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 70   and name HA  ))
      2.400     0.700     0.700 peak   913 spectrum    1 weight  0.10000E+01 volume  0.49603E-02 ppm1      0.972 ppm2      5.079 CV     1
 ASSI {  915}
   (  segid "    " and resid 13   and name HG2%)
   (( segid "    " and resid 14   and name HA  ))
      3.800     1.800     1.800 peak   915 spectrum    1 weight  0.10000E+01 volume  0.50874E-03 ppm1      0.957 ppm2      4.649 CV     1
 ASSI {  916}
   (  segid "    " and resid 13   and name HG2%)
   (( segid "    " and resid 13   and name HA  ))
      2.500     0.800     0.800 peak   916 spectrum    1 weight  0.10000E+01 volume  0.41675E-02 ppm1      0.955 ppm2      5.330 CV     1
 ASSI {  918}
   (  segid "    " and resid 82   and name HG2%)
   (( segid "    " and resid 109  and name HA  ))
      5.400     3.700     0.600 peak   918 spectrum    1 weight  0.10000E+01 volume  0.15008E-03 ppm1      0.949 ppm2      5.516 CV     1
 ASSI {  919}
   (  segid "    " and resid 77   and name HG1%)
   (( segid "    " and resid 78   and name HA  ))
      5.100     3.200     0.900 peak   919 spectrum    1 weight  0.10000E+01 volume  0.85639E-04 ppm1      0.943 ppm2      4.455 CV     1
 ASSI {  921}
   (  segid "    " and resid 82   and name HG2%)
   (( segid "    " and resid 108  and name HA  ))
      3.000     1.100     1.100 peak   921 spectrum    1 weight  0.10000E+01 volume  0.16153E-02 ppm1      0.935 ppm2      4.782 CV     1
 ASSI {  922}
   (  segid "    " and resid 75   and name HG1%)
   (( segid "    " and resid 53   and name HA  ))
      3.400     1.400     1.400 peak   922 spectrum    1 weight  0.10000E+01 volume  0.13354E-02 ppm1      0.923 ppm2      5.384 CV     1
 ASSI {  923}
   (  segid "    " and resid 75   and name HG1%)
   (( segid "    " and resid 75   and name HA  ))
      2.900     1.000     1.000 peak   923 spectrum    1 weight  0.10000E+01 volume  0.18908E-02 ppm1      0.924 ppm2      5.130 CV     1
 ASSI {  924}
   (  segid "    " and resid 65   and name HD2%)
   (( segid "    " and resid 65   and name HA  ))
      4.100     2.100     1.900 peak   924 spectrum    1 weight  0.10000E+01 volume  0.30313E-03 ppm1      0.916 ppm2      4.164 CV     1
 OR {  924}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 65   and name HA  ))
 ASSI {  926}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 76   and name HA  ))
      2.700     0.900     0.900 peak   926 spectrum    1 weight  0.10000E+01 volume  0.26964E-02 ppm1      0.901 ppm2      4.867 CV     1
 ASSI {  929}
   (  segid "    " and resid 5    and name HG1%)
   (( segid "    " and resid 6    and name HA  ))
      3.800     1.800     1.800 peak   929 spectrum    1 weight  0.10000E+01 volume  0.39979E-03 ppm1      0.835 ppm2      5.166 CV     1
 ASSI {  931}
   (  segid "    " and resid 64   and name HD2%)
   (( segid "    " and resid 64   and name HA  ))
      2.600     0.800     0.800 peak   931 spectrum    1 weight  0.10000E+01 volume  0.47059E-02 ppm1      0.835 ppm2      4.364 CV     1
 ASSI {  934}
   (  segid "    " and resid 22   and name HG1%)
   (( segid "    " and resid 109  and name HA  ))
      4.400     2.500     1.600 peak   934 spectrum    1 weight  0.10000E+01 volume  0.32602E-03 ppm1      0.826 ppm2      5.516 CV     1
 ASSI {  936}
   (  segid "    " and resid 105  and name HG1%)
   (( segid "    " and resid 106  and name HA  ))
      3.700     1.700     1.700 peak   936 spectrum    1 weight  0.10000E+01 volume  0.44940E-03 ppm1      0.827 ppm2      5.079 CV     1
 ASSI {  937}
   (  segid "    " and resid 22   and name HG1%)
   (( segid "    " and resid 23   and name HA  ))
      3.800     1.800     1.800 peak   937 spectrum    1 weight  0.10000E+01 volume  0.44515E-03 ppm1      0.825 ppm2      4.963 CV     1
 ASSI {  941}
   (  segid "    " and resid 105  and name HG1%)
   (( segid "    " and resid 13   and name HA  ))
      5.000     3.200     1.000 peak   941 spectrum    1 weight  0.10000E+01 volume  0.26497E-04 ppm1      0.787 ppm2      5.327 CV     1
 ASSI {  946}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 30   and name HA  ))
      3.000     3.000     3.000 peak   946 spectrum    1 weight  0.10000E+01 volume  0.34891E-02 ppm1      0.750 ppm2      4.690 CV     1
 ASSI {  949}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 13   and name HA  ))
      4.000     2.000     2.000 peak   949 spectrum    1 weight  0.10000E+01 volume  0.33916E-03 ppm1      0.730 ppm2      5.328 CV     1
 ASSI {  951}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 90   and name HA  ))
      5.000     3.100     1.000 peak   951 spectrum    1 weight  0.10000E+01 volume  0.27133E-03 ppm1      0.730 ppm2      4.641 CV     1
 ASSI {  952}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 106  and name HA  ))
      6.000     4.500     0.000 peak   952 spectrum    1 weight  0.10000E+01 volume  0.41124E-04 ppm1      0.672 ppm2      5.085 CV     1
 ASSI {  957}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 12   and name HA  ))
      6.000     4.500     0.000 peak   957 spectrum    1 weight  0.10000E+01 volume  0.87762E-04 ppm1      0.667 ppm2      4.364 CV     1
 ASSI {  958}
   (( segid "    " and resid 87   and name HG  ))
   (( segid "    " and resid 86   and name HA  ))
      5.900     4.400     0.100 peak   958 spectrum    1 weight  0.10000E+01 volume  0.34765E-04 ppm1      0.659 ppm2      5.389 CV     1
 ASSI {  960}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 21   and name HA  ))
      3.000     1.100     1.100 peak   960 spectrum    1 weight  0.10000E+01 volume  0.15856E-02 ppm1      0.652 ppm2      4.888 CV     1
 ASSI {  961}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 3    and name HA  ))
      6.000     6.000     0.000 peak   961 spectrum    1 weight  0.10000E+01 volume  0.37053E-04 ppm1      0.654 ppm2      4.640 CV     1
 ASSI {  964}
   (  segid "    " and resid 24   and name HD1%)
   (( segid "    " and resid 24   and name HA  ))
      2.700     0.900     0.900 peak   964 spectrum    1 weight  0.10000E+01 volume  0.16153E-02 ppm1      0.599 ppm2      4.447 CV     1
 ASSI {  966}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 53   and name HA  ))
      4.100     2.100     1.900 peak   966 spectrum    1 weight  0.10000E+01 volume  0.52570E-03 ppm1      0.590 ppm2      5.388 CV     1
 ASSI {  970}
   (  segid "    " and resid 24   and name HD1%)
   (( segid "    " and resid 105  and name HA  ))
      4.300     2.300     1.700 peak   970 spectrum    1 weight  0.10000E+01 volume  0.48331E-03 ppm1      0.584 ppm2      4.304 CV     1
 ASSI {  974}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 6    and name HA  ))
      4.800     2.900     1.200 peak   974 spectrum    1 weight  0.10000E+01 volume  0.23063E-03 ppm1      0.540 ppm2      5.166 CV     1
 ASSI {  977}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 5    and name HA  ))
      2.400     0.700     0.700 peak   977 spectrum    1 weight  0.10000E+01 volume  0.37817E-02 ppm1      0.540 ppm2      4.367 CV     1
 ASSI {  979}
   (  segid "    " and resid 16   and name HG1%)
   (( segid "    " and resid 109  and name HA  ))
      3.700     1.700     1.700 peak   979 spectrum    1 weight  0.10000E+01 volume  0.24929E-02 ppm1      0.512 ppm2      5.513 CV     1
 ASSI {  983}
   (  segid "    " and resid 104  and name HG2%)
   (( segid "    " and resid 106  and name HA  ))
      3.300     1.400     1.400 peak   983 spectrum    1 weight  0.10000E+01 volume  0.10217E-02 ppm1      0.462 ppm2      5.082 CV     1
 ASSI {  985}
   (  segid "    " and resid 104  and name HG2%)
   (( segid "    " and resid 104  and name HA  ))
      2.600     0.800     0.800 peak   985 spectrum    1 weight  0.10000E+01 volume  0.35146E-02 ppm1      0.430 ppm2      5.321 CV     1
 ASSI {  986}
   (  segid "    " and resid 104  and name HG2%)
   (( segid "    " and resid 84   and name HA  ))
      4.400     2.500     1.600 peak   986 spectrum    1 weight  0.10000E+01 volume  0.24674E-03 ppm1      0.429 ppm2      4.501 CV     1
 ASSI {  990}
   (( segid "    " and resid 26   and name HG  ))
   (( segid "    " and resid 26   and name HA  ))
      3.000     1.100     1.100 peak   990 spectrum    1 weight  0.10000E+01 volume  0.28787E-02 ppm1      0.368 ppm2      4.721 CV     1
 ASSI {  991}
   (( segid "    " and resid 26   and name HG  ))
   (( segid "    " and resid 25   and name HA  ))
      5.200     3.400     0.800 peak   991 spectrum    1 weight  0.10000E+01 volume  0.21876E-03 ppm1      0.364 ppm2      4.882 CV     1
 ASSI {  994}
   (  segid "    " and resid 16   and name HG2%)
   (( segid "    " and resid 109  and name HA  ))
      3.400     1.500     1.500 peak   994 spectrum    1 weight  0.10000E+01 volume  0.41378E-03 ppm1      0.262 ppm2      5.512 CV     1
 ASSI {  997}
   (  segid "    " and resid 16   and name HG2%)
   (( segid "    " and resid 16   and name HA  ))
      2.900     1.000     1.000 peak   997 spectrum    1 weight  0.10000E+01 volume  0.44940E-02 ppm1      0.261 ppm2      4.612 CV     1
 ASSI {  999}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 26   and name HA  ))
      4.400     2.400     1.600 peak   999 spectrum    1 weight  0.10000E+01 volume  0.27642E-03 ppm1      0.129 ppm2      4.715 CV     1
 ASSI { 1000}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 6    and name HA  ))
      4.100     2.100     1.900 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.37732E-03 ppm1      0.123 ppm2      5.166 CV     1
 ASSI { 1007}
   (( segid "    " and resid 91   and name HG2 ))
   (( segid "    " and resid 33   and name HA1 ))
      2.800     0.900     0.900 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.86909E-03 ppm1     -0.141 ppm2      4.319 CV     1
 ASSI { 1012}
   (  segid "    " and resid 87   and name HD2%)
   (( segid "    " and resid 37   and name HA  ))
      4.200     2.200     1.800 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.52570E-03 ppm1     -0.812 ppm2      4.783 CV     1
 ASSI { 1017}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 72   and name HA  ))
      2.100     0.500     0.500 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.46211E-02 ppm1      3.006 ppm2      5.704 CV     1
 ASSI { 1018}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HA  ))
      2.700     0.900     0.900 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.31119E-02 ppm1      2.659 ppm2      5.703 CV     1
 ASSI { 1020}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 72   and name HA  ))
      4.300     2.300     1.700 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.56810E-03 ppm1      1.321 ppm2      5.698 CV     1
 ASSI { 1022}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 72   and name HA  ))
      4.500     2.500     1.500 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.51299E-03 ppm1      0.973 ppm2      5.706 CV     1
 ASSI { 1023}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 28   and name HB1 ))
      4.000     2.000     2.000 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.54690E-03 ppm1      2.728 ppm2      4.125 CV     1
 ASSI { 1027}
   (( segid "    " and resid 46   and name HD2 ))
   (( segid "    " and resid 45   and name HA  ))
      3.200     1.200     1.200 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.29592E-02 ppm1      2.666 ppm2      3.566 CV     1
 ASSI { 1030}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 59   and name HD2 ))
      6.000     4.500     0.000 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.14033E-03 ppm1      2.661 ppm2      3.498 CV     1
 ASSI { 1033}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 59   and name HD1 ))
      3.600     1.600     1.600 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.25903E-02 ppm1      2.628 ppm2      3.686 CV     1
 ASSI { 1034}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 59   and name HD2 ))
      4.000     2.000     2.000 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.11108E-02 ppm1      2.584 ppm2      3.505 CV     1
 ASSI { 1036}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HB1 ))
      1.800     0.400     0.400 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.65289E-02 ppm1      2.538 ppm2      3.446 CV     1
 ASSI { 1037}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 28   and name HB1 ))
      3.700     1.700     1.700 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.85639E-03 ppm1      2.535 ppm2      4.118 CV     1
 ASSI { 1039}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 41   and name HA2 ))
      5.300     3.500     0.700 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.22893E-03 ppm1      2.533 ppm2      3.149 CV     1
 ASSI { 1040}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 40   and name HA2 ))
      2.900     1.100     1.100 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.94114E-03 ppm1      2.511 ppm2      3.753 CV     1
 ASSI { 1042}
   (( segid "    " and resid 90   and name HG1 ))
   (( segid "    " and resid 88   and name HB  ))
      3.300     1.400     1.400 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.64441E-03 ppm1      2.495 ppm2      3.835 CV     1
 ASSI { 1045}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 27   and name HD1 ))
      3.100     1.200     1.200 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.78432E-03 ppm1      2.395 ppm2      4.037 CV     1
 ASSI { 1046}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 27   and name HD2 ))
      4.200     2.300     1.800 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.43667E-03 ppm1      2.400 ppm2      3.376 CV     1
 ASSI { 1047}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 34   and name HA  ))
      2.700     0.900     0.900 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.16576E-02 ppm1      2.335 ppm2      3.833 CV     1
 ASSI { 1048}
   (( segid "    " and resid 39   and name HG1 ))
   (( segid "    " and resid 39   and name HA  ))
      3.300     1.400     1.400 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.21748E-02 ppm1      2.330 ppm2      4.037 CV     1
 ASSI { 1049}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 28   and name HB1 ))
      4.100     2.100     1.900 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.81823E-03 ppm1      2.313 ppm2      4.119 CV     1
 ASSI { 1051}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 57   and name HB1 ))
      3.000     1.100     1.100 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.51299E-03 ppm1      2.316 ppm2      3.090 CV     1
 ASSI { 1055}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 46   and name HD1 ))
      4.200     2.200     1.800 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.52994E-03 ppm1      2.280 ppm2      3.203 CV     1
 ASSI { 1056}
   (( segid "    " and resid 60   and name HB1 ))
   (( segid "    " and resid 66   and name HA2 ))
      3.700     1.700     1.700 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.52570E-03 ppm1      2.227 ppm2      3.765 CV     1
 ASSI { 1062}
   (( segid "    " and resid 27   and name HG1 ))
   (( segid "    " and resid 27   and name HD1 ))
      2.200     0.600     0.600 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.36460E-02 ppm1      2.159 ppm2      4.037 CV     1
 ASSI { 1064}
   (( segid "    " and resid 96   and name HB1 ))
   (( segid "    " and resid 96   and name HD1 ))
      3.900     1.900     1.900 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.80975E-03 ppm1      2.149 ppm2      3.548 CV     1
 ASSI { 1066}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HD1 ))
      5.100     3.200     0.900 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.26031E-03 ppm1      2.111 ppm2      3.894 CV     1
 ASSI { 1067}
   (( segid "    " and resid 59   and name HG1 ))
   (( segid "    " and resid 28   and name HB2 ))
      3.600     1.600     1.600 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.71224E-03 ppm1      2.058 ppm2      3.877 CV     1
 ASSI { 1071}
   (( segid "    " and resid 85   and name HB  ))
   (( segid "    " and resid 85   and name HA  ))
      3.100     1.200     1.200 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.97936E-03 ppm1      2.035 ppm2      3.995 CV     1
 ASSI { 1072}
   (( segid "    " and resid 77   and name HB  ))
   (( segid "    " and resid 77   and name HA  ))
      3.300     1.400     1.400 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.54690E-03 ppm1      2.037 ppm2      3.808 CV     1
 ASSI { 1079}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HD2 ))
      3.000     1.100     1.100 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.41208E-02 ppm1      1.968 ppm2      3.372 CV     1
 ASSI { 1083}
   (( segid "    " and resid 48   and name HB1 ))
   (( segid "    " and resid 48   and name HA  ))
      2.600     0.800     0.800 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.54690E-02 ppm1      1.945 ppm2      4.073 CV     1
 ASSI { 1087}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 28   and name HB1 ))
      6.000     5.300     0.000 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.32009E-04 ppm1      1.890 ppm2      4.115 CV     1
 ASSI { 1088}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 9   and name HB2 ))
      4.500     2.500     1.500 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.30736E-03 ppm1      1.881 ppm2      3.293 CV     1
 ASSI { 1089}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 7    and name HA  ))
      3.300     1.400     1.400 peak  1089 spectrum    1 weight  0.10000E+01 volume  0.95810E-03 ppm1      1.858 ppm2      3.914 CV     1
 ASSI { 1091}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 27   and name HD1 ))
      4.100     2.100     1.900 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.78432E-03 ppm1      1.827 ppm2      4.037 CV     1
 ASSI { 1093}
   (  segid "    " and resid 90   and name HE% )
   (( segid "    " and resid 40   and name HA2 ))
      3.700     1.700     1.700 peak  1093 spectrum    1 weight  0.10000E+01 volume  0.62321E-03 ppm1      1.828 ppm2      3.780 CV     1
 ASSI { 1097}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 8    and name HA  ))
      3.600     1.600     1.600 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.11192E-02 ppm1      1.823 ppm2      4.120 CV     1
 ASSI { 1098}
   (( segid "    " and resid 90   and name HG2 ))
   (( segid "    " and resid 100  and name HB2 ))
      3.900     1.900     1.900 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.15008E-03 ppm1      1.802 ppm2      3.724 CV     1
 ASSI { 1099}
   (( segid "    " and resid 90   and name HB1 ))
   (( segid "    " and resid 100  and name HB1 ))
      4.600     2.700     1.400 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.61474E-04 ppm1      1.717 ppm2      3.976 CV     1
 ASSI { 1100}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 27   and name HD1 ))
      1.800     0.400     0.400 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.46635E-02 ppm1      1.714 ppm2      4.004 CV     1
 ASSI { 1102}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 27   and name HD2 ))
      3.400     1.400     1.400 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.36672E-03 ppm1      1.707 ppm2      3.367 CV     1
 ASSI { 1103}
   (( segid "    " and resid 102  and name HG1 ))
   (( segid "    " and resid 102  and name HD1 ))
      2.500     0.800     0.800 peak  1103 spectrum    1 weight  0.10000E+01 volume  0.69528E-02 ppm1      1.698 ppm2      3.140 CV     1
 OR { 1103}
   (( segid "    " and resid 102  and name HB2 ))
   (( segid "    " and resid 102  and name HD1 ))
 ASSI { 1104}
   (( segid "    " and resid 7    and name HD1 ))
   (( segid "    " and resid 27   and name HD1 ))
      5.300     3.500     0.700 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.83095E-04 ppm1      1.691 ppm2      4.028 CV     1
 ASSI { 1107}
   (( segid "    " and resid 92   and name HG2 ))
   (( segid "    " and resid 33   and name HA2 ))
      5.700     4.100     0.300 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.73344E-04 ppm1      1.619 ppm2      3.680 CV     1
 ASSI { 1110}
   (( segid "    " and resid 65   and name HG  ))
   (( segid "    " and resid 28   and name HB1 ))
      3.900     1.900     1.900 peak  1110 spectrum    1 weight  0.10000E+01 volume  0.29804E-03 ppm1      1.567 ppm2      4.118 CV     1
 ASSI { 1117}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 9   and name HB2 ))
      5.000     3.100     1.000 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.31500E-03 ppm1      1.535 ppm2      3.300 CV     1
 ASSI { 1120}
   (( segid "    " and resid 7    and name HG1 ))
   (( segid "    " and resid 7    and name HA  ))
      3.200     1.300     1.300 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.11234E-02 ppm1      1.498 ppm2      3.917 CV     1
 ASSI { 1121}
   (( segid "    " and resid 7    and name HG1 ))
   (( segid "    " and resid 8    and name HA  ))
      4.000     2.000     2.000 peak  1121 spectrum    1 weight  0.10000E+01 volume  0.19841E-03 ppm1      1.476 ppm2      4.121 CV     1
 ASSI { 1122}
   (( segid "    " and resid 90   and name HB2 ))
   (( segid "    " and resid 95   and name HA2 ))
      4.800     2.900     1.200 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.18060E-03 ppm1      1.424 ppm2      3.791 CV     1
 ASSI { 1124}
   (( segid "    " and resid 90   and name HB2 ))
   (( segid "    " and resid 100  and name HB2 ))
      5.300     3.500     0.700 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.16746E-03 ppm1      1.405 ppm2      3.677 CV     1
 ASSI { 1128}
   (  segid "    " and resid 80   and name HB% )
   (( segid "    " and resid 81   and name HA2 ))
      4.700     2.700     1.300 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.18188E-03 ppm1      1.377 ppm2      3.693 CV     1
 ASSI { 1131}
   (( segid "    " and resid 92   and name HB2 ))
   (( segid "    " and resid 92   and name HA  ))
      2.800     1.000     1.000 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.44515E-02 ppm1      1.353 ppm2      3.573 CV     1
 ASSI { 1134}
   (( segid "    " and resid 78   and name HG1 ))
   (( segid "    " and resid 77   and name HA  ))
      3.200     1.300     1.300 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.30949E-02 ppm1      1.324 ppm2      3.797 CV     1
 OR { 1134}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 77   and name HA  ))
 ASSI { 1146}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 15   and name HB  ))
      4.100     2.100     1.900 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.44940E-03 ppm1      1.239 ppm2      4.072 CV     1
 OR { 1146}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 15   and name HB  ))
 ASSI { 1152}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 70   and name HB  ))
      4.700     2.700     1.300 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.26031E-03 ppm1      1.159 ppm2      3.798 CV     1
 ASSI { 1154}
   (  segid "    " and resid 88   and name HG2%)
   (( segid "    " and resid 102  and name HD1 ))
      4.400     2.400     1.600 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.51722E-03 ppm1      1.093 ppm2      3.142 CV     1
 ASSI { 1155}
   (  segid "    " and resid 88   and name HG2%)
   (( segid "    " and resid 100  and name HB1 ))
      3.100     1.200     1.200 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.29889E-02 ppm1      1.092 ppm2      3.982 CV     1
 ASSI { 1158}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 8    and name HA  ))
      2.000     0.500     0.500 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.20605E-01 ppm1      1.078 ppm2      4.095 CV     1
 ASSI { 1163}
   (  segid "    " and resid 77   and name HG1%)
   (( segid "    " and resid 45   and name HB1 ))
      4.300     2.300     1.700 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.28702E-03 ppm1      0.946 ppm2      3.991 CV     1
 ASSI { 1164}
   (  segid "    " and resid 13   and name HG2%)
   (( segid "    " and resid 13   and name HB  ))
      2.100     0.500     0.500 peak  1164 spectrum    1 weight  0.10000E+01 volume  0.13015E-01 ppm1      0.946 ppm2      3.861 CV     1
 ASSI { 1165}
   (  segid "    " and resid 77   and name HG1%)
   (( segid "    " and resid 46   and name HD1 ))
      3.300     3.300     2.700 peak  1165 spectrum    1 weight  0.10000E+01 volume  0.19502E-02 ppm1      0.947 ppm2      3.191 CV     1
 ASSI { 1168}
   (  segid "    " and resid 75   and name HG1%)
   (( segid "    " and resid 45   and name HA  ))
      2.600     0.900     0.900 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.46635E-02 ppm1      0.902 ppm2      3.584 CV     1
 ASSI { 1170}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 30   and name HD1 ))
      4.000     2.000     2.000 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.28490E-03 ppm1      0.892 ppm2      3.936 CV     1
 ASSI { 1177}
   (( segid "    " and resid 91   and name HB1 ))
   (( segid "    " and resid 94   and name HB  ))
      3.500     1.600     1.600 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.15517E-02 ppm1      0.756 ppm2      3.992 CV     1
 ASSI { 1183}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 9   and name HB2 ))
      4.500     2.500     1.500 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.39470E-03 ppm1      0.666 ppm2      3.286 CV     1
 ASSI { 1187}
   (  segid "    " and resid 85   and name HG1%)
   (( segid "    " and resid 85   and name HA  ))
      2.600     0.800     0.800 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.32687E-02 ppm1      0.592 ppm2      3.995 CV     1
 ASSI { 1188}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 77   and name HA  ))
      3.600     1.700     1.700 peak  1188 spectrum    1 weight  0.10000E+01 volume  0.90301E-03 ppm1      0.589 ppm2      3.810 CV     1
 ASSI { 1189}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 9   and name HB1 ))
      3.900     1.900     1.900 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.20053E-03 ppm1      0.572 ppm2      3.451 CV     1
 ASSI { 1191}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 9   and name HB2 ))
      3.500     1.500     1.500 peak  1191 spectrum    1 weight  0.10000E+01 volume  0.69953E-03 ppm1      0.542 ppm2      3.280 CV     1
 ASSI { 1193}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 27   and name HD2 ))
      2.700     0.900     0.900 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.69528E-03 ppm1      0.521 ppm2      3.372 CV     1
 ASSI { 1196}
   (  segid "    " and resid 104  and name HG2%)
   (( segid "    " and resid 104  and name HB  ))
      2.400     0.700     0.700 peak  1196 spectrum    1 weight  0.10000E+01 volume  0.61897E-02 ppm1      0.431 ppm2      3.273 CV     1
 ASSI { 1199}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 27   and name HD1 ))
      5.300     3.500     0.700 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.21834E-03 ppm1      0.390 ppm2      4.027 CV     1
 OR { 1199}
   (( segid "    " and resid 26   and name HG  ))
   (( segid "    " and resid 27   and name HD1 ))
 ASSI { 1201}
   (( segid "    " and resid 26   and name HG  ))
   (( segid "    " and resid 27   and name HD2 ))
      3.300     1.400     1.400 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.18569E-02 ppm1      0.377 ppm2      3.373 CV     1
 ASSI { 1202}
   (( segid "    " and resid 26   and name HG  ))
   (( segid "    " and resid 27   and name HD1 ))
      5.200     3.400     0.800 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.28702E-03 ppm1      0.372 ppm2      4.007 CV     1
 ASSI { 1203}
   (( segid "    " and resid 91   and name HG1 ))
   (( segid "    " and resid 34   and name HA  ))
      3.100     1.200     1.200 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.77160E-03 ppm1      0.320 ppm2      3.829 CV     1
 ASSI { 1204}
   (  segid "    " and resid 85   and name HG2%)
   (( segid "    " and resid 85   and name HA  ))
      2.600     0.900     0.900 peak  1204 spectrum    1 weight  0.10000E+01 volume  0.32220E-02 ppm1      0.265 ppm2      3.995 CV     1
 ASSI { 1206}
   (( segid "    " and resid 91   and name HG2 ))
   (( segid "    " and resid 34   and name HA  ))
      3.900     1.900     1.900 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.61474E-03 ppm1     -0.142 ppm2      3.830 CV     1
 ASSI { 1213}
   (( segid "    " and resid 91   and name HB2 ))
   (( segid "    " and resid 96   and name HB2 ))
      4.000     2.000     2.000 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.61897E-03 ppm1      0.050 ppm2      1.896 CV     1
 ASSI { 1214}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 55   and name HA  ))
      2.400     0.700     0.700 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.35952E-02 ppm1      5.068 ppm2      5.578 CV     1
 ASSI { 1215}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 89   and name HD% )
      3.500     3.500     2.500 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.37350E-03 ppm1      5.007 ppm2      5.581 CV     1
 ASSI { 1217}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 72   and name HA  ))
      1.900     0.400     0.400 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.36757E-02 ppm1      4.886 ppm2      5.702 CV     1
 ASSI { 1219}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 109  and name HA  ))
      4.500     2.500     1.500 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.36588E-03 ppm1      4.528 ppm2      5.511 CV     1
 ASSI { 1220}
   (( segid "    " and resid 89   and name HA  ))
   (  segid "    " and resid 89   and name HD% )
      2.700     2.700     3.300 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.22936E-02 ppm1      4.431 ppm2      5.579 CV     1
 ASSI { 1221}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 55   and name HA  ))
      4.600     2.600     1.400 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.37139E-03 ppm1      4.320 ppm2      5.579 CV     1
 ASSI { 1222}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 89   and name HD% )
      3.000     1.100     1.100 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.24590E-02 ppm1      4.121 ppm2      5.578 CV     1
 ASSI { 1223}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 109  and name HA  ))
      4.800     2.800     1.200 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.27048E-03 ppm1      3.995 ppm2      5.512 CV     1
 ASSI { 1224}
   (( segid "    " and resid 100  and name HB1 ))
   (  segid "    " and resid 89   and name HD% )
      6.000     5.400     0.000 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.31924E-04 ppm1      3.993 ppm2      5.571 CV     1
 ASSI { 1226}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 29   and name HA  ))
      2.400     0.700     0.700 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.36078E-02 ppm1      3.596 ppm2      5.573 CV     1
 ASSI { 1227}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 53   and name HA  ))
      2.300     0.700     0.700 peak  1227 spectrum    1 weight  0.10000E+01 volume  0.39470E-02 ppm1      5.130 ppm2      5.382 CV     1
 ASSI { 1231}
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 102  and name HA  ))
      4.500     2.500     1.500 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.26751E-03 ppm1      4.331 ppm2      5.381 CV     1
 ASSI { 1233}
   (( segid "    " and resid 13   and name HB  ))
   (( segid "    " and resid 13   and name HA  ))
      2.900     1.100     1.100 peak  1233 spectrum    1 weight  0.10000E+01 volume  0.20561E-02 ppm1      3.866 ppm2      5.327 CV     1
 ASSI { 1239}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 76   and name HA  ))
      2.700     0.900     0.900 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.33789E-02 ppm1      4.035 ppm2      4.869 CV     1
 ASSI { 1241}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 103  and name HA  ))
      4.900     3.000     1.100 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.15771E-03 ppm1      3.991 ppm2      4.691 CV     1
 ASSI { 1242}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 110  and name HA  ))
      3.100     1.200     1.200 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.11913E-02 ppm1      3.992 ppm2      4.532 CV     1
 ASSI { 1244}
   (( segid "    " and resid 100  and name HB1 ))
   (( segid "    " and resid 100  and name HA  ))
      2.600     0.800     0.800 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.32729E-02 ppm1      3.984 ppm2      4.489 CV     1
 ASSI { 1245}
   (( segid "    " and resid 97   and name HB1 ))
   (( segid "    " and resid 97   and name HA  ))
      2.700     0.900     0.900 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.33026E-02 ppm1      3.960 ppm2      4.765 CV     1
 ASSI { 1247}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 6    and name HA  ))
      4.400     2.400     1.600 peak  1247 spectrum    1 weight  0.10000E+01 volume  0.27684E-03 ppm1      3.913 ppm2      5.165 CV     1
 ASSI { 1249}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 69   and name HA1 ))
      4.300     2.300     1.700 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.26836E-03 ppm1      3.869 ppm2      4.399 CV     1
 ASSI { 1252}
   (( segid "    " and resid 88   and name HB  ))
   (( segid "    " and resid 88   and name HA  ))
      3.300     1.400     1.400 peak  1252 spectrum    1 weight  0.10000E+01 volume  0.68681E-03 ppm1      3.833 ppm2      5.163 CV     1
 ASSI { 1253}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 90   and name HA  ))
      5.000     3.100     1.000 peak  1253 spectrum    1 weight  0.10000E+01 volume  0.81399E-04 ppm1      3.834 ppm2      4.644 CV     1
 ASSI { 1254}
   (( segid "    " and resid 70   and name HB  ))
   (( segid "    " and resid 70   and name HA  ))
      2.400     0.700     0.700 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.59778E-02 ppm1      3.801 ppm2      5.079 CV     1
 ASSI { 1257}
   (( segid "    " and resid 97   and name HB2 ))
   (( segid "    " and resid 97   and name HA  ))
      2.800     1.000     1.000 peak  1257 spectrum    1 weight  0.10000E+01 volume  0.29380E-02 ppm1      3.796 ppm2      4.765 CV     1
 ASSI { 1258}
   (( segid "    " and resid 70   and name HB  ))
   (( segid "    " and resid 58   and name HA  ))
      4.800     2.900     1.200 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.16704E-03 ppm1      3.785 ppm2      4.579 CV     1
 ASSI { 1263}
   (( segid "    " and resid 2    and name HB1 ))
   (( segid "    " and resid 2    and name HA  ))
      2.400     0.700     0.700 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.63169E-02 ppm1      3.728 ppm2      4.639 CV     1
 ASSI { 1264}
   (( segid "    " and resid 1    and name HB1 ))
   (( segid "    " and resid 1    and name HA  ))
      2.500     0.800     0.800 peak  1264 spectrum    1 weight  0.10000E+01 volume  0.48331E-02 ppm1      3.725 ppm2      4.493 CV     1
 ASSI { 1266}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 58   and name HA  ))
      2.200     0.600     0.600 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.37223E-02 ppm1      3.685 ppm2      4.579 CV     1
 ASSI { 1268}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 28   and name HA  ))
      5.600     3.900     0.400 peak  1268 spectrum    1 weight  0.10000E+01 volume  0.13058E-03 ppm1      3.597 ppm2      4.767 CV     1
 ASSI { 1269}
   (( segid "    " and resid 60   and name HD1 ))
   (( segid "    " and resid 69   and name HA1 ))
      4.000     2.000     2.000 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.28235E-03 ppm1      3.513 ppm2      4.399 CV     1
 ASSI { 1270}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 58   and name HA  ))
      2.900     1.000     1.000 peak  1270 spectrum    1 weight  0.10000E+01 volume  0.41250E-02 ppm1      3.507 ppm2      4.581 CV     1
 ASSI { 1271}
   (( segid "    " and resid 60   and name HD1 ))
   (( segid "    " and resid 59   and name HA  ))
      2.300     0.700     0.700 peak  1271 spectrum    1 weight  0.10000E+01 volume  0.29932E-02 ppm1      3.505 ppm2      4.509 CV     1
 ASSI { 1273}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 43   and name HA  ))
      2.500     0.800     0.800 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.49603E-02 ppm1      3.466 ppm2      4.884 CV     1
 ASSI { 1274}
   (( segid "    " and resid 9   and name HB1 ))
   (( segid "    " and resid 9   and name HA  ))
      2.300     0.700     0.700 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.42269E-02 ppm1      3.458 ppm2      4.441 CV     1
 ASSI { 1275}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 37   and name HA  ))
      3.400     1.400     1.400 peak  1275 spectrum    1 weight  0.10000E+01 volume  0.39682E-03 ppm1      3.440 ppm2      4.782 CV     1
 ASSI { 1276}
   (( segid "    " and resid 27   and name HD2 ))
   (( segid "    " and resid 26   and name HA  ))
      2.600     0.800     0.800 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.15602E-02 ppm1      3.372 ppm2      4.720 CV     1
 ASSI { 1278}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HA  ))
      4.300     2.300     1.700 peak  1278 spectrum    1 weight  0.10000E+01 volume  0.36121E-03 ppm1      4.639 ppm2      4.896 CV     1
 ASSI { 1279}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 15   and name HA  ))
      4.300     2.300     1.700 peak  1279 spectrum    1 weight  0.10000E+01 volume  0.42819E-03 ppm1      4.617 ppm2      4.976 CV     1
 ASSI { 1280}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HA  ))
      4.400     2.400     1.600 peak  1280 spectrum    1 weight  0.10000E+01 volume  0.41039E-03 ppm1      4.614 ppm2      5.100 CV     1
 ASSI { 1282}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 83   and name HA  ))
      4.000     2.000     2.000 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.70376E-03 ppm1      4.507 ppm2      4.908 CV     1
 ASSI { 1283}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 88   and name HA  ))
      4.300     2.300     1.700 peak  1283 spectrum    1 weight  0.10000E+01 volume  0.42819E-03 ppm1      4.442 ppm2      5.166 CV     1
 ASSI { 1285}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 4    and name HA  ))
      3.700     1.700     1.700 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.88183E-03 ppm1      4.429 ppm2      4.893 CV     1
 ASSI { 1286}
   (( segid "    " and resid 42   and name HB  ))
   (( segid "    " and resid 42   and name HA  ))
      2.400     0.700     0.700 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.58930E-02 ppm1      4.401 ppm2      5.098 CV     1
 ASSI { 1287}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 6    and name HA  ))
      4.400     2.400     1.600 peak  1287 spectrum    1 weight  0.10000E+01 volume  0.33916E-03 ppm1      4.365 ppm2      5.166 CV     1
 ASSI { 1289}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 106  and name HA  ))
      4.000     2.000     2.000 peak  1289 spectrum    1 weight  0.10000E+01 volume  0.62321E-03 ppm1      4.309 ppm2      5.101 CV     1
 ASSI { 1290}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 43   and name HA  ))
      4.400     2.400     1.600 peak  1290 spectrum    1 weight  0.10000E+01 volume  0.34426E-03 ppm1      4.299 ppm2      4.889 CV     1
 ASSI { 1292}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 70   and name HA  ))
      2.400     0.700     0.700 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.42099E-02 ppm1      4.843 ppm2      5.079 CV     1
 ASSI { 1293}
   (  segid "    " and resid 16   and name HG2%)
   (  segid "    " and resid 15   and name HG2%)
      4.700     2.700     1.300 peak  1293 spectrum    1 weight  0.10000E+01 volume  0.31415E-03 ppm1      0.261 ppm2      1.163 CV     1
 ASSI { 1295}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 28   and name HA  ))
      2.600     0.900     0.900 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.24844E-02 ppm1      4.117 ppm2      4.782 CV     1
 ASSI { 1298}
   (( segid "    " and resid 69   and name HA2 ))
   (( segid "    " and resid 59   and name HA  ))
      2.100     2.100     3.900 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.69105E-02 ppm1      4.234 ppm2      4.507 CV     1
 ASSI { 1299}
   (( segid "    " and resid 69   and name HA2 ))
   (( segid "    " and resid 69   and name HA1 ))
      1.600     0.300     0.600 peak  1299 spectrum    1 weight  0.10000E+01 volume  0.13354E-01 ppm1      4.237 ppm2      4.400 CV     1
 ASSI { 1300}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 69   and name HA1 ))
      3.300     1.300     1.300 peak  1300 spectrum    1 weight  0.10000E+01 volume  0.37944E-03 ppm1      4.156 ppm2      4.426 CV     1
 ASSI { 1301}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB  ))
      2.600     0.800     0.800 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.43243E-02 ppm1      4.421 ppm2      4.577 CV     1
 ASSI { 1303}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 91   and name HA  ))
      2.700     0.900     0.900 peak  1303 spectrum    1 weight  0.10000E+01 volume  0.14372E-02 ppm1      3.835 ppm2      4.317 CV     1
 ASSI { 1305}
   (( segid "    " and resid 40   and name HA2 ))
   (( segid "    " and resid 40   and name HA1 ))
      1.900     0.500     0.500 peak  1305 spectrum    1 weight  0.10000E+01 volume  0.66137E-02 ppm1      3.785 ppm2      4.272 CV     1
 ASSI { 1306}
   (( segid "    " and resid 95   and name HA2 ))
   (( segid "    " and resid 95   and name HA1 ))
      2.000     0.500     0.500 peak  1306 spectrum    1 weight  0.10000E+01 volume  0.34891E-02 ppm1      3.757 ppm2      4.198 CV     1
 ASSI { 1308}
   (( segid "    " and resid 33   and name HA2 ))
   (( segid "    " and resid 33   and name HA1 ))
      2.600     0.900     0.900 peak  1308 spectrum    1 weight  0.10000E+01 volume  0.10302E-02 ppm1      3.694 ppm2      4.315 CV     1
 ASSI { 1311}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 28   and name HB1 ))
      5.100     3.200     0.900 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.20986E-03 ppm1      3.599 ppm2      4.153 CV     1
 ASSI { 1314}
   (( segid "    " and resid 60   and name HD1 ))
   (( segid "    " and resid 69   and name HA2 ))
      2.900     1.000     1.000 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.11023E-02 ppm1      3.568 ppm2      4.222 CV     1
 ASSI { 1316}
   (( segid "    " and resid 96   and name HD1 ))
   (( segid "    " and resid 95   and name HA1 ))
      4.900     3.000     1.100 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.23487E-03 ppm1      3.518 ppm2      4.198 CV     1
 ASSI { 1318}
   (( segid "    " and resid 9   and name HB1 ))
   (( segid "    " and resid 105  and name HA  ))
      3.700     1.700     1.700 peak  1318 spectrum    1 weight  0.10000E+01 volume  0.86062E-03 ppm1      3.485 ppm2      4.317 CV     1
 ASSI { 1322}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 88   and name HB  ))
      6.000     6.000     0.000 peak  1322 spectrum    1 weight  0.10000E+01 volume  0.79280E-05 ppm1      3.489 ppm2      3.843 CV     1
 ASSI { 1324}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 41   and name HA1 ))
      4.700     2.700     1.300 peak  1324 spectrum    1 weight  0.10000E+01 volume  0.49603E-03 ppm1      3.434 ppm2      3.913 CV     1
 ASSI { 1325}
   (( segid "    " and resid 27   and name HD2 ))
   (( segid "    " and resid 27   and name HD1 ))
      1.800     0.400     0.400 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.33068E-02 ppm1      3.370 ppm2      4.023 CV     1
 ASSI { 1326}
   (( segid "    " and resid 46   and name HD1 ))
   (( segid "    " and resid 45   and name HB1 ))
      6.000     6.000     0.000 peak  1326 spectrum    1 weight  0.10000E+01 volume  0.50874E-05 ppm1      3.189 ppm2      3.991 CV     1
 ASSI { 1327}
   (( segid "    " and resid 41   and name HA2 ))
   (( segid "    " and resid 40   and name HA2 ))
      4.900     3.000     1.100 peak  1327 spectrum    1 weight  0.10000E+01 volume  0.27303E-03 ppm1      3.191 ppm2      3.809 CV     1
 ASSI { 1328}
   (( segid "    " and resid 41   and name HA2 ))
   (( segid "    " and resid 41   and name HA1 ))
      1.800     0.400     0.400 peak  1328 spectrum    1 weight  0.10000E+01 volume  0.13101E-01 ppm1      3.164 ppm2      3.916 CV     1
 ASSI { 1330}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HA  ))
      2.800     1.000     1.000 peak  1330 spectrum    1 weight  0.10000E+01 volume  0.32305E-02 ppm1      3.107 ppm2      3.983 CV     1
 ASSI { 1333}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 77   and name HA  ))
      2.300     0.600     0.600 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.31584E-02 ppm1      2.885 ppm2      3.808 CV     1
 ASSI { 1337}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 28   and name HB2 ))
      5.100     3.200     0.900 peak  1337 spectrum    1 weight  0.10000E+01 volume  0.50451E-03 ppm1      3.633 ppm2      3.855 CV     1
 ASSI { 1338}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 30   and name HD1 ))
      2.000     0.500     0.500 peak  1338 spectrum    1 weight  0.10000E+01 volume  0.51299E-02 ppm1      3.596 ppm2      3.893 CV     1
 ASSI { 1342}
   (( segid "    " and resid 66   and name HA2 ))
   (( segid "    " and resid 66   and name HA1 ))
      2.200     0.600     0.600 peak  1342 spectrum    1 weight  0.10000E+01 volume  0.37436E-02 ppm1      3.763 ppm2      3.992 CV     1
 ASSI { 1343}
   (( segid "    " and resid 100  and name HB2 ))
   (( segid "    " and resid 100  and name HB1 ))
      1.900     0.500     0.500 peak  1343 spectrum    1 weight  0.10000E+01 volume  0.56386E-02 ppm1      3.710 ppm2      3.985 CV     1
 ASSI { 1344}
   (( segid "    " and resid 9   and name HB2 ))
   (( segid "    " and resid 9   and name HB1 ))
      1.600     0.300     0.600 peak  1344 spectrum    1 weight  0.10000E+01 volume  0.80551E-02 ppm1      3.297 ppm2      3.462 CV     1
 ASSI { 1345}
   (( segid "    " and resid 46   and name HD1 ))
   (( segid "    " and resid 45   and name HA  ))
      2.100     0.500     0.500 peak  1345 spectrum    1 weight  0.10000E+01 volume  0.35739E-02 ppm1      3.200 ppm2      3.566 CV     1
 ASSI { 1348}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 59   and name HD1 ))
      1.800     0.400     0.400 peak  1348 spectrum    1 weight  0.10000E+01 volume  0.94966E-02 ppm1      3.496 ppm2      3.693 CV     1
 ASSI { 1349}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HB1 ))
      1.800     0.400     0.400 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.93270E-02 ppm1      2.990 ppm2      3.210 CV     1
 ASSI { 1350}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HB1 ))
      1.500     0.300     0.700 peak  1350 spectrum    1 weight  0.10000E+01 volume  0.24250E-01 ppm1      2.930 ppm2      3.116 CV     1
 ASSI { 1352}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 3    and name HB1 ))
      1.800     0.400     0.400 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.64017E-02 ppm1      2.826 ppm2      2.992 CV     1
 ASSI { 1354}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HB1 ))
      2.100     0.500     0.500 peak  1354 spectrum    1 weight  0.10000E+01 volume  0.32942E-02 ppm1      2.585 ppm2      2.821 CV     1
 ASSI { 1355}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HB1 ))
      2.100     0.600     0.600 peak  1355 spectrum    1 weight  0.10000E+01 volume  0.27261E-02 ppm1      2.706 ppm2      2.888 CV     1
 ASSI { 1357}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HG1 ))
      2.400     0.700     0.700 peak  1357 spectrum    1 weight  0.10000E+01 volume  0.10895E-02 ppm1      2.314 ppm2      2.533 CV     1
 ASSI { 1358}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 46   and name HD2 ))
      4.600     2.700     1.400 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.34382E-03 ppm1      2.294 ppm2      2.629 CV     1
 ASSI { 1361}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 50   and name HG1 ))
      1.900     0.400     0.400 peak  1361 spectrum    1 weight  0.10000E+01 volume  0.79703E-02 ppm1      2.230 ppm2      2.768 CV     1
 ASSI { 1362}
   (( segid "    " and resid 96   and name HB1 ))
   (( segid "    " and resid 99  and name HB1 ))
      4.100     2.100     1.900 peak  1362 spectrum    1 weight  0.10000E+01 volume  0.10217E-02 ppm1      2.173 ppm2      2.628 CV     1
 ASSI { 1363}
   (( segid "    " and resid 27   and name HG1 ))
   (( segid "    " and resid 29   and name HB2 ))
      5.100     3.200     0.900 peak  1363 spectrum    1 weight  0.10000E+01 volume  0.31712E-03 ppm1      2.160 ppm2      2.735 CV     1
 ASSI { 1366}
   (( segid "    " and resid 59   and name HG1 ))
   (( segid "    " and resid 71   and name HG1 ))
      2.400     2.400     3.600 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.56810E-02 ppm1      2.047 ppm2      2.510 CV     1
 ASSI { 1368}
   (  segid "    " and resid 50   and name HE% )
   (( segid "    " and resid 50   and name HG1 ))
      3.500     1.600     1.600 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.72920E-03 ppm1      2.012 ppm2      2.770 CV     1
 ASSI { 1369}
   (( segid "    " and resid 22   and name HB  ))
   (( segid "    " and resid 3    and name HB1 ))
      4.300     2.300     1.700 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.71648E-03 ppm1      1.963 ppm2      3.000 CV     1
 ASSI { 1373}
   (( segid "    " and resid 50   and name HB1 ))
   (( segid "    " and resid 50   and name HG1 ))
      2.700     0.900     0.900 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.45363E-02 ppm1      1.904 ppm2      2.771 CV     1
 ASSI { 1374}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HG1 ))
      5.200     3.400     0.800 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.27642E-04 ppm1      1.899 ppm2      2.544 CV     1
 ASSI { 1375}
   (( segid "    " and resid 25   and name HG1 ))
   (( segid "    " and resid 72   and name HB1 ))
      4.400     2.400     1.600 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.23487E-03 ppm1      1.859 ppm2      3.014 CV     1
 ASSI { 1378}
   (( segid "    " and resid 78   and name HB1 ))
   (( segid "    " and resid 78   and name HE1 ))
      4.300     2.300     1.700 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.37986E-03 ppm1      1.819 ppm2      2.894 CV     1
 ASSI { 1382}
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 73   and name HB2 ))
      2.700     0.900     0.900 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.13948E-02 ppm1      1.766 ppm2      2.592 CV     1
 ASSI { 1383}
   (( segid "    " and resid 90   and name HG2 ))
   (( segid "    " and resid 90   and name HG1 ))
      1.900     0.500     0.500 peak  1383 spectrum    1 weight  0.10000E+01 volume  0.52570E-02 ppm1      1.739 ppm2      2.492 CV     1
 ASSI { 1387}
   (( segid "    " and resid 7    and name HD1 ))
   (( segid "    " and resid 29   and name HB2 ))
      3.900     1.900     1.900 peak  1387 spectrum    1 weight  0.10000E+01 volume  0.89027E-03 ppm1      1.663 ppm2      2.741 CV     1
 ASSI { 1391}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 72   and name HB1 ))
      5.900     4.300     0.100 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.11065E-03 ppm1      1.589 ppm2      3.016 CV     1
 ASSI { 1392}
   (( segid "    " and resid 78   and name HD1 ))
   (( segid "    " and resid 78   and name HE1 ))
      2.000     0.500     0.500 peak  1392 spectrum    1 weight  0.10000E+01 volume  0.14160E-01 ppm1      1.567 ppm2      2.856 CV     1
 ASSI { 1398}
   (( segid "    " and resid 56   and name HD1 ))
   (( segid "    " and resid 72   and name HB1 ))
      3.300     1.400     1.400 peak  1398 spectrum    1 weight  0.10000E+01 volume  0.22767E-02 ppm1      1.479 ppm2      3.015 CV     1
 ASSI { 1399}
   (( segid "    " and resid 7    and name HG1 ))
   (( segid "    " and resid 10   and name HB2 ))
      4.000     2.000     2.000 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.39385E-03 ppm1      1.470 ppm2      2.896 CV     1
 ASSI { 1401}
   (( segid "    " and resid 87   and name HB1 ))
   (( segid "    " and resid 103  and name HB1 ))
      4.400     2.400     1.600 peak  1401 spectrum    1 weight  0.10000E+01 volume  0.56810E-03 ppm1      1.458 ppm2      2.572 CV     1
 ASSI { 1404}
   (( segid "    " and resid 90   and name HB2 ))
   (( segid "    " and resid 90   and name HG1 ))
      2.900     1.000     1.000 peak  1404 spectrum    1 weight  0.10000E+01 volume  0.11320E-02 ppm1      1.422 ppm2      2.491 CV     1
 ASSI { 1405}
   (( segid "    " and resid 63   and name HG1 ))
   (( segid "    " and resid 63   and name HE1 ))
      4.000     2.000     2.000 peak  1405 spectrum    1 weight  0.10000E+01 volume  0.50874E-03 ppm1      1.408 ppm2      2.958 CV     1
 ASSI { 1406}
   (  segid "    " and resid 80   and name HB% )
   (( segid "    " and resid 110  and name HB1 ))
      4.600     2.600     1.400 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.24208E-03 ppm1      1.405 ppm2      2.713 CV     1
 ASSI { 1408}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 73   and name HB2 ))
      6.000     4.800     0.000 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.60201E-04 ppm1      1.380 ppm2      2.572 CV     1
 ASSI { 1410}
   (( segid "    " and resid 78   and name HG1 ))
   (( segid "    " and resid 78   and name HE1 ))
      3.400     1.500     1.500 peak  1410 spectrum    1 weight  0.10000E+01 volume  0.13779E-02 ppm1      1.352 ppm2      2.892 CV     1
 ASSI { 1412}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 72   and name HB1 ))
      3.100     1.200     1.200 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.20689E-03 ppm1      1.309 ppm2      2.995 CV     1
 ASSI { 1413}
   (  segid "    " and resid 31   and name HG2%)
   (( segid "    " and resid 29   and name HB2 ))
      3.200     1.300     1.300 peak  1413 spectrum    1 weight  0.10000E+01 volume  0.83519E-03 ppm1      1.299 ppm2      2.744 CV     1
 ASSI { 1421}
   (  segid "    " and resid 88   and name HG2%)
   (( segid "    " and resid 90   and name HG1 ))
      3.600     1.600     1.600 peak  1421 spectrum    1 weight  0.10000E+01 volume  0.61049E-03 ppm1      1.094 ppm2      2.500 CV     1
 ASSI { 1423}
   (( segid "    " and resid 107  and name HB2 ))
   (( segid "    " and resid 83   and name HB1 ))
      3.700     1.700     1.700 peak  1423 spectrum    1 weight  0.10000E+01 volume  0.28405E-03 ppm1      1.011 ppm2      2.900 CV     1
 ASSI { 1424}
   (( segid "    " and resid 56   and name HG1 ))
   (( segid "    " and resid 56   and name HE1 ))
      3.100     1.200     1.200 peak  1424 spectrum    1 weight  0.10000E+01 volume  0.24674E-02 ppm1      0.978 ppm2      2.582 CV     1
 ASSI { 1427}
   (  segid "    " and resid 82   and name HG2%)
   (( segid "    " and resid 83   and name HB2 ))
      3.900     1.900     1.900 peak  1427 spectrum    1 weight  0.10000E+01 volume  0.79280E-03 ppm1      0.950 ppm2      2.806 CV     1
 ASSI { 1429}
   (  segid "    " and resid 77   and name HG1%)
   (( segid "    " and resid 51   and name HB2 ))
      6.000     5.800     0.000 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.34129E-04 ppm1      0.945 ppm2      2.710 CV     1
 ASSI { 1430}
   (  segid "    " and resid 77   and name HG1%)
   (( segid "    " and resid 47   and name HB1 ))
      4.000     2.000     2.000 peak  1430 spectrum    1 weight  0.10000E+01 volume  0.63594E-03 ppm1      0.923 ppm2      2.583 CV     1
 ASSI { 1433}
   (  segid "    " and resid 22   and name HG1%)
   (( segid "    " and resid 3    and name HB1 ))
      3.200     1.300     1.300 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.15771E-02 ppm1      0.829 ppm2      2.993 CV     1
 ASSI { 1434}
   (  segid "    " and resid 22   and name HG1%)
   (( segid "    " and resid 3    and name HB2 ))
      3.500     1.500     1.500 peak  1434 spectrum    1 weight  0.10000E+01 volume  0.38114E-02 ppm1      0.829 ppm2      2.832 CV     1
 ASSI { 1435}
   (  segid "    " and resid 77   and name HG2%)
   (( segid "    " and resid 51   and name HB1 ))
      3.800     1.800     1.800 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.77160E-03 ppm1      0.825 ppm2      2.889 CV     1
 ASSI { 1436}
   (  segid "    " and resid 77   and name HG2%)
   (( segid "    " and resid 51   and name HB2 ))
      4.700     2.800     1.300 peak  1436 spectrum    1 weight  0.10000E+01 volume  0.17679E-03 ppm1      0.826 ppm2      2.708 CV     1
 ASSI { 1437}
   (  segid "    " and resid 94   and name HG2%)
   (( segid "    " and resid 91   and name HD1 ))
      5.500     3.800     0.500 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.47906E-04 ppm1      0.825 ppm2      2.602 CV     1
 ASSI { 1438}
   (  segid "    " and resid 77   and name HG2%)
   (( segid "    " and resid 47   and name HB1 ))
      4.100     4.100     1.900 peak  1438 spectrum    1 weight  0.10000E+01 volume  0.40191E-03 ppm1      0.823 ppm2      2.563 CV     1
 ASSI { 1442}
   (  segid "    " and resid 18   and name HG1%)
   (( segid "    " and resid 3    and name HB1 ))
      3.900     1.900     1.900 peak  1442 spectrum    1 weight  0.10000E+01 volume  0.21070E-02 ppm1      0.730 ppm2      2.975 CV     1
 ASSI { 1443}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 3    and name HB1 ))
      2.900     2.900     3.100 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.71648E-03 ppm1      0.659 ppm2      2.994 CV     1
 ASSI { 1444}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 3    and name HB2 ))
      5.100     3.200     0.900 peak  1444 spectrum    1 weight  0.10000E+01 volume  0.27939E-03 ppm1      0.664 ppm2      2.815 CV     1
 ASSI { 1446}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 83   and name HB1 ))
      4.400     2.400     1.600 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.30313E-03 ppm1      0.588 ppm2      2.887 CV     1
 ASSI { 1455}
   (  segid "    " and resid 16   and name HG2%)
   (( segid "    " and resid 83   and name HB1 ))
      3.900     1.900     1.900 peak  1455 spectrum    1 weight  0.10000E+01 volume  0.36757E-03 ppm1      0.264 ppm2      2.901 CV     1
 ASSI { 1460}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 103  and name HB1 ))
      4.800     2.900     1.200 peak  1460 spectrum    1 weight  0.10000E+01 volume  0.19587E-03 ppm1      0.018 ppm2      2.563 CV     1
 ASSI { 1463}
   (  segid "    " and resid 13   and name HG2%)
   (( segid "    " and resid 106  and name HB2 ))
      2.400     0.700     0.700 peak  1463 spectrum    1 weight  0.10000E+01 volume  0.58081E-02 ppm1      0.941 ppm2      2.399 CV     1
 ASSI { 1464}
   (  segid "    " and resid 105  and name HG1%)
   (( segid "    " and resid 106  and name HB2 ))
      5.900     4.400     0.100 peak  1464 spectrum    1 weight  0.10000E+01 volume  0.73768E-04 ppm1      0.829 ppm2      2.357 CV     1
 ASSI { 1467}
   (  segid "    " and resid 85   and name HG2%)
   (( segid "    " and resid 106  and name HB2 ))
      4.800     2.900     1.200 peak  1467 spectrum    1 weight  0.10000E+01 volume  0.19121E-03 ppm1      0.263 ppm2      2.356 CV     1
 ASSI { 1469}
   (( segid "    " and resid 43   and name HD1 ))
   (( segid "    " and resid 43   and name HB1 ))
      3.100     1.200     1.200 peak  1469 spectrum    1 weight  0.10000E+01 volume  0.15305E-02 ppm1      1.665 ppm2      2.174 CV     1
 ASSI { 1470}
   (( segid "    " and resid 65   and name HG  ))
   (( segid "    " and resid 60   and name HB1 ))
      3.800     1.800     1.800 peak  1470 spectrum    1 weight  0.10000E+01 volume  0.41463E-03 ppm1      1.571 ppm2      2.228 CV     1
 OR { 1470}
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 60   and name HB1 ))
 ASSI { 1474}
   (  segid "    " and resid 67   and name HB% )
   (( segid "    " and resid 60   and name HB1 ))
      4.700     2.800     1.300 peak  1474 spectrum    1 weight  0.10000E+01 volume  0.19968E-03 ppm1      1.433 ppm2      2.173 CV     1
 ASSI { 1478}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 34   and name HB1 ))
      1.400     1.400     4.600 peak  1478 spectrum    1 weight  0.10000E+01 volume  0.49179E+00 ppm1      1.317 ppm2      2.360 CV     1
 ASSI { 1481}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 103  and name HB2 ))
      4.100     2.100     1.900 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.58081E-03 ppm1      1.243 ppm2      2.288 CV     1
 ASSI { 1482}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 60   and name HB1 ))
      4.100     2.100     1.900 peak  1482 spectrum    1 weight  0.10000E+01 volume  0.33153E-03 ppm1      1.239 ppm2      2.212 CV     1
 ASSI { 1483}
   (  segid "    " and resid 35   and name HB% )
   (( segid "    " and resid 34   and name HB1 ))
      5.000     3.100     1.000 peak  1483 spectrum    1 weight  0.10000E+01 volume  0.12718E-03 ppm1      1.225 ppm2      2.325 CV     1
 ASSI { 1484}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HG1 ))
      2.000     0.500     0.500 peak  1484 spectrum    1 weight  0.10000E+01 volume  0.68681E-02 ppm1      2.256 ppm2      2.412 CV     1
 ASSI { 1485}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HB1 ))
      2.000     0.500     0.500 peak  1485 spectrum    1 weight  0.10000E+01 volume  0.54267E-02 ppm1      1.953 ppm2      2.401 CV     1
 ASSI { 1486}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 44   and name HB1 ))
      1.800     0.400     0.400 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.91575E-02 ppm1      1.841 ppm2      2.097 CV     1
 ASSI { 1487}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HB1 ))
      1.200     0.200     1.000 peak  1487 spectrum    1 weight  0.10000E+01 volume  0.14499E+00 ppm1      1.787 ppm2      2.108 CV     1
 ASSI { 1488}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 27   and name HG1 ))
      1.700     0.400     0.500 peak  1488 spectrum    1 weight  0.10000E+01 volume  0.61474E-02 ppm1      2.032 ppm2      2.164 CV     1
 ASSI { 1489}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HB1 ))
      1.700     0.400     0.500 peak  1489 spectrum    1 weight  0.10000E+01 volume  0.18103E-01 ppm1      1.967 ppm2      2.156 CV     1
 ASSI { 1491}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 60   and name HB1 ))
      2.100     0.500     0.500 peak  1491 spectrum    1 weight  0.10000E+01 volume  0.48755E-02 ppm1      1.952 ppm2      2.220 CV     1
 ASSI { 1493}
   (( segid "    " and resid 96   and name HB2 ))
   (( segid "    " and resid 96   and name HB1 ))
      3.400     3.400     2.600 peak  1493 spectrum    1 weight  0.10000E+01 volume  0.17340E-03 ppm1      1.881 ppm2      2.171 CV     1
 ASSI { 1494}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 44   and name HG1 ))
      2.700     0.900     0.900 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.22936E-02 ppm1      1.846 ppm2      2.327 CV     1
 ASSI { 1495}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HB1 ))
      2.100     0.500     0.500 peak  1495 spectrum    1 weight  0.10000E+01 volume  0.50874E-02 ppm1      1.843 ppm2      2.276 CV     1
 ASSI { 1496}
   (( segid "    " and resid 107  and name HB2 ))
   (( segid "    " and resid 107  and name HB1 ))
      1.900     0.500     0.500 peak  1496 spectrum    1 weight  0.10000E+01 volume  0.51722E-02 ppm1      1.008 ppm2      1.914 CV     1
 ASSI { 1498}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 25   and name HG1 ))
      3.100     1.200     1.200 peak  1498 spectrum    1 weight  0.10000E+01 volume  0.10302E-02 ppm1      0.972 ppm2      1.830 CV     1
 ASSI { 1499}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 25   and name HG2 ))
      3.000     1.100     1.100 peak  1499 spectrum    1 weight  0.10000E+01 volume  0.14202E-02 ppm1      0.975 ppm2      1.163 CV     1
 ASSI { 1500}
   (  segid "    " and resid 82   and name HG2%)
   (( segid "    " and resid 108  and name HB1 ))
      4.000     2.000     2.000 peak  1500 spectrum    1 weight  0.10000E+01 volume  0.44092E-03 ppm1      0.952 ppm2      1.794 CV     1
 ASSI { 1501}
   (  segid "    " and resid 82   and name HG2%)
   (( segid "    " and resid 108  and name HD1 ))
      5.200     3.400     0.800 peak  1501 spectrum    1 weight  0.10000E+01 volume  0.15771E-03 ppm1      0.955 ppm2      1.483 CV     1
 ASSI { 1502}
   (  segid "    " and resid 82   and name HG2%)
   (( segid "    " and resid 108  and name HB2 ))
      2.800     0.900     0.900 peak  1502 spectrum    1 weight  0.10000E+01 volume  0.18230E-02 ppm1      0.956 ppm2      1.269 CV     1
 OR { 1502}
   (  segid "    " and resid 82   and name HG2%)
   (( segid "    " and resid 108  and name HG1 ))
 ASSI { 1503}
   (  segid "    " and resid 77   and name HG1%)
   (( segid "    " and resid 77   and name HB  ))
      2.300     0.600     0.600 peak  1503 spectrum    1 weight  0.10000E+01 volume  0.67833E-02 ppm1      0.944 ppm2      2.037 CV     1
 ASSI { 1506}
   (  segid "    " and resid 64   and name HD1%)
   (( segid "    " and resid 63   and name HD1 ))
      3.800     1.800     1.800 peak  1506 spectrum    1 weight  0.10000E+01 volume  0.50874E-03 ppm1      0.917 ppm2      1.658 CV     1
 ASSI { 1509}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 21   and name HB2 ))
      4.000     2.000     2.000 peak  1509 spectrum    1 weight  0.10000E+01 volume  0.20858E-03 ppm1      0.893 ppm2      1.502 CV     1
 ASSI { 1510}
   (  segid "    " and resid 65   and name HD1%)
   (  segid "    " and resid 67   and name HB% )
      3.600     1.600     1.600 peak  1510 spectrum    1 weight  0.10000E+01 volume  0.60201E-03 ppm1      0.891 ppm2      1.422 CV     1
 ASSI { 1511}
   (  segid "    " and resid 64   and name HD2%)
   (( segid "    " and resid 63   and name HD1 ))
      4.500     2.500     1.500 peak  1511 spectrum    1 weight  0.10000E+01 volume  0.20647E-03 ppm1      0.860 ppm2      1.655 CV     1
 OR { 1511}
   (  segid "    " and resid 64   and name HD1%)
   (( segid "    " and resid 63   and name HD1 ))
 ASSI { 1513}
   (  segid "    " and resid 5    and name HG1%)
   (( segid "    " and resid 5    and name HB  ))
      2.300     0.600     0.600 peak  1513 spectrum    1 weight  0.10000E+01 volume  0.35655E-02 ppm1      0.835 ppm2      1.880 CV     1
 ASSI { 1514}
   (  segid "    " and resid 22   and name HG1%)
   (( segid "    " and resid 22   and name HB  ))
      2.500     0.800     0.800 peak  1514 spectrum    1 weight  0.10000E+01 volume  0.35485E-02 ppm1      0.829 ppm2      1.965 CV     1
 ASSI { 1515}
   (  segid "    " and resid 77   and name HG2%)
   (( segid "    " and resid 77   and name HB  ))
      2.500     0.800     0.800 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.40446E-02 ppm1      0.826 ppm2      2.038 CV     1
 ASSI { 1518}
   (  segid "    " and resid 64   and name HD2%)
   (( segid "    " and resid 64   and name HG  ))
      3.300     1.400     1.400 peak  1518 spectrum    1 weight  0.10000E+01 volume  0.10047E-02 ppm1      0.820 ppm2      1.554 CV     1
 ASSI { 1519}
   (  segid "    " and resid 94   and name HG2%)
   (( segid "    " and resid 90   and name HB2 ))
      5.600     4.000     0.400 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.12592E-03 ppm1      0.814 ppm2      1.422 CV     1
 ASSI { 1520}
   (  segid "    " and resid 105  and name HG1%)
   (( segid "    " and resid 105  and name HB  ))
      2.400     0.700     0.700 peak  1520 spectrum    1 weight  0.10000E+01 volume  0.32390E-02 ppm1      0.787 ppm2      1.779 CV     1
 ASSI { 1521}
   (  segid "    " and resid 105  and name HG1%)
   (  segid "    " and resid 12   and name HB% )
      5.000     3.100     1.000 peak  1521 spectrum    1 weight  0.10000E+01 volume  0.19121E-03 ppm1      0.789 ppm2      1.537 CV     1
 ASSI { 1522}
   (( segid "    " and resid 91   and name HB1 ))
   (( segid "    " and resid 90   and name HB2 ))
      3.600     1.600     1.600 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.20986E-02 ppm1      0.756 ppm2      1.405 CV     1
 ASSI { 1523}
   (  segid "    " and resid 18   and name HG1%)
   (( segid "    " and resid 18   and name HB  ))
      2.000     0.500     0.500 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.11871E-01 ppm1      0.749 ppm2      1.852 CV     1
 ASSI { 1525}
   (  segid "    " and resid 18   and name HG1%)
   (  segid "    " and resid 109  and name HB% )
      2.800     1.000     1.000 peak  1525 spectrum    1 weight  0.10000E+01 volume  0.29423E-02 ppm1      0.752 ppm2      1.324 CV     1
 ASSI { 1526}
   (  segid "    " and resid 18   and name HG1%)
   (( segid "    " and resid 16   and name HB  ))
      2.700     0.900     0.900 peak  1526 spectrum    1 weight  0.10000E+01 volume  0.34086E-02 ppm1      0.728 ppm2      2.018 CV     1
 ASSI { 1527}
   (( segid "    " and resid 91   and name HB1 ))
   (( segid "    " and resid 92   and name HG2 ))
      3.500     1.600     1.600 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.98779E-03 ppm1      0.729 ppm2      1.614 CV     1
 ASSI { 1529}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 16   and name HB  ))
      2.900     1.000     1.000 peak  1529 spectrum    1 weight  0.10000E+01 volume  0.17509E-02 ppm1      0.674 ppm2      2.035 CV     1
 ASSI { 1530}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 105  and name HB  ))
      2.500     0.800     0.800 peak  1530 spectrum    1 weight  0.10000E+01 volume  0.25183E-02 ppm1      0.676 ppm2      1.779 CV     1
 ASSI { 1532}
   (  segid "    " and resid 105  and name HG2%)
   (  segid "    " and resid 12   and name HB% )
      2.400     0.700     0.700 peak  1532 spectrum    1 weight  0.10000E+01 volume  0.33832E-02 ppm1      0.666 ppm2      1.543 CV     1
 ASSI { 1534}
   (( segid "    " and resid 87   and name HG  ))
   (( segid "    " and resid 87   and name HB2 ))
      3.200     1.300     1.300 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.44940E-03 ppm1      0.662 ppm2      1.225 CV     1
 ASSI { 1540}
   (  segid "    " and resid 24   and name HD1%)
   (( segid "    " and resid 5    and name HB  ))
      2.300     0.600     0.600 peak  1540 spectrum    1 weight  0.10000E+01 volume  0.32348E-02 ppm1      0.596 ppm2      1.884 CV     1
 ASSI { 1547}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 5    and name HB  ))
      2.300     0.700     0.700 peak  1547 spectrum    1 weight  0.10000E+01 volume  0.40911E-02 ppm1      0.541 ppm2      1.883 CV     1
 ASSI { 1548}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 71   and name HB1 ))
      4.000     2.000     2.000 peak  1548 spectrum    1 weight  0.10000E+01 volume  0.12295E-02 ppm1      0.521 ppm2      1.966 CV     1
 ASSI { 1551}
   (  segid "    " and resid 16   and name HG1%)
   (  segid "    " and resid 15   and name HG2%)
      4.800     2.900     1.200 peak  1551 spectrum    1 weight  0.10000E+01 volume  0.19757E-03 ppm1      0.514 ppm2      1.162 CV     1
 ASSI { 1553}
   (  segid "    " and resid 104  and name HG2%)
   (( segid "    " and resid 105  and name HB  ))
      5.500     3.800     0.500 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.10091E-03 ppm1      0.437 ppm2      1.776 CV     1
 ASSI { 1554}
   (  segid "    " and resid 104  and name HG2%)
   (  segid "    " and resid 84   and name HB% )
      3.400     1.500     1.500 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.12507E-02 ppm1      0.431 ppm2      1.349 CV     1
 ASSI { 1555}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 27   and name HG2 ))
      5.000     3.100     1.000 peak  1555 spectrum    1 weight  0.10000E+01 volume  0.31669E-03 ppm1      0.392 ppm2      2.051 CV     1
 OR { 1555}
   (( segid "    " and resid 26   and name HG  ))
   (( segid "    " and resid 27   and name HG2 ))
 ASSI { 1556}
   (( segid "    " and resid 26   and name HG  ))
   (( segid "    " and resid 27   and name HG2 ))
      4.900     3.000     1.100 peak  1556 spectrum    1 weight  0.10000E+01 volume  0.39089E-03 ppm1      0.362 ppm2      2.030 CV     1
 ASSI { 1559}
   (  segid "    " and resid 16   and name HG2%)
   (( segid "    " and resid 107  and name HB1 ))
      4.500     2.600     1.500 peak  1559 spectrum    1 weight  0.10000E+01 volume  0.26751E-03 ppm1      0.259 ppm2      1.915 CV     1
 ASSI { 1564}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 106  and name HN  ))
      2.900     1.100     1.100 peak  1564 spectrum    1 weight  0.11000E+01 volume  0.18908E-02 ppm1      5.329 ppm2      8.653 CV     1
 ASSI { 1565}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      3.200     1.300     1.300 peak  1565 spectrum    1 weight  0.11000E+01 volume  0.94544E-03 ppm1      4.649 ppm2      9.243 CV     1
 ASSI { 1566}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 108  and name HN  ))
      4.000     2.000     2.000 peak  1566 spectrum    1 weight  0.11000E+01 volume  0.53842E-03 ppm1      9.242 ppm2      9.156 CV     1
 ASSI { 1568}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 109  and name HA  ))
      4.400     2.400     1.600 peak  1568 spectrum    1 weight  0.11000E+01 volume  0.58930E-03 ppm1      4.976 ppm2      5.514 CV     1
 ASSI { 1570}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 109  and name HA  ))
      4.900     3.000     1.100 peak  1570 spectrum    1 weight  0.11000E+01 volume  0.28065E-03 ppm1      4.614 ppm2      5.511 CV     1
 ASSI { 1571}
   (  segid "    " and resid 16   and name HG2%)
   (( segid "    " and resid 3    and name HD2 ))
      3.300     1.300     1.300 peak  1571 spectrum    1 weight  0.11000E+01 volume  0.15559E-02 ppm1      0.262 ppm2      6.893 CV     1
 ASSI { 1573}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 109  and name HA  ))
      3.900     1.900     1.900 peak  1573 spectrum    1 weight  0.11000E+01 volume  0.64017E-03 ppm1      5.097 ppm2      5.513 CV     1
 ASSI { 1574}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      3.200     1.300     1.300 peak  1574 spectrum    1 weight  0.11000E+01 volume  0.80975E-03 ppm1      4.414 ppm2      9.386 CV     1
 ASSI { 1575}
   (  segid "    " and resid 22   and name HG1%)
   (( segid "    " and resid 3    and name HD2 ))
      2.900     1.000     1.000 peak  1575 spectrum    1 weight  0.11000E+01 volume  0.15178E-02 ppm1      0.829 ppm2      6.893 CV     1
 ASSI { 1578}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      2.800     2.800     3.200 peak  1578 spectrum    1 weight  0.11000E+01 volume  0.10556E-02 ppm1      4.438 ppm2      9.091 CV     1
 ASSI { 1586}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      5.300     3.500     0.700 peak  1586 spectrum    1 weight  0.11000E+01 volume  0.33492E-04 ppm1      4.780 ppm2      9.090 CV     1
 ASSI { 1589}
   (  segid "    " and resid 38   and name HE% )
   (( segid "    " and resid 38   and name HZ  ))
      2.200     0.600     0.600 peak  1589 spectrum    1 weight  0.11000E+01 volume  0.78855E-02 ppm1      6.885 ppm2      7.274 CV     1
 ASSI { 1590}
   (( segid "    " and resid 38   and name HZ  ))
   (  segid "    " and resid 38   and name HD% )
      2.600     2.600     3.400 peak  1590 spectrum    1 weight  0.11000E+01 volume  0.92849E-02 ppm1      7.275 ppm2      7.497 CV     1
 ASSI { 1593}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 52   and name HA  ))
      2.300     0.700     0.700 peak  1593 spectrum    1 weight  0.11000E+01 volume  0.60201E-02 ppm1      4.342 ppm2      4.814 CV     1
 ASSI { 1595}
   (  segid "    " and resid 57   and name HE% )
   (  segid "    " and resid 57   and name HD% )
      2.300     0.700     0.700 peak  1595 spectrum    1 weight  0.11000E+01 volume  0.57658E-02 ppm1      6.890 ppm2      7.206 CV     1
 ASSI { 1599}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      2.200     0.600     0.600 peak  1599 spectrum    1 weight  0.11000E+01 volume  0.87762E-02 ppm1      4.884 ppm2      9.389 CV     1
 ASSI { 1600}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
      3.400     1.400     1.400 peak  1600 spectrum    1 weight  0.11000E+01 volume  0.55962E-03 ppm1      4.870 ppm2      8.742 CV     1
 ASSI { 1602}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 109  and name HN  ))
      2.500     0.800     0.800 peak  1602 spectrum    1 weight  0.11000E+01 volume  0.34171E-02 ppm1      4.899 ppm2      9.082 CV     1
 ASSI { 1603}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 85   and name HN  ))
      2.300     0.600     0.600 peak  1603 spectrum    1 weight  0.11000E+01 volume  0.47906E-02 ppm1      4.504 ppm2      8.594 CV     1
 ASSI { 1605}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 107  and name HN  ))
      3.700     1.700     1.700 peak  1605 spectrum    1 weight  0.11000E+01 volume  0.58081E-03 ppm1      4.503 ppm2      9.202 CV     1
 ASSI { 1606}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HN  ))
      2.900     1.000     1.000 peak  1606 spectrum    1 weight  0.11000E+01 volume  0.13354E-02 ppm1      3.995 ppm2      8.592 CV     1
 ASSI { 1607}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 107  and name HN  ))
      6.000     5.900     0.000 peak  1607 spectrum    1 weight  0.11000E+01 volume  0.20180E-04 ppm1      8.594 ppm2      9.200 CV     1
 ASSI { 1610}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HN  ))
      3.200     1.300     1.300 peak  1610 spectrum    1 weight  0.11000E+01 volume  0.45363E-03 ppm1      4.880 ppm2      9.339 CV     1
 ASSI { 1612}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 36   and name HA  ))
      2.500     0.800     0.800 peak  1612 spectrum    1 weight  0.11000E+01 volume  0.21028E-02 ppm1      4.431 ppm2      5.005 CV     1
 ASSI { 1613}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 89   and name HN  ))
      3.400     1.400     1.400 peak  1613 spectrum    1 weight  0.11000E+01 volume  0.45363E-03 ppm1      4.430 ppm2      8.552 CV     1
 ASSI { 1615}
   (  segid "    " and resid 89   and name HD% )
   (( segid "    " and resid 36   and name HD1 ))
      3.400     3.400     2.600 peak  1615 spectrum    1 weight  0.11000E+01 volume  0.47059E-03 ppm1      5.579 ppm2      7.415 CV     1
 ASSI { 1617}
   (  segid "    " and resid 89   and name HE% )
   (( segid "    " and resid 36   and name HD1 ))
      3.100     3.100     2.900 peak  1617 spectrum    1 weight  0.11000E+01 volume  0.81823E-03 ppm1      6.473 ppm2      7.415 CV     1
 ASSI { 1618}
   (( segid "    " and resid 98   and name HD2 ))
   (( segid "    " and resid 98   and name HE1 ))
      5.600     3.900     0.400 peak  1618 spectrum    1 weight  0.11000E+01 volume  0.12804E-03 ppm1      7.139 ppm2      7.975 CV     1
 ASSI { 1619}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 103  and name HN  ))
      3.400     1.400     1.400 peak  1619 spectrum    1 weight  0.11000E+01 volume  0.45787E-03 ppm1      4.688 ppm2      9.211 CV     1
 ASSI { 1620}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 87   and name HN  ))
      3.200     1.200     1.200 peak  1620 spectrum    1 weight  0.11000E+01 volume  0.49179E-03 ppm1      9.203 ppm2      9.338 CV     1
 ASSI { 1621}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 86   and name HA  ))
      6.000     6.000     0.000 peak  1621 spectrum    1 weight  0.11000E+01 volume  0.21495E-05 ppm1      5.321 ppm2      5.393 CV     1
 ASSI { 1623}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 105  and name HN  ))
      2.300     0.600     0.600 peak  1623 spectrum    1 weight  0.11000E+01 volume  0.48331E-02 ppm1      5.320 ppm2      7.826 CV     1
 ASSI { 1624}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 105  and name HN  ))
      2.900     1.000     1.000 peak  1624 spectrum    1 weight  0.11000E+01 volume  0.12888E-02 ppm1      4.306 ppm2      7.825 CV     1
 ASSI { 1625}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 106  and name HN  ))
      2.200     0.600     0.600 peak  1625 spectrum    1 weight  0.11000E+01 volume  0.50874E-02 ppm1      4.305 ppm2      8.654 CV     1
 ASSI { 1626}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 85   and name HN  ))
      3.500     1.600     1.600 peak  1626 spectrum    1 weight  0.11000E+01 volume  0.42819E-03 ppm1      7.823 ppm2      8.592 CV     1
 ASSI { 1629}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 107  and name HN  ))
      2.400     0.700     0.700 peak  1629 spectrum    1 weight  0.11000E+01 volume  0.36842E-02 ppm1      5.093 ppm2      9.204 CV     1
 ASSI { 1630}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      4.200     2.200     1.800 peak  1630 spectrum    1 weight  0.11000E+01 volume  0.44940E-03 ppm1      8.655 ppm2      9.251 CV     1
 ASSI { 1631}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 107  and name HN  ))
      3.500     1.500     1.500 peak  1631 spectrum    1 weight  0.11000E+01 volume  0.50874E-03 ppm1      4.953 ppm2      9.203 CV     1
 ASSI { 1632}
   (( segid "    " and resid 108  and name HA  ))
   (( segid "    " and resid 82   and name HA  ))
      2.000     0.500     0.500 peak  1632 spectrum    1 weight  0.11000E+01 volume  0.68681E-02 ppm1      4.782 ppm2      4.907 CV     1
 ASSI { 1634}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      3.000     1.100     1.100 peak  1634 spectrum    1 weight  0.11000E+01 volume  0.24929E-02 ppm1      5.512 ppm2      8.659 CV     1
 ASSI { 1635}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 109  and name HN  ))
      3.600     1.600     1.600 peak  1635 spectrum    1 weight  0.11000E+01 volume  0.33577E-03 ppm1      5.511 ppm2      9.083 CV     1
 ASSI {    1}
   (( segid "    " and resid 90   and name HB2 ))
   (( segid "    " and resid 91   and name HN  ))
      0.800     0.800     5.200 peak     1 spectrum    1 weight  0.10000E+01 volume  0.13707E+01 ppm1      1.439 ppm2      7.631 CV     1
 ASSI {    7}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      1.700     1.700     4.300 peak     7 spectrum    1 weight  0.10000E+01 volume  0.10510E+00 ppm1      4.299 ppm2      9.673 CV     1
 ASSI {    9}
   (  segid "    " and resid 17   and name HB% )
   (( segid "    " and resid 17   and name HN  ))
      1.700     0.400     0.500 peak     9 spectrum    1 weight  0.10000E+01 volume  0.47564E-01 ppm1      1.328 ppm2      8.382 CV     1
 ASSI {   11}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 96   and name HB2 ))
      1.900     0.400     0.400 peak    11 spectrum    1 weight  0.10000E+01 volume  0.40148E-01 ppm1      4.314 ppm2      1.914 CV     1
 ASSI {   13}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 19   and name HN  ))
      1.500     0.300     0.700 peak    13 spectrum    1 weight  0.10000E+01 volume  0.33499E-01 ppm1      1.822 ppm2      8.649 CV     1
 ASSI {   18}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 26   and name HN  ))
      1.500     0.300     0.700 peak    18 spectrum    1 weight  0.10000E+01 volume  0.26595E-01 ppm1      1.160 ppm2      8.548 CV     1
 ASSI {   19}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 65   and name HN  ))
      1.700     0.300     0.500 peak    19 spectrum    1 weight  0.10000E+01 volume  0.25061E-01 ppm1      1.569 ppm2      8.117 CV     1
 ASSI {   21}
   (( segid "    " and resid 4    and name HD1 ))
   (( segid "    " and resid 4    and name HE1 ))
      2.000     0.500     0.500 peak    21 spectrum    1 weight  0.10000E+01 volume  0.23373E-01 ppm1      1.482 ppm2      2.806 CV     1
 ASSI {   22}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      1.800     0.400     0.400 peak    22 spectrum    1 weight  0.11000E+01 volume  0.20688E-01 ppm1      4.864 ppm2      9.056 CV     1
 ASSI {   25}
   (( segid "    " and resid 81   and name HA2 ))
   (( segid "    " and resid 82   and name HN  ))
      1.900     0.500     0.500 peak    25 spectrum    1 weight  0.10000E+01 volume  0.18233E-01 ppm1      3.672 ppm2      8.116 CV     1
 ASSI {   27}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 66   and name HA1 ))
      2.300     2.300     3.700 peak    27 spectrum    1 weight  0.10000E+01 volume  0.16085E-01 ppm1      4.145 ppm2      4.018 CV     1
 ASSI {   28}
   (  segid "    " and resid 80   and name HB% )
   (( segid "    " and resid 110  and name HD21))
      2.500     2.500     3.500 peak    28 spectrum    1 weight  0.10000E+01 volume  0.15982E-01 ppm1      1.433 ppm2      7.507 CV     1
 ASSI {   32}
   (( segid "    " and resid 19   and name HA1 ))
   (( segid "    " and resid 19   and name HA2 ))
      1.800     0.400     0.400 peak    32 spectrum    1 weight  0.10000E+01 volume  0.14704E-01 ppm1      4.333 ppm2      3.575 CV     1
 ASSI {   33}
   (( segid "    " and resid 87   and name HB1 ))
   (  segid "    " and resid 103  and name HD% )
      2.200     2.200     3.800 peak    33 spectrum    1 weight  0.10000E+01 volume  0.14115E-01 ppm1      1.484 ppm2      6.685 CV     1
 ASSI {   37}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      2.000     2.000     4.000 peak    37 spectrum    1 weight  0.10000E+01 volume  0.12582E-01 ppm1      4.168 ppm2      8.116 CV     1
 ASSI {   38}
   (  segid "    " and resid 37   and name HE% )
   (  segid "    " and resid 37   and name HD% )
      2.000     0.500     0.500 peak    38 spectrum    1 weight  0.10000E+01 volume  0.12428E-01 ppm1      6.721 ppm2      6.838 CV     1
 ASSI {   39}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 26   and name HG  ))
      1.900     0.500     0.500 peak    39 spectrum    1 weight  0.10000E+01 volume  0.12274E-01 ppm1     -1.283 ppm2      0.371 CV     1
 ASSI {   40}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      1.900     0.400     0.400 peak    40 spectrum    1 weight  0.10000E+01 volume  0.12147E-01 ppm1      5.329 ppm2      9.234 CV     1
 ASSI {   41}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HD1 ))
      1.900     0.500     0.500 peak    41 spectrum    1 weight  0.10000E+01 volume  0.11763E-01 ppm1      3.912 ppm2      1.710 CV     1
 ASSI {   42}
   (( segid "    " and resid 56   and name HD1 ))
   (( segid "    " and resid 56   and name HE1 ))
      1.800     0.400     0.400 peak    42 spectrum    1 weight  0.10000E+01 volume  0.11559E-01 ppm1      1.451 ppm2      2.648 CV     1
 ASSI {   46}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 104  and name HN  ))
      1.900     0.500     0.500 peak    46 spectrum    1 weight  0.10000E+01 volume  0.11149E-01 ppm1      4.692 ppm2      7.559 CV     1
 ASSI {   49}
   (( segid "    " and resid 99  and name HB1 ))
   (( segid "    " and resid 99  and name HN  ))
      2.300     0.600     0.600 peak    49 spectrum    1 weight  0.10000E+01 volume  0.10664E-01 ppm1      2.626 ppm2      8.125 CV     1
 ASSI {   51}
   (( segid "    " and resid 108  and name HG1 ))
   (( segid "    " and resid 109  and name HN  ))
      2.400     0.700     0.700 peak    51 spectrum    1 weight  0.10000E+01 volume  0.10433E-01 ppm1      1.254 ppm2      9.070 CV     1
 OR {   51}
   (( segid "    " and resid 108  and name HB2 ))
   (( segid "    " and resid 109  and name HN  ))
 ASSI {   54}
   (( segid "    " and resid 86   and name HD22))
   (( segid "    " and resid 86   and name HD21))
      1.800     0.400     0.400 peak    54 spectrum    1 weight  0.10000E+01 volume  0.95896E-02 ppm1      6.631 ppm2      7.562 CV     1
 ASSI {   56}
   (  segid "    " and resid 17   and name HB% )
   (( segid "    " and resid 18   and name HN  ))
      2.500     0.800     0.800 peak    56 spectrum    1 weight  0.10000E+01 volume  0.95130E-02 ppm1      1.327 ppm2      8.412 CV     1
 ASSI {   58}
   (  segid "    " and resid 51   and name HD% )
   (  segid "    " and resid 51   and name HE% )
      2.100     0.500     0.500 peak    58 spectrum    1 weight  0.10000E+01 volume  0.93847E-02 ppm1      6.654 ppm2      7.114 CV     1
 ASSI {   60}
   (( segid "    " and resid 25   and name HE22))
   (( segid "    " and resid 25   and name HE21))
      1.700     0.300     0.500 peak    60 spectrum    1 weight  0.10000E+01 volume  0.93081E-02 ppm1      6.643 ppm2      7.239 CV     1
 ASSI {   64}
   (  segid "    " and resid 103  and name HD% )
   (  segid "    " and resid 103  and name HE% )
      2.000     0.500     0.500 peak    64 spectrum    1 weight  0.10000E+01 volume  0.91549E-02 ppm1      6.691 ppm2      6.914 CV     1
 ASSI {   65}
   (  segid "    " and resid 16   and name HG2%)
   (( segid "    " and resid 16   and name HB  ))
      2.000     0.500     0.500 peak    65 spectrum    1 weight  0.10000E+01 volume  0.91291E-02 ppm1      0.267 ppm2      2.028 CV     1
 ASSI {   66}
   (( segid "    " and resid 86   and name HD22))
   (  segid "    " and resid 38   and name HE% )
      2.800     2.800     3.200 peak    66 spectrum    1 weight  0.10000E+01 volume  0.90266E-02 ppm1      6.640 ppm2      6.914 CV     1
 ASSI {   68}
   (  segid "    " and resid 89   and name HD% )
   (  segid "    " and resid 89   and name HE% )
      2.100     0.500     0.500 peak    68 spectrum    1 weight  0.10000E+01 volume  0.87968E-02 ppm1      5.578 ppm2      6.469 CV     1
 ASSI {   69}
   (( segid "    " and resid 103  and name HB2 ))
   (( segid "    " and resid 103  and name HB1 ))
      1.600     0.300     0.600 peak    69 spectrum    1 weight  0.10000E+01 volume  0.87710E-02 ppm1      2.255 ppm2      2.591 CV     1
 ASSI {   70}
   (( segid "    " and resid 47   and name HD22))
   (( segid "    " and resid 47   and name HD21))
      1.900     0.400     0.400 peak    70 spectrum    1 weight  0.10000E+01 volume  0.87460E-02 ppm1      7.018 ppm2      7.633 CV     1
 ASSI {   72}
   (  segid "    " and resid 51   and name HE% )
   (( segid "    " and resid 51   and name HZ  ))
      2.200     0.600     0.600 peak    72 spectrum    1 weight  0.10000E+01 volume  0.85411E-02 ppm1      7.115 ppm2      7.313 CV     1
 ASSI {   73}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 37   and name HD% )
      2.100     0.500     0.500 peak    73 spectrum    1 weight  0.10000E+01 volume  0.81319E-02 ppm1      2.521 ppm2      6.833 CV     1
 ASSI {   75}
   (( segid "    " and resid 92   and name HD1 ))
   (( segid "    " and resid 95   and name HA2 ))
      2.400     2.400     3.600 peak    75 spectrum    1 weight  0.10000E+01 volume  0.79529E-02 ppm1      3.510 ppm2      3.754 CV     1
 ASSI {   77}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 71   and name HN  ))
      2.800     1.000     1.000 peak    77 spectrum    1 weight  0.10000E+01 volume  0.78762E-02 ppm1      0.969 ppm2      9.589 CV     1
 ASSI {   78}
   (( segid "    " and resid 86   and name HB1 ))
   (( segid "    " and resid 87   and name HN  ))
      2.200     0.600     2.000 peak    78 spectrum    1 weight  0.10000E+01 volume  0.78762E-02 ppm1      2.696 ppm2      9.331 CV     1
 ASSI {   79}
   (  segid "    " and resid 34   and name HD% )
   (  segid "    " and resid 34   and name HE% )
      2.100     0.500     0.500 peak    79 spectrum    1 weight  0.10000E+01 volume  0.77228E-02 ppm1      6.502 ppm2      7.120 CV     1
 ASSI {   81}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
      2.600     0.800     0.800 peak    81 spectrum    1 weight  0.10000E+01 volume  0.74159E-02 ppm1      4.660 ppm2      0.578 CV     1
 ASSI {   82}
   (  segid "    " and resid 109  and name HB% )
   (( segid "    " and resid 110  and name HN  ))
      2.500     0.800     0.800 peak    82 spectrum    1 weight  0.10000E+01 volume  0.73648E-02 ppm1      1.322 ppm2      8.120 CV     1
 ASSI {   87}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 110  and name HN  ))
      2.100     0.500     0.500 peak    87 spectrum    1 weight  0.10000E+01 volume  0.71602E-02 ppm1      5.510 ppm2      8.123 CV     1
 ASSI {   90}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 23   and name HN  ))
      2.700     0.900     0.900 peak    90 spectrum    1 weight  0.10000E+01 volume  0.66487E-02 ppm1      0.669 ppm2      8.718 CV     1
 ASSI {   92}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 87   and name HN  ))
      2.000     0.500     0.500 peak    92 spectrum    1 weight  0.10000E+01 volume  0.64953E-02 ppm1      5.394 ppm2      9.334 CV     1
 ASSI {   93}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HB1 ))
      1.800     0.400     0.400 peak    93 spectrum    1 weight  0.10000E+01 volume  0.64697E-02 ppm1      3.873 ppm2      4.120 CV     1
 ASSI {   95}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 97   and name HN  ))
      2.300     0.700     0.700 peak    95 spectrum    1 weight  0.10000E+01 volume  0.63674E-02 ppm1      4.308 ppm2      8.804 CV     1
 ASSI {   97}
   (( segid "    " and resid 106  and name HB2 ))
   (( segid "    " and resid 106  and name HB1 ))
      1.900     0.400     0.400 peak    97 spectrum    1 weight  0.10000E+01 volume  0.63163E-02 ppm1      2.399 ppm2      3.143 CV     1
 ASSI {  100}
   (  segid "    " and resid 13   and name HG2%)
   (( segid "    " and resid 14   and name HN  ))
      2.600     0.900     0.900 peak   100 spectrum    1 weight  0.10000E+01 volume  0.61884E-02 ppm1      0.958 ppm2      9.238 CV     1
 ASSI {  102}
   (( segid "    " and resid 91   and name HG2 ))
   (( segid "    " and resid 91   and name HG1 ))
      1.700     0.300     0.500 peak   102 spectrum    1 weight  0.10000E+01 volume  0.61117E-02 ppm1     -0.115 ppm2      0.344 CV     1
 ASSI {  103}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HB1 ))
      1.900     0.400     0.400 peak   103 spectrum    1 weight  0.10000E+01 volume  0.60606E-02 ppm1      0.755 ppm2      2.339 CV     1
 ASSI {  105}
   (( segid "    " and resid 36   and name HH2 ))
   (( segid "    " and resid 36   and name HZ2 ))
      2.300     0.700     0.700 peak   105 spectrum    1 weight  0.10000E+01 volume  0.60350E-02 ppm1      6.771 ppm2      6.980 CV     1
 ASSI {  107}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HG  ))
      2.100     0.600     0.600 peak   107 spectrum    1 weight  0.10000E+01 volume  0.59583E-02 ppm1     -0.655 ppm2      0.371 CV     1
 ASSI {  112}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      2.100     0.600     0.600 peak   112 spectrum    1 weight  0.11000E+01 volume  0.57026E-02 ppm1      4.375 ppm2     10.247 CV     1
 ASSI {  113}
   (( segid "    " and resid 33   and name HA1 ))
   (( segid "    " and resid 33   and name HN  ))
      2.200     0.600     0.600 peak   113 spectrum    1 weight  0.10000E+01 volume  0.56514E-02 ppm1      4.292 ppm2      7.858 CV     1
 ASSI {  114}
   (( segid "    " and resid 110  and name HB2 ))
   (( segid "    " and resid 110  and name HD22))
      2.900     1.000     1.000 peak   114 spectrum    1 weight  0.10000E+01 volume  0.56514E-02 ppm1      2.629 ppm2      6.676 CV     1
 ASSI {  117}
   (( segid "    " and resid 103  and name HB2 ))
   (( segid "    " and resid 36   and name HZ3 ))
      2.300     0.600     0.600 peak   117 spectrum    1 weight  0.10000E+01 volume  0.55747E-02 ppm1      2.269 ppm2      6.752 CV     1
 ASSI {  121}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 65   and name HD2%)
      2.500     0.800     0.800 peak   121 spectrum    1 weight  0.10000E+01 volume  0.55236E-02 ppm1      4.167 ppm2      0.864 CV     1
 ASSI {  123}
   (( segid "    " and resid 29   and name HD22))
   (( segid "    " and resid 29   and name HD21))
      1.800     0.400     0.400 peak   123 spectrum    1 weight  0.10000E+01 volume  0.54980E-02 ppm1      6.978 ppm2      7.747 CV     1
 ASSI {  126}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
      2.200     0.600     0.600 peak   126 spectrum    1 weight  0.11000E+01 volume  0.54724E-02 ppm1      5.558 ppm2      8.333 CV     1
 ASSI {  129}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 36   and name HZ2 ))
      2.400     0.700     0.700 peak   129 spectrum    1 weight  0.11000E+01 volume  0.53957E-02 ppm1     -0.653 ppm2      6.938 CV     1
 ASSI {  130}
   (( segid "    " and resid 57   and name HA  ))
   (  segid "    " and resid 58   and name HD% )
      2.400     2.400     3.600 peak   130 spectrum    1 weight  0.10000E+01 volume  0.53957E-02 ppm1      5.045 ppm2      6.834 CV     1
 ASSI {  132}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 57   and name HB1 ))
      1.900     0.400     0.400 peak   132 spectrum    1 weight  0.10000E+01 volume  0.53190E-02 ppm1      2.591 ppm2      3.104 CV     1
 ASSI {  133}
   (( segid "    " and resid 81   and name HA1 ))
   (( segid "    " and resid 81   and name HA2 ))
      2.000     0.500     0.500 peak   133 spectrum    1 weight  0.10000E+01 volume  0.53190E-02 ppm1      4.239 ppm2      3.655 CV     1
 ASSI {  134}
   (( segid "    " and resid 102  and name HA  ))
   (( segid "    " and resid 102  and name HN  ))
      2.200     0.600     0.600 peak   134 spectrum    1 weight  0.10000E+01 volume  0.52934E-02 ppm1      5.340 ppm2      8.493 CV     1
 ASSI {  135}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      2.400     0.700     0.700 peak   135 spectrum    1 weight  0.10000E+01 volume  0.52934E-02 ppm1      4.660 ppm2      8.472 CV     1
 ASSI {  136}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      2.500     0.800     0.800 peak   136 spectrum    1 weight  0.10000E+01 volume  0.52934E-02 ppm1      3.203 ppm2      8.617 CV     1
 ASSI {  137}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      2.200     0.600     0.600 peak   137 spectrum    1 weight  0.10000E+01 volume  0.52423E-02 ppm1      4.404 ppm2      8.722 CV     1
 ASSI {  138}
   (( segid "    " and resid 96   and name HB2 ))
   (( segid "    " and resid 99  and name HB2 ))
      2.300     0.600     0.600 peak   138 spectrum    1 weight  0.10000E+01 volume  0.51912E-02 ppm1      1.943 ppm2      2.514 CV     1
 ASSI {  139}
   (( segid "    " and resid 13   and name HB  ))
   (( segid "    " and resid 13   and name HN  ))
      2.400     0.700     0.700 peak   139 spectrum    1 weight  0.11000E+01 volume  0.51912E-02 ppm1      3.878 ppm2      8.267 CV     1
 ASSI {  141}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      2.300     0.700     0.700 peak   141 spectrum    1 weight  0.10000E+01 volume  0.51399E-02 ppm1      4.325 ppm2      8.493 CV     1
 ASSI {  144}
   (( segid "    " and resid 38   and name HB1 ))
   (  segid "    " and resid 38   and name HD% )
      2.400     0.700     0.700 peak   144 spectrum    1 weight  0.10000E+01 volume  0.50888E-02 ppm1      3.469 ppm2      7.497 CV     1
 ASSI {  145}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 89   and name HB1 ))
      1.800     0.400     0.400 peak   145 spectrum    1 weight  0.10000E+01 volume  0.50888E-02 ppm1      0.044 ppm2      2.268 CV     1
 ASSI {  147}
   (  segid "    " and resid 76   and name HG2%)
   (  segid "    " and resid 51   and name HD% )
      2.500     0.800     0.800 peak   147 spectrum    1 weight  0.10000E+01 volume  0.50632E-02 ppm1      0.925 ppm2      6.657 CV     1
 ASSI {  149}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      2.100     0.500     0.500 peak   149 spectrum    1 weight  0.10000E+01 volume  0.50121E-02 ppm1      5.682 ppm2      9.608 CV     1
 ASSI {  150}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      2.300     0.600     0.600 peak   150 spectrum    1 weight  0.10000E+01 volume  0.50121E-02 ppm1      5.370 ppm2      8.608 CV     1
 ASSI {  152}
   (( segid "    " and resid 69   and name HA1 ))
   (( segid "    " and resid 70   and name HN  ))
      2.500     0.800     0.800 peak   152 spectrum    1 weight  0.10000E+01 volume  0.49866E-02 ppm1      4.422 ppm2      8.387 CV     1
 ASSI {  156}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 80   and name HN  ))
      2.400     0.700     0.700 peak   156 spectrum    1 weight  0.10000E+01 volume  0.49099E-02 ppm1      4.695 ppm2      8.654 CV     1
 ASSI {  157}
   (( segid "    " and resid 82   and name HB  ))
   (( segid "    " and resid 82   and name HN  ))
      2.500     0.800     0.800 peak   157 spectrum    1 weight  0.10000E+01 volume  0.49099E-02 ppm1      3.861 ppm2      8.118 CV     1
 ASSI {  159}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      2.400     2.400     3.600 peak   159 spectrum    1 weight  0.10000E+01 volume  0.48331E-02 ppm1      3.987 ppm2      9.672 CV     1
 ASSI {  160}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 38   and name HB2 ))
      1.900     0.400     0.400 peak   160 spectrum    1 weight  0.10000E+01 volume  0.48331E-02 ppm1      3.468 ppm2      3.143 CV     1
 ASSI {  162}
   (( segid "    " and resid 55   and name HD22))
   (( segid "    " and resid 55   and name HD21))
      2.100     0.500     0.500 peak   162 spectrum    1 weight  0.10000E+01 volume  0.47564E-02 ppm1      5.753 ppm2      7.511 CV     1
 ASSI {  164}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HB1 ))
      2.200     0.600     0.600 peak   164 spectrum    1 weight  0.10000E+01 volume  0.47053E-02 ppm1      5.573 ppm2      2.264 CV     1
 ASSI {  165}
   (( segid "    " and resid 51   and name HB1 ))
   (  segid "    " and resid 51   and name HD% )
      2.200     0.600     0.600 peak   165 spectrum    1 weight  0.10000E+01 volume  0.47053E-02 ppm1      2.893 ppm2      6.652 CV     1
 ASSI {  170}
   (( segid "    " and resid 21   and name HB1 ))
   (( segid "    " and resid 21   and name HN  ))
      2.300     0.700     0.700 peak   170 spectrum    1 weight  0.10000E+01 volume  0.44751E-02 ppm1      1.609 ppm2      8.211 CV     1
 ASSI {  173}
   (( segid "    " and resid 93   and name HZ2 ))
   (( segid "    " and resid 93   and name HE1 ))
      2.400     0.700     0.700 peak   173 spectrum    1 weight  0.10000E+01 volume  0.43473E-02 ppm1      7.401 ppm2     10.262 CV     1
 ASSI {  175}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      2.400     0.700     0.700 peak   175 spectrum    1 weight  0.11000E+01 volume  0.42961E-02 ppm1      5.557 ppm2      9.057 CV     1
 ASSI {  176}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      2.800     1.000     1.000 peak   176 spectrum    1 weight  0.10000E+01 volume  0.42961E-02 ppm1      4.288 ppm2      8.211 CV     1
 ASSI {  178}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      2.700     0.900     0.900 peak   178 spectrum    1 weight  0.10000E+01 volume  0.42705E-02 ppm1      4.347 ppm2      8.116 CV     1
 ASSI {  179}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      2.200     0.600     0.600 peak   179 spectrum    1 weight  0.10000E+01 volume  0.42194E-02 ppm1      5.067 ppm2      9.301 CV     1
 ASSI {  180}
   (( segid "    " and resid 102  and name HA  ))
   (( segid "    " and resid 102  and name HG1 ))
      2.200     0.600     0.600 peak   180 spectrum    1 weight  0.10000E+01 volume  0.42194E-02 ppm1      5.341 ppm2      1.694 CV     1
 ASSI {  183}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      2.400     0.700     0.700 peak   183 spectrum    1 weight  0.10000E+01 volume  0.41171E-02 ppm1      5.086 ppm2      8.412 CV     1
 ASSI {  185}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      2.500     0.800     0.800 peak   185 spectrum    1 weight  0.11000E+01 volume  0.40916E-02 ppm1      5.078 ppm2      8.826 CV     1
 ASSI {  186}
   (( segid "    " and resid 27   and name HD1 ))
   (( segid "    " and resid 7    and name HN  ))
      2.200     0.600     0.600 peak   186 spectrum    1 weight  0.10000E+01 volume  0.40916E-02 ppm1      4.041 ppm2      8.915 CV     1
 ASSI {  191}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      2.400     0.700     0.700 peak   191 spectrum    1 weight  0.10000E+01 volume  0.40404E-02 ppm1      4.603 ppm2      8.378 CV     1
 ASSI {  192}
   (  segid "    " and resid 64   and name HD1%)
   (( segid "    " and resid 65   and name HN  ))
      3.000     1.100     1.100 peak   192 spectrum    1 weight  0.10000E+01 volume  0.40148E-02 ppm1      0.871 ppm2      8.116 CV     1
 OR {  192}
   (  segid "    " and resid 64   and name HD2%)
   (( segid "    " and resid 65   and name HN  ))
 ASSI {  196}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      2.500     0.800     0.800 peak   196 spectrum    1 weight  0.11000E+01 volume  0.39381E-02 ppm1      4.813 ppm2      8.889 CV     1
 ASSI {  199}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 84   and name HB% )
      2.500     0.800     0.800 peak   199 spectrum    1 weight  0.10000E+01 volume  0.39125E-02 ppm1      4.500 ppm2      1.346 CV     1
 ASSI {  202}
   (( segid "    " and resid 51   and name HB2 ))
   (  segid "    " and resid 51   and name HD% )
      2.700     0.900     0.900 peak   202 spectrum    1 weight  0.10000E+01 volume  0.38614E-02 ppm1      2.698 ppm2      6.652 CV     1
 ASSI {  203}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 86   and name HN  ))
      2.300     0.600     0.600 peak   203 spectrum    1 weight  0.10000E+01 volume  0.38614E-02 ppm1      3.994 ppm2      8.768 CV     1
 ASSI {  207}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 18   and name HG1%)
      2.700     0.900     0.900 peak   207 spectrum    1 weight  0.10000E+01 volume  0.38358E-02 ppm1      4.460 ppm2      0.743 CV     1
 ASSI {  208}
   (  segid "    " and resid 80   and name HB% )
   (( segid "    " and resid 80   and name HN  ))
      2.600     0.800     0.800 peak   208 spectrum    1 weight  0.10000E+01 volume  0.37847E-02 ppm1      1.409 ppm2      8.654 CV     1
 ASSI {  209}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      2.500     0.800     0.800 peak   209 spectrum    1 weight  0.10000E+01 volume  0.37847E-02 ppm1      4.167 ppm2      8.663 CV     1
 ASSI {  210}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HA  ))
      2.700     0.900     0.900 peak   210 spectrum    1 weight  0.10000E+01 volume  0.37591E-02 ppm1      2.138 ppm2      5.561 CV     1
 ASSI {  212}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      2.400     0.700     0.700 peak   212 spectrum    1 weight  0.11000E+01 volume  0.37079E-02 ppm1      5.095 ppm2      9.141 CV     1
 ASSI {  216}
   (( segid "    " and resid 92   and name HB2 ))
   (( segid "    " and resid 93   and name HN  ))
      2.500     0.800     0.800 peak   216 spectrum    1 weight  0.10000E+01 volume  0.37079E-02 ppm1      1.373 ppm2      6.881 CV     1
 ASSI {  219}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 68   and name HN  ))
      2.700     0.900     0.900 peak   219 spectrum    1 weight  0.10000E+01 volume  0.36568E-02 ppm1      4.353 ppm2      8.340 CV     1
 ASSI {  220}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 53   and name HG1%)
      2.700     0.900     0.900 peak   220 spectrum    1 weight  0.10000E+01 volume  0.36568E-02 ppm1      5.370 ppm2      1.374 CV     1
 ASSI {  221}
   (( segid "    " and resid 60   and name HD1 ))
   (( segid "    " and resid 60   and name HG1 ))
      2.400     0.700     0.700 peak   221 spectrum    1 weight  0.10000E+01 volume  0.36312E-02 ppm1      3.570 ppm2      2.014 CV     1
 ASSI {  223}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      2.500     0.800     0.800 peak   223 spectrum    1 weight  0.10000E+01 volume  0.36057E-02 ppm1      4.399 ppm2      8.263 CV     1
 ASSI {  224}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 4    and name HN  ))
      2.600     0.900     0.900 peak   224 spectrum    1 weight  0.10000E+01 volume  0.36057E-02 ppm1      1.660 ppm2      8.545 CV     1
 ASSI {  226}
   (( segid "    " and resid 19   and name HA2 ))
   (( segid "    " and resid 19   and name HN  ))
      2.400     0.700     0.700 peak   226 spectrum    1 weight  0.10000E+01 volume  0.35545E-02 ppm1      3.564 ppm2      8.616 CV     1
 ASSI {  227}
   (( segid "    " and resid 11   and name HA2 ))
   (( segid "    " and resid 11   and name HN  ))
      2.800     1.000     1.000 peak   227 spectrum    1 weight  0.10000E+01 volume  0.35290E-02 ppm1      3.359 ppm2      9.671 CV     1
 ASSI {  234}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 46   and name HD1 ))
      2.300     0.600     0.600 peak   234 spectrum    1 weight  0.10000E+01 volume  0.34522E-02 ppm1      2.015 ppm2      3.197 CV     1
 ASSI {  235}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 29   and name HN  ))
      2.500     0.800     0.800 peak   235 spectrum    1 weight  0.10000E+01 volume  0.34266E-02 ppm1      4.142 ppm2      8.219 CV     1
 ASSI {  240}
   (  segid "    " and resid 18   and name HG1%)
   (( segid "    " and resid 18   and name HN  ))
      2.600     0.800     0.800 peak   240 spectrum    1 weight  0.10000E+01 volume  0.34011E-02 ppm1      0.750 ppm2      8.413 CV     1
 ASSI {  241}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HB1 ))
      1.800     0.400     0.400 peak   241 spectrum    1 weight  0.10000E+01 volume  0.34011E-02 ppm1      2.677 ppm2      3.047 CV     1
 ASSI {  242}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      2.400     0.700     0.700 peak   242 spectrum    1 weight  0.10000E+01 volume  0.33755E-02 ppm1      3.815 ppm2      8.559 CV     1
 ASSI {  243}
   (( segid "    " and resid 103  and name HB2 ))
   (  segid "    " and resid 103  and name HD% )
      2.400     0.700     0.700 peak   243 spectrum    1 weight  0.10000E+01 volume  0.33755E-02 ppm1      2.255 ppm2      6.689 CV     1
 ASSI {  247}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 96   and name HB1 ))
      2.400     0.700     0.700 peak   247 spectrum    1 weight  0.10000E+01 volume  0.33244E-02 ppm1      4.309 ppm2      2.141 CV     1
 ASSI {  251}
   (( segid "    " and resid 38   and name HB1 ))
   (  segid "    " and resid 37   and name HD% )
      2.500     2.500     3.500 peak   251 spectrum    1 weight  0.10000E+01 volume  0.32732E-02 ppm1      3.491 ppm2      6.833 CV     1
 ASSI {  252}
   (  segid "    " and resid 13   and name HG2%)
   (( segid "    " and resid 13   and name HN  ))
      3.200     1.300     1.300 peak   252 spectrum    1 weight  0.10000E+01 volume  0.32732E-02 ppm1      0.959 ppm2      8.272 CV     1
 ASSI {  253}
   (( segid "    " and resid 91   and name HG1 ))
   (( segid "    " and resid 91   and name HD1 ))
      2.500     0.800     0.800 peak   253 spectrum    1 weight  0.10000E+01 volume  0.32477E-02 ppm1      0.342 ppm2      2.603 CV     1
 ASSI {  254}
   (  segid "    " and resid 87   and name HD2%)
   (  segid "    " and resid 38   and name HD% )
      2.500     0.800     0.800 peak   254 spectrum    1 weight  0.11000E+01 volume  0.32477E-02 ppm1     -0.807 ppm2      7.499 CV     1
 ASSI {  255}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 89   and name HN  ))
      2.200     0.600     0.600 peak   255 spectrum    1 weight  0.10000E+01 volume  0.32477E-02 ppm1      5.163 ppm2      8.539 CV     1
 ASSI {  256}
   (( segid "    " and resid 86   and name HB1 ))
   (( segid "    " and resid 86   and name HN  ))
      2.900     1.000     1.000 peak   256 spectrum    1 weight  0.10000E+01 volume  0.32221E-02 ppm1      2.704 ppm2      8.767 CV     1
 ASSI {  260}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 58   and name HD% )
      3.000     3.000     3.000 peak   260 spectrum    1 weight  0.10000E+01 volume  0.31965E-02 ppm1      2.311 ppm2      6.834 CV     1
 ASSI {  262}
   (( segid "    " and resid 108  and name HB1 ))
   (( segid "    " and resid 108  and name HN  ))
      2.400     0.700     0.700 peak   262 spectrum    1 weight  0.10000E+01 volume  0.31709E-02 ppm1      1.785 ppm2      9.147 CV     1
 ASSI {  263}
   (  segid "    " and resid 53   and name HG1%)
   (( segid "    " and resid 53   and name HB  ))
      2.600     0.800     0.800 peak   263 spectrum    1 weight  0.10000E+01 volume  0.31453E-02 ppm1      1.374 ppm2      2.173 CV     1
 ASSI {  264}
   (( segid "    " and resid 33   and name HA2 ))
   (( segid "    " and resid 33   and name HN  ))
      2.700     0.900     0.900 peak   264 spectrum    1 weight  0.10000E+01 volume  0.31453E-02 ppm1      3.695 ppm2      7.831 CV     1
 ASSI {  265}
   (  segid "    " and resid 77   and name HG1%)
   (( segid "    " and resid 79   and name HN  ))
      2.800     2.800     3.200 peak   265 spectrum    1 weight  0.10000E+01 volume  0.31453E-02 ppm1      0.943 ppm2      7.322 CV     1
 ASSI {  267}
   (( segid "    " and resid 87   and name HB1 ))
   (( segid "    " and resid 87   and name HN  ))
      2.800     1.000     1.000 peak   267 spectrum    1 weight  0.10000E+01 volume  0.31198E-02 ppm1      1.484 ppm2      9.332 CV     1
 ASSI {  268}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 73   and name HN  ))
      3.100     1.200     1.200 peak   268 spectrum    1 weight  0.10000E+01 volume  0.30942E-02 ppm1      1.372 ppm2      9.601 CV     1
 ASSI {  270}
   (  segid "    " and resid 87   and name HD1%)
   (( segid "    " and resid 73   and name HB2 ))
      2.400     0.700     0.700 peak   270 spectrum    1 weight  0.10000E+01 volume  0.30942E-02 ppm1     -0.465 ppm2      2.593 CV     1
 ASSI {  271}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
      2.700     0.900     0.900 peak   271 spectrum    1 weight  0.10000E+01 volume  0.30942E-02 ppm1      5.080 ppm2      1.876 CV     1
 ASSI {  275}
   (  segid "    " and resid 85   and name HG2%)
   (  segid "    " and resid 105  and name HG1%)
      2.600     0.900     0.900 peak   275 spectrum    1 weight  0.10000E+01 volume  0.30175E-02 ppm1      0.271 ppm2      0.820 CV     1
 ASSI {  276}
   (( segid "    " and resid 88   and name HB  ))
   (  segid "    " and resid 88   and name HG2%)
      2.500     0.800     0.800 peak   276 spectrum    1 weight  0.10000E+01 volume  0.29920E-02 ppm1      3.842 ppm2      1.092 CV     1
 ASSI {  277}
   (( segid "    " and resid 43   and name HG1 ))
   (  segid "    " and resid 38   and name HD% )
      3.000     1.100     1.100 peak   277 spectrum    1 weight  0.10000E+01 volume  0.29920E-02 ppm1      1.166 ppm2      7.509 CV     1
 ASSI {  280}
   (( segid "    " and resid 49   and name HB1 ))
   (( segid "    " and resid 49   and name HN  ))
      2.800     0.900     0.900 peak   280 spectrum    1 weight  0.11000E+01 volume  0.29408E-02 ppm1      3.792 ppm2      7.988 CV     1
 ASSI {  281}
   (  segid "    " and resid 16   and name HG1%)
   (( segid "    " and resid 16   and name HN  ))
      2.700     0.900     0.900 peak   281 spectrum    1 weight  0.10000E+01 volume  0.29408E-02 ppm1      0.509 ppm2      8.647 CV     1
 ASSI {  282}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      2.600     0.800     0.800 peak   282 spectrum    1 weight  0.10000E+01 volume  0.29152E-02 ppm1      4.832 ppm2      8.340 CV     1
 ASSI {  285}
   (  segid "    " and resid 79   and name HB% )
   (( segid "    " and resid 79   and name HN  ))
      2.700     0.900     0.900 peak   285 spectrum    1 weight  0.10000E+01 volume  0.29152E-02 ppm1      1.566 ppm2      7.324 CV     1
 ASSI {  288}
   (  segid "    " and resid 77   and name HG2%)
   (  segid "    " and resid 51   and name HD% )
      3.400     1.400     1.400 peak   288 spectrum    1 weight  0.10000E+01 volume  0.29152E-02 ppm1      0.844 ppm2      6.638 CV     1
 ASSI {  289}
   (( segid "    " and resid 37   and name HB1 ))
   (  segid "    " and resid 37   and name HD% )
      2.500     0.800     0.800 peak   289 spectrum    1 weight  0.10000E+01 volume  0.29152E-02 ppm1      3.431 ppm2      6.831 CV     1
 ASSI {  291}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 21   and name HD1%)
      2.800     1.000     1.000 peak   291 spectrum    1 weight  0.10000E+01 volume  0.28896E-02 ppm1      4.946 ppm2      0.657 CV     1
 ASSI {  294}
   (( segid "    " and resid 68   and name HA1 ))
   (( segid "    " and resid 68   and name HN  ))
      2.700     0.900     0.900 peak   294 spectrum    1 weight  0.10000E+01 volume  0.28896E-02 ppm1      4.012 ppm2      8.340 CV     1
 ASSI {  295}
   (( segid "    " and resid 110  and name HA  ))
   (  segid "    " and resid 80   and name HB% )
      3.000     1.100     1.100 peak   295 spectrum    1 weight  0.10000E+01 volume  0.28896E-02 ppm1      4.533 ppm2      1.409 CV     1
 ASSI {  299}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB1 ))
      2.400     0.700     0.700 peak   299 spectrum    1 weight  0.10000E+01 volume  0.28385E-02 ppm1      4.832 ppm2      2.406 CV     1
 ASSI {  301}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HN  ))
      3.000     1.100     1.100 peak   301 spectrum    1 weight  0.10000E+01 volume  0.27874E-02 ppm1      0.581 ppm2      9.241 CV     1
 ASSI {  302}
   (  segid "    " and resid 16   and name HG2%)
   (  segid "    " and resid 109  and name HB% )
      3.000     1.100     1.100 peak   302 spectrum    1 weight  0.10000E+01 volume  0.27874E-02 ppm1      0.271 ppm2      1.316 CV     1
 ASSI {  304}
   (  segid "    " and resid 85   and name HG1%)
   (( segid "    " and resid 86   and name HD22))
      3.300     1.300     1.300 peak   304 spectrum    1 weight  0.10000E+01 volume  0.27874E-02 ppm1      0.587 ppm2      6.648 CV     1
 ASSI {  308}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 107  and name HB2 ))
      2.700     0.900     0.900 peak   308 spectrum    1 weight  0.10000E+01 volume  0.27618E-02 ppm1      4.949 ppm2      1.006 CV     1
 ASSI {  309}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 53   and name HN  ))
      3.200     1.300     1.300 peak   309 spectrum    1 weight  0.10000E+01 volume  0.27618E-02 ppm1      4.341 ppm2      8.889 CV     1
 ASSI {  310}
   (( segid "    " and resid 19   and name HA2 ))
   (( segid "    " and resid 78   and name HD1 ))
      3.000     3.000     3.000 peak   310 spectrum    1 weight  0.10000E+01 volume  0.27107E-02 ppm1      3.583 ppm2      1.540 CV     1
 ASSI {  312}
   (( segid "    " and resid 66   and name HA1 ))
   (( segid "    " and resid 66   and name HN  ))
      2.700     0.900     0.900 peak   312 spectrum    1 weight  0.10000E+01 volume  0.26851E-02 ppm1      3.995 ppm2      8.658 CV     1
 ASSI {  313}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      2.700     0.900     0.900 peak   313 spectrum    1 weight  0.10000E+01 volume  0.26851E-02 ppm1      4.445 ppm2      9.016 CV     1
 ASSI {  314}
   (( segid "    " and resid 22   and name HB  ))
   (( segid "    " and resid 22   and name HN  ))
      2.500     0.800     0.800 peak   314 spectrum    1 weight  0.10000E+01 volume  0.26851E-02 ppm1      1.969 ppm2      9.384 CV     1
 ASSI {  315}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 106  and name HD% )
      2.800     1.000     1.000 peak   315 spectrum    1 weight  0.10000E+01 volume  0.26851E-02 ppm1      4.502 ppm2      6.700 CV     1
 ASSI {  317}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 28   and name HN  ))
      2.900     1.000     1.000 peak   317 spectrum    1 weight  0.10000E+01 volume  0.26595E-02 ppm1      4.136 ppm2      8.340 CV     1
 ASSI {  320}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
      2.600     0.900     0.900 peak   320 spectrum    1 weight  0.10000E+01 volume  0.26595E-02 ppm1      4.696 ppm2      7.325 CV     1
 ASSI {  321}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 46   and name HD2 ))
      2.700     0.900     0.900 peak   321 spectrum    1 weight  0.10000E+01 volume  0.26595E-02 ppm1      2.009 ppm2      2.658 CV     1
 ASSI {  323}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      2.500     0.800     0.800 peak   323 spectrum    1 weight  0.10000E+01 volume  0.26339E-02 ppm1      4.938 ppm2      8.720 CV     1
 ASSI {  324}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 42   and name HN  ))
      3.100     1.200     1.200 peak   324 spectrum    1 weight  0.10000E+01 volume  0.26339E-02 ppm1      1.224 ppm2      7.294 CV     1
 ASSI {  325}
   (( segid "    " and resid 89   and name HB1 ))
   (( segid "    " and resid 89   and name HN  ))
      2.500     0.800     0.800 peak   325 spectrum    1 weight  0.10000E+01 volume  0.26339E-02 ppm1      2.270 ppm2      8.538 CV     1
 ASSI {  328}
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 73   and name HB1 ))
      2.800     1.000     1.000 peak   328 spectrum    1 weight  0.10000E+01 volume  0.26339E-02 ppm1      1.753 ppm2      2.817 CV     1
 ASSI {  329}
   (( segid "    " and resid 91   and name HG2 ))
   (( segid "    " and resid 91   and name HD1 ))
      2.400     0.700     0.700 peak   329 spectrum    1 weight  0.10000E+01 volume  0.26083E-02 ppm1     -0.117 ppm2      2.602 CV     1
 ASSI {  330}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HN  ))
      3.300     1.400     1.400 peak   330 spectrum    1 weight  0.10000E+01 volume  0.26083E-02 ppm1      3.234 ppm2      9.597 CV     1
 ASSI {  333}
   (( segid "    " and resid 25   and name HG1 ))
   (( segid "    " and resid 25   and name HE22))
      3.200     1.300     1.300 peak   333 spectrum    1 weight  0.10000E+01 volume  0.25828E-02 ppm1      1.851 ppm2      6.647 CV     1
 ASSI {  334}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      2.400     0.700     0.700 peak   334 spectrum    1 weight  0.10000E+01 volume  0.25828E-02 ppm1      7.335 ppm2      7.987 CV     1
 ASSI {  335}
   (  segid "    " and resid 87   and name HD1%)
   (( segid "    " and resid 87   and name HB1 ))
      2.600     0.800     0.800 peak   335 spectrum    1 weight  0.10000E+01 volume  0.25572E-02 ppm1     -0.464 ppm2      1.485 CV     1
 ASSI {  336}
   (  segid "    " and resid 104  and name HG2%)
   (( segid "    " and resid 105  and name HN  ))
      3.000     1.100     1.100 peak   336 spectrum    1 weight  0.10000E+01 volume  0.25521E-02 ppm1      0.432 ppm2      7.822 CV     1
 ASSI {  339}
   (  segid "    " and resid 85   and name HG2%)
   (( segid "    " and resid 85   and name HN  ))
      2.600     0.800     0.800 peak   339 spectrum    1 weight  0.10000E+01 volume  0.25469E-02 ppm1      0.262 ppm2      8.593 CV     1
 ASSI {  342}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 93   and name HE3 ))
      2.700     0.900     0.900 peak   342 spectrum    1 weight  0.10000E+01 volume  0.25189E-02 ppm1      6.887 ppm2      7.556 CV     1
 ASSI {  343}
   (( segid "    " and resid 68   and name HA1 ))
   (( segid "    " and resid 69   and name HN  ))
      2.900     1.100     1.100 peak   343 spectrum    1 weight  0.10000E+01 volume  0.25137E-02 ppm1      4.013 ppm2      8.220 CV     1
 ASSI {  345}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HB1 ))
      2.300     0.700     0.700 peak   345 spectrum    1 weight  0.10000E+01 volume  0.25061E-02 ppm1      3.788 ppm2      3.942 CV     1
 ASSI {  350}
   (( segid "    " and resid 63   and name HD1 ))
   (( segid "    " and resid 61   and name HB1 ))
      2.900     1.100     1.100 peak   350 spectrum    1 weight  0.10000E+01 volume  0.24932E-02 ppm1      1.654 ppm2      2.631 CV     1
 ASSI {  351}
   (  segid "    " and resid 32   and name HG2%)
   (  segid "    " and resid 34   and name HE% )
      2.700     0.900     0.900 peak   351 spectrum    1 weight  0.10000E+01 volume  0.24932E-02 ppm1      1.299 ppm2      7.114 CV     1
 ASSI {  352}
   (( segid "    " and resid 40   and name HA2 ))
   (( segid "    " and resid 40   and name HN  ))
      2.300     0.700     0.700 peak   352 spectrum    1 weight  0.10000E+01 volume  0.24882E-02 ppm1      3.787 ppm2      8.915 CV     1
 ASSI {  356}
   (( segid "    " and resid 103  and name HA  ))
   (  segid "    " and resid 103  and name HD% )
      2.900     1.000     1.000 peak   356 spectrum    1 weight  0.10000E+01 volume  0.24600E-02 ppm1      4.692 ppm2      6.689 CV     1
 ASSI {  359}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 2    and name HN  ))
      2.700     0.900     0.900 peak   359 spectrum    1 weight  0.10000E+01 volume  0.24549E-02 ppm1      4.501 ppm2      8.330 CV     1
 ASSI {  360}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      3.000     1.100     1.100 peak   360 spectrum    1 weight  0.10000E+01 volume  0.24294E-02 ppm1      4.470 ppm2      8.054 CV     1
 ASSI {  364}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
      2.900     1.000     1.000 peak   364 spectrum    1 weight  0.10000E+01 volume  0.24063E-02 ppm1      3.814 ppm2      2.701 CV     1
 ASSI {  365}
   (  segid "    " and resid 85   and name HG2%)
   (( segid "    " and resid 24   and name HG11))
      2.400     0.700     0.700 peak   365 spectrum    1 weight  0.10000E+01 volume  0.24038E-02 ppm1      0.263 ppm2      1.544 CV     1
 ASSI {  366}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 25   and name HN  ))
      3.000     1.100     1.100 peak   366 spectrum    1 weight  0.10000E+01 volume  0.23961E-02 ppm1      1.094 ppm2      8.419 CV     1
 ASSI {  368}
   (  segid "    " and resid 75   and name HG1%)
   (( segid "    " and resid 46   and name HD1 ))
      3.100     1.200     1.200 peak   368 spectrum    1 weight  0.10000E+01 volume  0.23936E-02 ppm1      0.943 ppm2      3.197 CV     1
 ASSI {  372}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      3.100     1.200     1.200 peak   372 spectrum    1 weight  0.11000E+01 volume  0.23757E-02 ppm1      7.957 ppm2      9.140 CV     1
 ASSI {  382}
   (( segid "    " and resid 95   and name HA1 ))
   (( segid "    " and resid 95   and name HN  ))
      2.600     0.900     0.900 peak   382 spectrum    1 weight  0.10000E+01 volume  0.23424E-02 ppm1      4.208 ppm2      7.585 CV     1
 ASSI {  386}
   (( segid "    " and resid 50   and name HG1 ))
   (  segid "    " and resid 51   and name HD% )
      2.600     2.600     3.400 peak   386 spectrum    1 weight  0.10000E+01 volume  0.23245E-02 ppm1      2.770 ppm2      6.654 CV     1
 ASSI {  389}
   (( segid "    " and resid 11   and name HA1 ))
   (( segid "    " and resid 11   and name HN  ))
      2.700     0.900     0.900 peak   389 spectrum    1 weight  0.10000E+01 volume  0.23066E-02 ppm1      4.228 ppm2      9.673 CV     1
 ASSI {  391}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      2.700     0.900     0.900 peak   391 spectrum    1 weight  0.10000E+01 volume  0.23040E-02 ppm1      4.349 ppm2      7.778 CV     1
 ASSI {  392}
   (( segid "    " and resid 42   and name HB  ))
   (( segid "    " and resid 43   and name HN  ))
      2.800     1.000     1.000 peak   392 spectrum    1 weight  0.10000E+01 volume  0.23040E-02 ppm1      4.407 ppm2      9.141 CV     1
 ASSI {  395}
   (( segid "    " and resid 102  and name HB1 ))
   (( segid "    " and resid 102  and name HN  ))
      2.800     1.000     1.000 peak   395 spectrum    1 weight  0.10000E+01 volume  0.22938E-02 ppm1      1.993 ppm2      8.490 CV     1
 ASSI {  396}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      2.700     0.900     0.900 peak   396 spectrum    1 weight  0.10000E+01 volume  0.22887E-02 ppm1      3.990 ppm2      7.260 CV     1
 ASSI {  397}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 26   and name HN  ))
      3.100     1.200     1.200 peak   397 spectrum    1 weight  0.10000E+01 volume  0.22836E-02 ppm1      0.514 ppm2      8.552 CV     1
 ASSI {  398}
   (  segid "    " and resid 79   and name HB% )
   (( segid "    " and resid 47   and name HB1 ))
      2.800     0.900     0.900 peak   398 spectrum    1 weight  0.10000E+01 volume  0.22811E-02 ppm1      1.564 ppm2      2.631 CV     1
 ASSI {  401}
   (( segid "    " and resid 45   and name HB1 ))
   (  segid "    " and resid 53   and name HG1%)
      3.000     1.100     1.100 peak   401 spectrum    1 weight  0.10000E+01 volume  0.22759E-02 ppm1      3.988 ppm2      1.319 CV     1
 ASSI {  402}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 85   and name HN  ))
      3.000     1.100     1.100 peak   402 spectrum    1 weight  0.10000E+01 volume  0.22733E-02 ppm1      5.078 ppm2      8.559 CV     1
 ASSI {  403}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 9   and name HB1 ))
      2.500     0.800     0.800 peak   403 spectrum    1 weight  0.10000E+01 volume  0.22733E-02 ppm1      1.536 ppm2      3.466 CV     1
 ASSI {  406}
   (( segid "    " and resid 59   and name HG1 ))
   (( segid "    " and resid 59   and name HD1 ))
      2.500     0.800     0.800 peak   406 spectrum    1 weight  0.10000E+01 volume  0.22580E-02 ppm1      2.048 ppm2      3.668 CV     1
 ASSI {  408}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      2.700     0.900     0.900 peak   408 spectrum    1 weight  0.11000E+01 volume  0.22529E-02 ppm1      4.456 ppm2      7.328 CV     1
 ASSI {  409}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 30   and name HG2 ))
      2.500     0.800     0.800 peak   409 spectrum    1 weight  0.10000E+01 volume  0.22503E-02 ppm1      3.583 ppm2      1.235 CV     1
 ASSI {  410}
   (( segid "    " and resid 27   and name HD2 ))
   (( segid "    " and resid 27   and name HG1 ))
      2.700     0.900     0.900 peak   410 spectrum    1 weight  0.10000E+01 volume  0.22453E-02 ppm1      3.368 ppm2      2.182 CV     1
 ASSI {  413}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 83   and name HN  ))
      2.800     1.000     1.000 peak   413 spectrum    1 weight  0.10000E+01 volume  0.22274E-02 ppm1      2.792 ppm2      9.029 CV     1
 ASSI {  416}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 106  and name HD% )
      3.100     1.200     1.200 peak   416 spectrum    1 weight  0.10000E+01 volume  0.22197E-02 ppm1      5.323 ppm2      6.688 CV     1
 ASSI {  417}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HN  ))
      2.900     1.000     1.000 peak   417 spectrum    1 weight  0.10000E+01 volume  0.22069E-02 ppm1      2.631 ppm2      8.386 CV     1
 ASSI {  418}
   (( segid "    " and resid 95   and name HA2 ))
   (( segid "    " and resid 95   and name HN  ))
      2.200     0.600     0.600 peak   418 spectrum    1 weight  0.10000E+01 volume  0.22018E-02 ppm1      3.776 ppm2      7.585 CV     1
 ASSI {  419}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 5    and name HN  ))
      3.000     1.100     1.100 peak   419 spectrum    1 weight  0.10000E+01 volume  0.22018E-02 ppm1      0.541 ppm2      8.941 CV     1
 ASSI {  420}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HB1 ))
      2.500     0.800     0.800 peak   420 spectrum    1 weight  0.10000E+01 volume  0.21966E-02 ppm1     -0.653 ppm2      0.513 CV     1
 ASSI {  422}
   (( segid "    " and resid 66   and name HA1 ))
   (( segid "    " and resid 67   and name HN  ))
      2.700     0.900     0.900 peak   422 spectrum    1 weight  0.10000E+01 volume  0.21940E-02 ppm1      4.013 ppm2      7.675 CV     1
 ASSI {  423}
   (( segid "    " and resid 30   and name HD1 ))
   (( segid "    " and resid 30   and name HG2 ))
      3.000     1.100     1.100 peak   423 spectrum    1 weight  0.10000E+01 volume  0.21813E-02 ppm1      3.885 ppm2      1.232 CV     1
 ASSI {  424}
   (( segid "    " and resid 91   and name HB1 ))
   (( segid "    " and resid 91   and name HD1 ))
      2.600     0.800     0.800 peak   424 spectrum    1 weight  0.10000E+01 volume  0.21787E-02 ppm1      0.746 ppm2      2.599 CV     1
 ASSI {  430}
   (( segid "    " and resid 81   and name HA2 ))
   (( segid "    " and resid 81   and name HN  ))
      2.900     1.000     1.000 peak   430 spectrum    1 weight  0.10000E+01 volume  0.21506E-02 ppm1      3.673 ppm2      8.450 CV     1
 ASSI {  432}
   (  segid "    " and resid 38   and name HD% )
   (( segid "    " and resid 38   and name HN  ))
      3.100     1.200     1.200 peak   432 spectrum    1 weight  0.10000E+01 volume  0.21455E-02 ppm1      7.497 ppm2      8.962 CV     1
 ASSI {  434}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HN  ))
      2.600     0.900     0.900 peak   434 spectrum    1 weight  0.10000E+01 volume  0.21302E-02 ppm1      3.108 ppm2      7.259 CV     1
 ASSI {  435}
   (( segid "    " and resid 103  and name HB1 ))
   (  segid "    " and resid 103  and name HD% )
      2.600     0.900     0.900 peak   435 spectrum    1 weight  0.10000E+01 volume  0.21302E-02 ppm1      2.590 ppm2      6.686 CV     1
 ASSI {  436}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 92   and name HB1 ))
      2.600     0.800     0.800 peak   436 spectrum    1 weight  0.10000E+01 volume  0.21225E-02 ppm1      3.577 ppm2      1.680 CV     1
 ASSI {  437}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 91   and name HN  ))
      2.400     0.700     0.700 peak   437 spectrum    1 weight  0.10000E+01 volume  0.21199E-02 ppm1      4.651 ppm2      7.630 CV     1
 ASSI {  438}
   (  segid "    " and resid 75   and name HG1%)
   (( segid "    " and resid 75   and name HN  ))
      2.700     0.900     0.900 peak   438 spectrum    1 weight  0.10000E+01 volume  0.21199E-02 ppm1      0.917 ppm2      9.789 CV     1
 ASSI {  440}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HN  ))
      2.400     0.700     0.700 peak   440 spectrum    1 weight  0.10000E+01 volume  0.21173E-02 ppm1      1.874 ppm2      9.593 CV     1
 ASSI {  444}
   (  segid "    " and resid 5    and name HG1%)
   (( segid "    " and resid 9   and name HB2 ))
      2.300     0.700     0.700 peak   444 spectrum    1 weight  0.10000E+01 volume  0.20944E-02 ppm1      0.844 ppm2      3.287 CV     1
 ASSI {  446}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 90   and name HG1 ))
      3.000     1.200     1.200 peak   446 spectrum    1 weight  0.10000E+01 volume  0.20867E-02 ppm1      4.503 ppm2      2.511 CV     1
 ASSI {  452}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HN  ))
      2.600     0.800     0.800 peak   452 spectrum    1 weight  0.10000E+01 volume  0.20713E-02 ppm1      3.015 ppm2      9.599 CV     1
 ASSI {  455}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 57   and name HN  ))
      3.100     1.200     1.200 peak   455 spectrum    1 weight  0.10000E+01 volume  0.20611E-02 ppm1      3.101 ppm2      8.426 CV     1
 ASSI {  456}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 25   and name HE22))
      3.400     3.400     2.600 peak   456 spectrum    1 weight  0.10000E+01 volume  0.20534E-02 ppm1      3.912 ppm2      6.636 CV     1
 ASSI {  457}
   (  segid "    " and resid 87   and name HD1%)
   (( segid "    " and resid 87   and name HB2 ))
      2.600     0.800     0.800 peak   457 spectrum    1 weight  0.10000E+01 volume  0.20509E-02 ppm1     -0.463 ppm2      1.243 CV     1
 ASSI {  458}
   (( segid "    " and resid 41   and name HA1 ))
   (  segid "    " and resid 37   and name HD% )
      3.600     1.600     1.600 peak   458 spectrum    1 weight  0.10000E+01 volume  0.20483E-02 ppm1      3.878 ppm2      6.835 CV     1
 ASSI {  459}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 43   and name HN  ))
      3.300     1.400     1.400 peak   459 spectrum    1 weight  0.10000E+01 volume  0.20407E-02 ppm1      1.230 ppm2      9.144 CV     1
 ASSI {  460}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HN  ))
      2.600     0.800     0.800 peak   460 spectrum    1 weight  0.10000E+01 volume  0.20381E-02 ppm1      2.590 ppm2      9.601 CV     1
 ASSI {  461}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB1 ))
      2.900     1.000     1.000 peak   461 spectrum    1 weight  0.10000E+01 volume  0.20356E-02 ppm1      4.658 ppm2      1.302 CV     1
 ASSI {  462}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 83   and name HD2 ))
      3.500     1.500     1.500 peak   462 spectrum    1 weight  0.11000E+01 volume  0.20330E-02 ppm1      3.585 ppm2      6.717 CV     1
 ASSI {  463}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 38   and name HN  ))
      2.300     0.700     0.700 peak   463 spectrum    1 weight  0.10000E+01 volume  0.20304E-02 ppm1      3.144 ppm2      8.965 CV     1
 ASSI {  464}
   (  segid "    " and resid 22   and name HG1%)
   (( segid "    " and resid 22   and name HN  ))
      3.100     1.200     1.200 peak   464 spectrum    1 weight  0.10000E+01 volume  0.20278E-02 ppm1      0.820 ppm2      9.381 CV     1
 ASSI {  465}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      2.600     0.900     0.900 peak   465 spectrum    1 weight  0.10000E+01 volume  0.20177E-02 ppm1      4.117 ppm2      8.914 CV     1
 ASSI {  467}
   (( segid "    " and resid 51   and name HB1 ))
   (  segid "    " and resid 51   and name HE% )
      3.300     1.400     1.400 peak   467 spectrum    1 weight  0.10000E+01 volume  0.20125E-02 ppm1      2.908 ppm2      7.113 CV     1
 ASSI {  469}
   (  segid "    " and resid 88   and name HG2%)
   (( segid "    " and resid 102  and name HB1 ))
      3.700     1.700     1.700 peak   469 spectrum    1 weight  0.10000E+01 volume  0.20125E-02 ppm1      1.095 ppm2      2.009 CV     1
 ASSI {  473}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      2.800     1.000     1.000 peak   473 spectrum    1 weight  0.10000E+01 volume  0.19946E-02 ppm1      4.605 ppm2      8.642 CV     1
 ASSI {  476}
   (( segid "    " and resid 93   and name HB2 ))
   (( segid "    " and resid 93   and name HN  ))
      3.300     1.300     1.300 peak   476 spectrum    1 weight  0.10000E+01 volume  0.19869E-02 ppm1      3.221 ppm2      6.883 CV     1
 ASSI {  477}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 89   and name HN  ))
      2.600     0.800     0.800 peak   477 spectrum    1 weight  0.11000E+01 volume  0.19819E-02 ppm1      0.043 ppm2      8.536 CV     1
 ASSI {  479}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 52   and name HN  ))
      2.800     1.000     1.000 peak   479 spectrum    1 weight  0.10000E+01 volume  0.19716E-02 ppm1      4.040 ppm2      8.825 CV     1
 ASSI {  480}
   (  segid "    " and resid 16   and name HG2%)
   (( segid "    " and resid 108  and name HG1 ))
      3.300     1.300     1.300 peak   480 spectrum    1 weight  0.10000E+01 volume  0.19614E-02 ppm1      0.271 ppm2      1.217 CV     1
 ASSI {  481}
   (  segid "    " and resid 104  and name HG2%)
   (  segid "    " and resid 106  and name HE% )
      2.900     1.000     1.000 peak   481 spectrum    1 weight  0.10000E+01 volume  0.19588E-02 ppm1      0.431 ppm2      6.576 CV     1
 ASSI {  482}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 73   and name HN  ))
      3.200     1.300     1.300 peak   482 spectrum    1 weight  0.10000E+01 volume  0.19563E-02 ppm1      2.820 ppm2      9.604 CV     1
 ASSI {  484}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HN  ))
      3.300     1.300     1.300 peak   484 spectrum    1 weight  0.10000E+01 volume  0.19461E-02 ppm1      1.761 ppm2      8.493 CV     1
 ASSI {  486}
   (( segid "    " and resid 108  and name HA  ))
   (( segid "    " and resid 108  and name HN  ))
      2.700     0.900     0.900 peak   486 spectrum    1 weight  0.10000E+01 volume  0.19384E-02 ppm1      4.780 ppm2      9.141 CV     1
 ASSI {  487}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 30   and name HB1 ))
      2.900     1.100     1.100 peak   487 spectrum    1 weight  0.10000E+01 volume  0.19384E-02 ppm1      1.239 ppm2      2.112 CV     1
 ASSI {  489}
   (  segid "    " and resid 34   and name HD% )
   (( segid "    " and resid 34   and name HN  ))
      2.800     1.000     1.000 peak   489 spectrum    1 weight  0.10000E+01 volume  0.19358E-02 ppm1      6.501 ppm2      7.551 CV     1
 ASSI {  491}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 72   and name HN  ))
      2.900     1.100     1.100 peak   491 spectrum    1 weight  0.10000E+01 volume  0.19282E-02 ppm1      3.049 ppm2      9.301 CV     1
 ASSI {  493}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 105  and name HN  ))
      3.100     1.200     1.200 peak   493 spectrum    1 weight  0.10000E+01 volume  0.19179E-02 ppm1      0.673 ppm2      7.819 CV     1
 ASSI {  494}
   (( segid "    " and resid 101  and name HB1 ))
   (( segid "    " and resid 101  and name HN  ))
      2.800     0.900     0.900 peak   494 spectrum    1 weight  0.10000E+01 volume  0.19153E-02 ppm1      1.944 ppm2      8.720 CV     1
 ASSI {  495}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      2.900     1.100     1.100 peak   495 spectrum    1 weight  0.10000E+01 volume  0.19103E-02 ppm1      4.354 ppm2      7.673 CV     1
 ASSI {  496}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 110  and name HN  ))
      3.100     1.200     1.200 peak   496 spectrum    1 weight  0.10000E+01 volume  0.19051E-02 ppm1      5.086 ppm2      8.122 CV     1
 ASSI {  497}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HG1 ))
      3.500     1.500     1.500 peak   497 spectrum    1 weight  0.10000E+01 volume  0.19026E-02 ppm1      4.290 ppm2      2.412 CV     1
 ASSI {  498}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 24   and name HG11))
      2.700     0.900     0.900 peak   498 spectrum    1 weight  0.10000E+01 volume  0.18949E-02 ppm1      0.127 ppm2      1.550 CV     1
 ASSI {  501}
   (( segid "    " and resid 30   and name HD1 ))
   (( segid "    " and resid 30   and name HG1 ))
      2.500     0.800     0.800 peak   501 spectrum    1 weight  0.10000E+01 volume  0.18898E-02 ppm1      3.885 ppm2      1.401 CV     1
 ASSI {  503}
   (( segid "    " and resid 3    and name HB1 ))
   (( segid "    " and resid 3    and name HN  ))
      2.600     0.900     0.900 peak   503 spectrum    1 weight  0.10000E+01 volume  0.18872E-02 ppm1      3.035 ppm2      8.600 CV     1
 ASSI {  504}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 110  and name HN  ))
      2.700     0.900     0.900 peak   504 spectrum    1 weight  0.10000E+01 volume  0.18847E-02 ppm1      4.533 ppm2      8.126 CV     1
 ASSI {  505}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 51   and name HD% )
      2.800     1.000     1.000 peak   505 spectrum    1 weight  0.10000E+01 volume  0.18795E-02 ppm1      5.079 ppm2      6.683 CV     1
 ASSI {  507}
   (( segid "    " and resid 57   and name HB1 ))
   (  segid "    " and resid 58   and name HD% )
      3.400     3.400     2.600 peak   507 spectrum    1 weight  0.10000E+01 volume  0.18770E-02 ppm1      3.101 ppm2      6.835 CV     1
 ASSI {  510}
   (( segid "    " and resid 26   and name HG  ))
   (( segid "    " and resid 26   and name HN  ))
      3.300     1.400     1.400 peak   510 spectrum    1 weight  0.10000E+01 volume  0.18719E-02 ppm1      0.369 ppm2      8.548 CV     1
 ASSI {  511}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      2.800     1.000     1.000 peak   511 spectrum    1 weight  0.11000E+01 volume  0.18668E-02 ppm1      4.813 ppm2      8.826 CV     1
 ASSI {  512}
   (  segid "    " and resid 16   and name HG2%)
   (( segid "    " and resid 16   and name HN  ))
      2.700     0.900     0.900 peak   512 spectrum    1 weight  0.10000E+01 volume  0.18540E-02 ppm1      0.270 ppm2      8.643 CV     1
 ASSI {  514}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      3.000     1.100     1.100 peak   514 spectrum    1 weight  0.10000E+01 volume  0.18463E-02 ppm1      2.938 ppm2      7.259 CV     1
 ASSI {  515}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9   and name HN  ))
      2.700     0.900     0.900 peak   515 spectrum    1 weight  0.10000E+01 volume  0.18463E-02 ppm1      7.259 ppm2      8.172 CV     1
 ASSI {  516}
   (( segid "    " and resid 107  and name HB1 ))
   (( segid "    " and resid 16   and name HN  ))
      3.200     1.300     1.300 peak   516 spectrum    1 weight  0.10000E+01 volume  0.18463E-02 ppm1      1.900 ppm2      8.671 CV     1
 ASSI {  520}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 39   and name HN  ))
      2.800     1.000     1.000 peak   520 spectrum    1 weight  0.10000E+01 volume  0.18386E-02 ppm1      3.145 ppm2      9.168 CV     1
 ASSI {  522}
   (( segid "    " and resid 9   and name HB1 ))
   (( segid "    " and resid 9   and name HN  ))
      3.200     1.300     1.300 peak   522 spectrum    1 weight  0.10000E+01 volume  0.18361E-02 ppm1      3.454 ppm2      8.171 CV     1
 ASSI {  523}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 36   and name HE1 ))
      3.300     1.300     1.300 peak   523 spectrum    1 weight  0.10000E+01 volume  0.18335E-02 ppm1      0.399 ppm2     10.271 CV     1
 ASSI {  526}
   (  segid "    " and resid 5    and name HG1%)
   (( segid "    " and resid 6    and name HN  ))
      2.500     0.800     0.800 peak   526 spectrum    1 weight  0.10000E+01 volume  0.18284E-02 ppm1      0.841 ppm2     10.255 CV     1
 ASSI {  527}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 6    and name HN  ))
      3.000     1.200     1.200 peak   527 spectrum    1 weight  0.10000E+01 volume  0.18258E-02 ppm1      1.096 ppm2     10.248 CV     1
 ASSI {  528}
   (  segid "    " and resid 51   and name HD% )
   (( segid "    " and resid 51   and name HZ  ))
      3.300     1.400     1.400 peak   528 spectrum    1 weight  0.10000E+01 volume  0.18233E-02 ppm1      6.652 ppm2      7.313 CV     1
 ASSI {  530}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 52   and name HN  ))
      3.600     1.600     1.600 peak   530 spectrum    1 weight  0.10000E+01 volume  0.18157E-02 ppm1      2.703 ppm2      8.823 CV     1
 ASSI {  532}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 106  and name HN  ))
      2.900     1.100     1.100 peak   532 spectrum    1 weight  0.10000E+01 volume  0.18028E-02 ppm1      0.669 ppm2      8.650 CV     1
 ASSI {  535}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 104  and name HN  ))
      2.600     0.800     0.800 peak   535 spectrum    1 weight  0.10000E+01 volume  0.18002E-02 ppm1      3.990 ppm2      7.545 CV     1
 ASSI {  538}
   (( segid "    " and resid 100  and name HB2 ))
   (( segid "    " and resid 100  and name HN  ))
      3.000     1.100     1.100 peak   538 spectrum    1 weight  0.10000E+01 volume  0.17849E-02 ppm1      3.713 ppm2      7.542 CV     1
 ASSI {  543}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 47   and name HD22))
      3.700     1.700     1.700 peak   543 spectrum    1 weight  0.10000E+01 volume  0.17568E-02 ppm1      2.603 ppm2      7.017 CV     1
 ASSI {  544}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 34   and name HN  ))
      3.200     1.300     1.300 peak   544 spectrum    1 weight  0.10000E+01 volume  0.17543E-02 ppm1      2.343 ppm2      7.547 CV     1
 ASSI {  546}
   (( segid "    " and resid 25   and name HG1 ))
   (( segid "    " and resid 26   and name HN  ))
      3.300     1.300     1.300 peak   546 spectrum    1 weight  0.10000E+01 volume  0.17517E-02 ppm1      1.819 ppm2      8.558 CV     1
 ASSI {  547}
   (  segid "    " and resid 80   and name HB% )
   (( segid "    " and resid 81   and name HN  ))
      3.700     1.700     1.700 peak   547 spectrum    1 weight  0.10000E+01 volume  0.17491E-02 ppm1      1.409 ppm2      8.449 CV     1
 ASSI {  548}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 87   and name HN  ))
      3.300     1.400     1.400 peak   548 spectrum    1 weight  0.10000E+01 volume  0.17338E-02 ppm1      5.322 ppm2      9.333 CV     1
 ASSI {  551}
   (( segid "    " and resid 44   and name HB1 ))
   (( segid "    " and resid 44   and name HN  ))
      3.000     1.100     1.100 peak   551 spectrum    1 weight  0.10000E+01 volume  0.17286E-02 ppm1      2.102 ppm2      7.953 CV     1
 ASSI {  552}
   (  segid "    " and resid 73   and name HD% )
   (( segid "    " and resid 73   and name HN  ))
      3.000     1.100     1.100 peak   552 spectrum    1 weight  0.10000E+01 volume  0.17236E-02 ppm1      6.882 ppm2      9.604 CV     1
 ASSI {  553}
   (( segid "    " and resid 102  and name HB1 ))
   (( segid "    " and resid 102  and name HD1 ))
      2.900     1.000     1.000 peak   553 spectrum    1 weight  0.10000E+01 volume  0.17236E-02 ppm1      1.989 ppm2      3.144 CV     1
 ASSI {  557}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 101  and name HN  ))
      2.800     1.000     1.000 peak   557 spectrum    1 weight  0.10000E+01 volume  0.17082E-02 ppm1      4.497 ppm2      8.672 CV     1
 ASSI {  560}
   (( segid "    " and resid 44   and name HG1 ))
   (( segid "    " and resid 44   and name HN  ))
      3.300     1.400     1.400 peak   560 spectrum    1 weight  0.10000E+01 volume  0.17006E-02 ppm1      2.338 ppm2      7.954 CV     1
 ASSI {  561}
   (( segid "    " and resid 102  and name HA  ))
   (( segid "    " and resid 89   and name HN  ))
      2.600     0.900     0.900 peak   561 spectrum    1 weight  0.10000E+01 volume  0.16903E-02 ppm1      5.345 ppm2      8.541 CV     1
 ASSI {  562}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 3    and name HN  ))
      3.200     1.200     1.200 peak   562 spectrum    1 weight  0.10000E+01 volume  0.16801E-02 ppm1      0.671 ppm2      8.598 CV     1
 ASSI {  563}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 104  and name HN  ))
      2.800     0.900     0.900 peak   563 spectrum    1 weight  0.10000E+01 volume  0.16801E-02 ppm1      5.318 ppm2      7.557 CV     1
 ASSI {  564}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 22   and name HN  ))
      3.100     1.200     1.200 peak   564 spectrum    1 weight  0.10000E+01 volume  0.16750E-02 ppm1      0.664 ppm2      9.382 CV     1
 ASSI {  565}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 77   and name HG2%)
      2.900     1.000     1.000 peak   565 spectrum    1 weight  0.10000E+01 volume  0.16698E-02 ppm1      3.817 ppm2      0.820 CV     1
 ASSI {  570}
   (  segid "    " and resid 37   and name HD% )
   (( segid "    " and resid 38   and name HN  ))
      3.000     1.100     1.100 peak   570 spectrum    1 weight  0.10000E+01 volume  0.16392E-02 ppm1      6.832 ppm2      8.966 CV     1
 ASSI {  571}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 103  and name HD% )
      2.600     0.800     0.800 peak   571 spectrum    1 weight  0.10000E+01 volume  0.16392E-02 ppm1      2.936 ppm2      6.691 CV     1
 ASSI {  572}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 52   and name HN  ))
      3.000     1.100     1.100 peak   572 spectrum    1 weight  0.10000E+01 volume  0.16392E-02 ppm1      1.240 ppm2      8.827 CV     1
 ASSI {  573}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      3.000     1.100     1.100 peak   573 spectrum    1 weight  0.10000E+01 volume  0.16340E-02 ppm1      5.095 ppm2      7.290 CV     1
 ASSI {  574}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 77   and name HN  ))
      3.000     1.200     1.200 peak   574 spectrum    1 weight  0.10000E+01 volume  0.16340E-02 ppm1      0.585 ppm2      8.651 CV     1
 ASSI {  575}
   (( segid "    " and resid 9   and name HB2 ))
   (( segid "    " and resid 9   and name HN  ))
      2.600     0.800     0.800 peak   575 spectrum    1 weight  0.10000E+01 volume  0.16315E-02 ppm1      3.285 ppm2      8.173 CV     1
 ASSI {  576}
   (  segid "    " and resid 85   and name HG1%)
   (( segid "    " and resid 86   and name HN  ))
      3.300     1.300     1.300 peak   576 spectrum    1 weight  0.10000E+01 volume  0.16264E-02 ppm1      0.586 ppm2      8.764 CV     1
 ASSI {  577}
   (( segid "    " and resid 33   and name HA2 ))
   (  segid "    " and resid 32   and name HG2%)
      3.500     1.500     1.500 peak   577 spectrum    1 weight  0.10000E+01 volume  0.16213E-02 ppm1      3.701 ppm2      1.300 CV     1
 ASSI {  578}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 98   and name HB1 ))
      3.000     1.100     1.100 peak   578 spectrum    1 weight  0.10000E+01 volume  0.16187E-02 ppm1      4.405 ppm2      3.254 CV     1
 ASSI {  581}
   (( segid "    " and resid 9   and name HA  ))
   (( segid "    " and resid 9   and name HN  ))
      2.900     1.000     1.000 peak   581 spectrum    1 weight  0.10000E+01 volume  0.16136E-02 ppm1      4.456 ppm2      8.171 CV     1
 ASSI {  588}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 56   and name HN  ))
      3.100     1.200     1.200 peak   588 spectrum    1 weight  0.10000E+01 volume  0.15932E-02 ppm1      2.140 ppm2      8.332 CV     1
 ASSI {  589}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 21   and name HN  ))
      2.400     0.700     0.700 peak   589 spectrum    1 weight  0.10000E+01 volume  0.15906E-02 ppm1      2.064 ppm2      8.212 CV     1
 ASSI {  590}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 36   and name HZ3 ))
      3.600     1.600     1.600 peak   590 spectrum    1 weight  0.10000E+01 volume  0.15880E-02 ppm1      5.164 ppm2      6.752 CV     1
 ASSI {  593}
   (( segid "    " and resid 87   and name HG  ))
   (( segid "    " and resid 87   and name HN  ))
      2.700     0.900     0.900 peak   593 spectrum    1 weight  0.10000E+01 volume  0.15803E-02 ppm1      0.658 ppm2      9.333 CV     1
 ASSI {  594}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 14   and name HN  ))
      3.000     1.100     1.100 peak   594 spectrum    1 weight  0.10000E+01 volume  0.15778E-02 ppm1      1.305 ppm2      9.243 CV     1
 ASSI {  598}
   (  segid "    " and resid 85   and name HG1%)
   (( segid "    " and resid 85   and name HN  ))
      3.500     1.500     1.500 peak   598 spectrum    1 weight  0.10000E+01 volume  0.15701E-02 ppm1      0.585 ppm2      8.595 CV     1
 ASSI {  604}
   (  segid "    " and resid 87   and name HD2%)
   (  segid "    " and resid 38   and name HE% )
      2.900     1.100     1.100 peak   604 spectrum    1 weight  0.11000E+01 volume  0.15344E-02 ppm1     -0.808 ppm2      6.881 CV     1
 ASSI {  608}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      2.800     1.000     1.000 peak   608 spectrum    1 weight  0.10000E+01 volume  0.15241E-02 ppm1      4.852 ppm2      8.212 CV     1
 ASSI {  610}
   (  segid "    " and resid 35   and name HB% )
   (  segid "    " and resid 37   and name HE% )
      2.800     1.000     1.000 peak   610 spectrum    1 weight  0.10000E+01 volume  0.15165E-02 ppm1      1.237 ppm2      6.720 CV     1
 ASSI {  611}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 35   and name HN  ))
      3.500     1.500     1.500 peak   611 spectrum    1 weight  0.10000E+01 volume  0.15113E-02 ppm1      0.749 ppm2      7.855 CV     1
 ASSI {  614}
   (( segid "    " and resid 25   and name HG1 ))
   (( segid "    " and resid 25   and name HE21))
      3.500     1.500     1.500 peak   614 spectrum    1 weight  0.10000E+01 volume  0.14986E-02 ppm1      1.833 ppm2      7.240 CV     1
 ASSI {  616}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 43   and name HN  ))
      2.900     1.100     1.100 peak   616 spectrum    1 weight  0.10000E+01 volume  0.14960E-02 ppm1      2.158 ppm2      9.167 CV     1
 ASSI {  618}
   (( segid "    " and resid 63   and name HD1 ))
   (( segid "    " and resid 63   and name HN  ))
      3.000     1.100     1.100 peak   618 spectrum    1 weight  0.10000E+01 volume  0.14934E-02 ppm1      1.692 ppm2      8.492 CV     1
 ASSI {  619}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 46   and name HD2 ))
      3.200     1.300     1.300 peak   619 spectrum    1 weight  0.10000E+01 volume  0.14908E-02 ppm1      0.584 ppm2      2.696 CV     1
 ASSI {  624}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 50   and name HN  ))
      2.900     1.000     1.000 peak   624 spectrum    1 weight  0.10000E+01 volume  0.14807E-02 ppm1      2.226 ppm2      7.335 CV     1
 ASSI {  625}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 9   and name HN  ))
      3.000     1.100     1.100 peak   625 spectrum    1 weight  0.10000E+01 volume  0.14807E-02 ppm1      1.078 ppm2      8.170 CV     1
 ASSI {  626}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HD21))
      2.600     0.800     0.800 peak   626 spectrum    1 weight  0.10000E+01 volume  0.14755E-02 ppm1      2.936 ppm2      7.809 CV     1
 ASSI {  627}
   (( segid "    " and resid 100  and name HB2 ))
   (  segid "    " and resid 88   and name HG2%)
      3.100     1.200     1.200 peak   627 spectrum    1 weight  0.10000E+01 volume  0.14755E-02 ppm1      3.714 ppm2      1.092 CV     1
 ASSI {  628}
   (( segid "    " and resid 106  and name HB1 ))
   (  segid "    " and resid 106  and name HE% )
      3.800     1.800     1.800 peak   628 spectrum    1 weight  0.10000E+01 volume  0.14730E-02 ppm1      3.147 ppm2      6.570 CV     1
 ASSI {  633}
   (( segid "    " and resid 27   and name HD2 ))
   (  segid "    " and resid 26   and name HD1%)
      2.600     0.800     0.800 peak   633 spectrum    1 weight  0.10000E+01 volume  0.14602E-02 ppm1      3.368 ppm2     -0.653 CV     1
 ASSI {  639}
   (( segid "    " and resid 91   and name HB1 ))
   (( segid "    " and resid 91   and name HN  ))
      3.400     1.400     1.400 peak   639 spectrum    1 weight  0.10000E+01 volume  0.14473E-02 ppm1      0.742 ppm2      7.634 CV     1
 ASSI {  640}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HE3 ))
      3.700     1.700     1.700 peak   640 spectrum    1 weight  0.10000E+01 volume  0.14346E-02 ppm1      2.642 ppm2      7.068 CV     1
 ASSI {  641}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 36   and name HD1 ))
      3.000     1.100     1.100 peak   641 spectrum    1 weight  0.10000E+01 volume  0.14320E-02 ppm1      0.402 ppm2      7.404 CV     1
 ASSI {  643}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 88   and name HN  ))
      2.800     1.000     1.000 peak   643 spectrum    1 weight  0.10000E+01 volume  0.14320E-02 ppm1      9.104 ppm2      9.394 CV     1
 ASSI {  644}
   (( segid "    " and resid 93   and name HB1 ))
   (( segid "    " and resid 93   and name HN  ))
      2.800     1.000     1.000 peak   644 spectrum    1 weight  0.10000E+01 volume  0.14269E-02 ppm1      3.311 ppm2      6.885 CV     1
 ASSI {  648}
   (( segid "    " and resid 91   and name HB1 ))
   (( segid "    " and resid 95   and name HN  ))
      2.400     0.700     0.700 peak   648 spectrum    1 weight  0.10000E+01 volume  0.14218E-02 ppm1      0.760 ppm2      7.550 CV     1
 ASSI {  649}
   (( segid "    " and resid 66   and name HA2 ))
   (( segid "    " and resid 67   and name HN  ))
      3.500     1.500     1.500 peak   649 spectrum    1 weight  0.10000E+01 volume  0.14218E-02 ppm1      3.784 ppm2      7.674 CV     1
 ASSI {  652}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 106  and name HB2 ))
      3.200     1.300     1.300 peak   652 spectrum    1 weight  0.10000E+01 volume  0.14141E-02 ppm1      5.074 ppm2      2.404 CV     1
 ASSI {  654}
   (( segid "    " and resid 27   and name HD1 ))
   (  segid "    " and resid 26   and name HD1%)
      3.200     1.300     1.300 peak   654 spectrum    1 weight  0.10000E+01 volume  0.14115E-02 ppm1      4.021 ppm2     -0.655 CV     1
 ASSI {  657}
   (  segid "    " and resid 82   and name HG2%)
   (( segid "    " and resid 108  and name HN  ))
      3.400     1.400     1.400 peak   657 spectrum    1 weight  0.10000E+01 volume  0.14039E-02 ppm1      0.959 ppm2      9.148 CV     1
 ASSI {  658}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 27   and name HG1 ))
      3.700     1.700     1.700 peak   658 spectrum    1 weight  0.10000E+01 volume  0.14039E-02 ppm1      1.092 ppm2      2.146 CV     1
 ASSI {  660}
   (  segid "    " and resid 94   and name HG2%)
   (( segid "    " and resid 94   and name HN  ))
      3.200     1.300     1.300 peak   660 spectrum    1 weight  0.10000E+01 volume  0.13937E-02 ppm1      0.826 ppm2      6.739 CV     1
 ASSI {  661}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HD21))
      2.700     0.900     0.900 peak   661 spectrum    1 weight  0.10000E+01 volume  0.13937E-02 ppm1      2.738 ppm2      7.747 CV     1
 ASSI {  666}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      2.900     1.000     1.000 peak   666 spectrum    1 weight  0.10000E+01 volume  0.13783E-02 ppm1      4.921 ppm2      9.599 CV     1
 ASSI {  668}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 90   and name HN  ))
      2.800     1.000     1.000 peak   668 spectrum    1 weight  0.10000E+01 volume  0.13732E-02 ppm1      7.856 ppm2      8.966 CV     1
 ASSI {  669}
   (( segid "    " and resid 108  and name HB2 ))
   (( segid "    " and resid 110  and name HD22))
      3.700     1.700     1.700 peak   669 spectrum    1 weight  0.10000E+01 volume  0.13732E-02 ppm1      1.299 ppm2      6.653 CV     1
 ASSI {  670}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 93   and name HD1 ))
      3.300     1.400     1.400 peak   670 spectrum    1 weight  0.10000E+01 volume  0.13732E-02 ppm1      6.879 ppm2      7.113 CV     1
 ASSI {  671}
   (( segid "    " and resid 16   and name HB  ))
   (( segid "    " and resid 108  and name HN  ))
      3.700     1.700     1.700 peak   671 spectrum    1 weight  0.10000E+01 volume  0.13604E-02 ppm1      2.041 ppm2      9.167 CV     1
 ASSI {  672}
   (  segid "    " and resid 88   and name HG2%)
   (( segid "    " and resid 89   and name HN  ))
      3.200     1.200     1.200 peak   672 spectrum    1 weight  0.10000E+01 volume  0.13579E-02 ppm1      1.093 ppm2      8.540 CV     1
 ASSI {  676}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 7    and name HN  ))
      3.000     1.100     1.100 peak   676 spectrum    1 weight  0.10000E+01 volume  0.13527E-02 ppm1      1.859 ppm2      8.865 CV     1
 ASSI {  677}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 15   and name HN  ))
      3.000     1.100     1.100 peak   677 spectrum    1 weight  0.10000E+01 volume  0.13527E-02 ppm1      4.056 ppm2      8.472 CV     1
 ASSI {  678}
   (( segid "    " and resid 9   and name HB2 ))
   (( segid "    " and resid 6    and name HN  ))
      2.700     0.900     0.900 peak   678 spectrum    1 weight  0.10000E+01 volume  0.13477E-02 ppm1      3.287 ppm2     10.246 CV     1
 ASSI {  680}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      2.800     1.000     1.000 peak   680 spectrum    1 weight  0.10000E+01 volume  0.13400E-02 ppm1      5.159 ppm2      8.866 CV     1
 ASSI {  684}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      3.000     1.200     1.200 peak   684 spectrum    1 weight  0.11000E+01 volume  0.13221E-02 ppm1      4.121 ppm2      7.987 CV     1
 ASSI {  689}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 25   and name HE21))
      2.400     2.400     3.600 peak   689 spectrum    1 weight  0.10000E+01 volume  0.13144E-02 ppm1      1.181 ppm2      7.240 CV     1
 ASSI {  694}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      2.900     1.000     1.000 peak   694 spectrum    1 weight  0.10000E+01 volume  0.13093E-02 ppm1      5.358 ppm2      9.598 CV     1
 ASSI {  696}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 59   and name HD1 ))
      3.700     1.700     1.700 peak   696 spectrum    1 weight  0.10000E+01 volume  0.13016E-02 ppm1      1.938 ppm2      3.670 CV     1
 ASSI {  698}
   (( segid "    " and resid 109  and name HA  ))
   (  segid "    " and resid 18   and name HG1%)
      3.100     1.200     1.200 peak   698 spectrum    1 weight  0.10000E+01 volume  0.12965E-02 ppm1      5.509 ppm2      0.745 CV     1
 ASSI {  700}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 9   and name HN  ))
      3.000     1.100     1.100 peak   700 spectrum    1 weight  0.10000E+01 volume  0.12940E-02 ppm1      7.887 ppm2      8.171 CV     1
 ASSI {  702}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HN  ))
      2.900     1.000     1.000 peak   702 spectrum    1 weight  0.10000E+01 volume  0.12940E-02 ppm1      4.908 ppm2      8.116 CV     1
 ASSI {  704}
   (  segid "    " and resid 26   and name HD2%)
   (  segid "    " and resid 103  and name HD% )
      3.000     1.100     1.100 peak   704 spectrum    1 weight  0.11000E+01 volume  0.12914E-02 ppm1     -1.281 ppm2      6.690 CV     1
 ASSI {  706}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      3.600     3.600     2.400 peak   706 spectrum    1 weight  0.10000E+01 volume  0.12888E-02 ppm1      4.149 ppm2      7.917 CV     1
 ASSI {  708}
   (( segid "    " and resid 90   and name HG2 ))
   (( segid "    " and resid 90   and name HN  ))
      3.600     1.600     1.600 peak   708 spectrum    1 weight  0.10000E+01 volume  0.12811E-02 ppm1      1.752 ppm2      8.972 CV     1
 ASSI {  709}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      2.700     0.900     0.900 peak   709 spectrum    1 weight  0.10000E+01 volume  0.12786E-02 ppm1      5.159 ppm2     10.247 CV     1
 ASSI {  710}
   (  segid "    " and resid 13   and name HG2%)
   (  segid "    " and resid 106  and name HD% )
      3.400     1.500     1.500 peak   710 spectrum    1 weight  0.10000E+01 volume  0.12786E-02 ppm1      0.968 ppm2      6.675 CV     1
 ASSI {  711}
   (( segid "    " and resid 39   and name HG1 ))
   (  segid "    " and resid 38   and name HD% )
      3.400     1.500     1.500 peak   711 spectrum    1 weight  0.10000E+01 volume  0.12786E-02 ppm1      2.333 ppm2      7.503 CV     1
 ASSI {  716}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HD22))
      3.600     1.600     1.600 peak   716 spectrum    1 weight  0.10000E+01 volume  0.12709E-02 ppm1      2.145 ppm2      5.752 CV     1
 ASSI {  717}
   (( segid "    " and resid 94   and name HB  ))
   (( segid "    " and resid 94   and name HN  ))
      3.400     1.400     1.400 peak   717 spectrum    1 weight  0.10000E+01 volume  0.12684E-02 ppm1      3.986 ppm2      6.741 CV     1
 ASSI {  718}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      3.100     1.200     1.200 peak   718 spectrum    1 weight  0.10000E+01 volume  0.12684E-02 ppm1      4.072 ppm2      9.016 CV     1
 ASSI {  722}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 37   and name HN  ))
      3.400     1.500     1.500 peak   722 spectrum    1 weight  0.10000E+01 volume  0.12658E-02 ppm1      3.430 ppm2      9.100 CV     1
 ASSI {  725}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HN  ))
      3.500     1.500     1.500 peak   725 spectrum    1 weight  0.10000E+01 volume  0.12607E-02 ppm1      3.211 ppm2      8.210 CV     1
 ASSI {  726}
   (( segid "    " and resid 78   and name HD1 ))
   (( segid "    " and resid 50   and name HG1 ))
      3.000     1.100     1.100 peak   726 spectrum    1 weight  0.10000E+01 volume  0.12607E-02 ppm1      1.567 ppm2      2.757 CV     1
 ASSI {  729}
   (( segid "    " and resid 60   and name HD1 ))
   (( segid "    " and resid 60   and name HB1 ))
      3.500     1.600     1.600 peak   729 spectrum    1 weight  0.10000E+01 volume  0.12531E-02 ppm1      3.508 ppm2      2.222 CV     1
 ASSI {  732}
   (( segid "    " and resid 103  and name HB2 ))
   (( segid "    " and resid 103  and name HN  ))
      3.400     1.500     1.500 peak   732 spectrum    1 weight  0.10000E+01 volume  0.12479E-02 ppm1      2.256 ppm2      9.219 CV     1
 ASSI {  733}
   (  segid "    " and resid 16   and name HG1%)
   (( segid "    " and resid 17   and name HN  ))
      3.800     1.800     1.800 peak   733 spectrum    1 weight  0.10000E+01 volume  0.12479E-02 ppm1      0.509 ppm2      8.381 CV     1
 ASSI {  736}
   (( segid "    " and resid 106  and name HB2 ))
   (( segid "    " and resid 106  and name HN  ))
      2.700     0.900     0.900 peak   736 spectrum    1 weight  0.10000E+01 volume  0.12453E-02 ppm1      2.395 ppm2      8.654 CV     1
 ASSI {  740}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 90   and name HN  ))
      3.700     1.700     1.700 peak   740 spectrum    1 weight  0.10000E+01 volume  0.12402E-02 ppm1      5.006 ppm2      8.968 CV     1
 ASSI {  741}
   (( segid "    " and resid 81   and name HA1 ))
   (( segid "    " and resid 82   and name HN  ))
      3.200     1.300     1.300 peak   741 spectrum    1 weight  0.10000E+01 volume  0.12402E-02 ppm1      4.238 ppm2      8.117 CV     1
 ASSI {  743}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 29   and name HB2 ))
      3.700     3.700     2.300 peak   743 spectrum    1 weight  0.10000E+01 volume  0.12377E-02 ppm1      1.442 ppm2      2.752 CV     1
 ASSI {  744}
   (  segid "    " and resid 58   and name HD% )
   (( segid "    " and resid 57   and name HN  ))
      3.300     1.400     1.400 peak   744 spectrum    1 weight  0.10000E+01 volume  0.12326E-02 ppm1      6.839 ppm2      8.424 CV     1
 ASSI {  746}
   (( segid "    " and resid 92   and name HA  ))
   (  segid "    " and resid 37   and name HD% )
      3.400     1.500     1.500 peak   746 spectrum    1 weight  0.10000E+01 volume  0.12274E-02 ppm1      3.585 ppm2      6.834 CV     1
 ASSI {  747}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 3    and name HN  ))
      3.400     1.500     1.500 peak   747 spectrum    1 weight  0.10000E+01 volume  0.12274E-02 ppm1      2.882 ppm2      8.595 CV     1
 ASSI {  749}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 103  and name HD% )
      2.800     1.000     1.000 peak   749 spectrum    1 weight  0.10000E+01 volume  0.12249E-02 ppm1      3.989 ppm2      6.689 CV     1
 ASSI {  750}
   (( segid "    " and resid 43   and name HB1 ))
   (  segid "    " and resid 38   and name HD% )
      3.000     1.100     1.100 peak   750 spectrum    1 weight  0.10000E+01 volume  0.12249E-02 ppm1      2.153 ppm2      7.504 CV     1
 ASSI {  751}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 7    and name HG1 ))
      3.900     1.900     1.900 peak   751 spectrum    1 weight  0.10000E+01 volume  0.12223E-02 ppm1     -0.655 ppm2      1.484 CV     1
 ASSI {  754}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 38   and name HD% )
      2.800     1.000     1.000 peak   754 spectrum    1 weight  0.10000E+01 volume  0.12198E-02 ppm1      1.865 ppm2      7.503 CV     1
 ASSI {  755}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 37   and name HE% )
      4.000     2.000     2.000 peak   755 spectrum    1 weight  0.10000E+01 volume  0.12198E-02 ppm1      4.118 ppm2      6.723 CV     1
 ASSI {  756}
   (  segid "    " and resid 18   and name HG1%)
   (( segid "    " and resid 79   and name HN  ))
      3.400     1.400     1.400 peak   756 spectrum    1 weight  0.10000E+01 volume  0.12198E-02 ppm1      0.748 ppm2      7.322 CV     1
 ASSI {  757}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 79   and name HN  ))
      3.500     1.500     1.500 peak   757 spectrum    1 weight  0.10000E+01 volume  0.12147E-02 ppm1      1.344 ppm2      7.320 CV     1
 ASSI {  758}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      3.200     1.200     1.200 peak   758 spectrum    1 weight  0.10000E+01 volume  0.12121E-02 ppm1      8.647 ppm2      8.914 CV     1
 ASSI {  760}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HN  ))
      3.000     1.200     1.200 peak   760 spectrum    1 weight  0.10000E+01 volume  0.12044E-02 ppm1      3.874 ppm2      8.342 CV     1
 ASSI {  762}
   (( segid "    " and resid 102  and name HG1 ))
   (( segid "    " and resid 103  and name HN  ))
      3.000     1.100     1.100 peak   762 spectrum    1 weight  0.10000E+01 volume  0.12019E-02 ppm1      1.695 ppm2      9.214 CV     1
 ASSI {  764}
   (( segid "    " and resid 21   and name HG  ))
   (( segid "    " and resid 21   and name HN  ))
      3.300     1.400     1.400 peak   764 spectrum    1 weight  0.10000E+01 volume  0.11942E-02 ppm1      1.320 ppm2      8.206 CV     1
 ASSI {  765}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 103  and name HD% )
      2.900     1.000     1.000 peak   765 spectrum    1 weight  0.11000E+01 volume  0.11916E-02 ppm1     -0.654 ppm2      6.687 CV     1
 ASSI {  766}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      3.000     1.100     1.100 peak   766 spectrum    1 weight  0.10000E+01 volume  0.11916E-02 ppm1      3.202 ppm2      8.413 CV     1
 ASSI {  767}
   (( segid "    " and resid 36   and name HZ3 ))
   (( segid "    " and resid 89   and name HN  ))
      3.200     1.300     1.300 peak   767 spectrum    1 weight  0.10000E+01 volume  0.11891E-02 ppm1      6.755 ppm2      8.539 CV     1
 ASSI {  770}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 90   and name HN  ))
      2.900     1.100     1.100 peak   770 spectrum    1 weight  0.10000E+01 volume  0.11865E-02 ppm1      4.652 ppm2      8.969 CV     1
 ASSI {  772}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 15   and name HN  ))
      3.500     1.500     1.500 peak   772 spectrum    1 weight  0.10000E+01 volume  0.11815E-02 ppm1      0.580 ppm2      8.474 CV     1
 ASSI {  773}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 27   and name HD2 ))
      3.600     1.600     1.600 peak   773 spectrum    1 weight  0.10000E+01 volume  0.11738E-02 ppm1      0.425 ppm2      3.368 CV     1
 ASSI {  774}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      2.800     1.000     1.000 peak   774 spectrum    1 weight  0.10000E+01 volume  0.11738E-02 ppm1      3.845 ppm2      7.547 CV     1
 ASSI {  775}
   (  segid "    " and resid 75   and name HG1%)
   (  segid "    " and resid 38   and name HE% )
      3.100     1.200     1.200 peak   775 spectrum    1 weight  0.10000E+01 volume  0.11686E-02 ppm1      0.916 ppm2      6.880 CV     1
 ASSI {  777}
   (( segid "    " and resid 63   and name HD1 ))
   (( segid "    " and resid 65   and name HN  ))
      3.600     1.700     1.700 peak   777 spectrum    1 weight  0.10000E+01 volume  0.11661E-02 ppm1      1.654 ppm2      8.116 CV     1
 ASSI {  778}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 6    and name HN  ))
      3.000     1.100     1.100 peak   778 spectrum    1 weight  0.10000E+01 volume  0.11636E-02 ppm1      0.518 ppm2     10.268 CV     1
 ASSI {  780}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 26   and name HN  ))
      3.600     1.600     1.600 peak   780 spectrum    1 weight  0.10000E+01 volume  0.11610E-02 ppm1      0.957 ppm2      8.556 CV     1
 ASSI {  781}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HN  ))
      2.700     0.900     0.900 peak   781 spectrum    1 weight  0.10000E+01 volume  0.11533E-02 ppm1      2.640 ppm2      8.913 CV     1
 ASSI {  783}
   (  segid "    " and resid 87   and name HD1%)
   (  segid "    " and resid 38   and name HE% )
      3.700     1.700     1.700 peak   783 spectrum    1 weight  0.11000E+01 volume  0.11481E-02 ppm1     -0.465 ppm2      6.881 CV     1
 ASSI {  784}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 25   and name HN  ))
      2.900     1.000     1.000 peak   784 spectrum    1 weight  0.11000E+01 volume  0.11457E-02 ppm1      0.127 ppm2      8.418 CV     1
 ASSI {  786}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 7    and name HN  ))
      3.500     1.600     1.600 peak   786 spectrum    1 weight  0.10000E+01 volume  0.11431E-02 ppm1      1.101 ppm2      8.865 CV     1
 ASSI {  788}
   (  segid "    " and resid 103  and name HD% )
   (( segid "    " and resid 105  and name HN  ))
      3.100     1.200     1.200 peak   788 spectrum    1 weight  0.10000E+01 volume  0.11431E-02 ppm1      6.680 ppm2      7.853 CV     1
 ASSI {  789}
   (( segid "    " and resid 91   and name HD1 ))
   (( segid "    " and resid 91   and name HE  ))
      3.000     1.100     1.100 peak   789 spectrum    1 weight  0.11000E+01 volume  0.11405E-02 ppm1      2.601 ppm2      6.431 CV     1
 ASSI {  792}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 42   and name HN  ))
      3.300     1.400     1.400 peak   792 spectrum    1 weight  0.10000E+01 volume  0.11328E-02 ppm1      3.432 ppm2      7.287 CV     1
 ASSI {  794}
   (  segid "    " and resid 105  and name HG1%)
   (  segid "    " and resid 103  and name HE% )
      3.000     1.100     1.100 peak   794 spectrum    1 weight  0.10000E+01 volume  0.11302E-02 ppm1      0.782 ppm2      6.914 CV     1
 ASSI {  798}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 63   and name HN  ))
      3.000     1.100     1.100 peak   798 spectrum    1 weight  0.10000E+01 volume  0.11226E-02 ppm1      1.903 ppm2      8.491 CV     1
 ASSI {  799}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 70   and name HN  ))
      3.600     1.700     1.700 peak   799 spectrum    1 weight  0.10000E+01 volume  0.11226E-02 ppm1      0.960 ppm2      8.420 CV     1
 ASSI {  803}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 39   and name HN  ))
      2.700     0.900     0.900 peak   803 spectrum    1 weight  0.10000E+01 volume  0.11201E-02 ppm1      3.472 ppm2      9.168 CV     1
 ASSI {  804}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 5    and name HG2%)
      3.700     1.800     1.800 peak   804 spectrum    1 weight  0.10000E+01 volume  0.11175E-02 ppm1      4.468 ppm2      0.539 CV     1
 ASSI {  807}
   (( segid "    " and resid 83   and name HB1 ))
   (( segid "    " and resid 83   and name HD2 ))
      3.400     1.400     1.400 peak   807 spectrum    1 weight  0.10000E+01 volume  0.11175E-02 ppm1      2.909 ppm2      6.738 CV     1
 ASSI {  810}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 28   and name HN  ))
      3.500     1.600     1.600 peak   810 spectrum    1 weight  0.10000E+01 volume  0.11098E-02 ppm1      2.404 ppm2      8.340 CV     1
 ASSI {  811}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      3.000     1.200     1.200 peak   811 spectrum    1 weight  0.10000E+01 volume  0.11098E-02 ppm1      4.281 ppm2      8.054 CV     1
 ASSI {  812}
   (( segid "    " and resid 90   and name HB1 ))
   (( segid "    " and resid 91   and name HN  ))
      2.800     1.000     1.000 peak   812 spectrum    1 weight  0.10000E+01 volume  0.11098E-02 ppm1      1.728 ppm2      7.636 CV     1
 ASSI {  815}
   (( segid "    " and resid 36   and name HB2 ))
   (  segid "    " and resid 87   and name HD2%)
      3.900     1.900     1.900 peak   815 spectrum    1 weight  0.10000E+01 volume  0.11073E-02 ppm1      2.646 ppm2     -0.810 CV     1
 ASSI {  818}
   (( segid "    " and resid 91   and name HG2 ))
   (( segid "    " and resid 91   and name HN  ))
      3.800     1.800     1.800 peak   818 spectrum    1 weight  0.10000E+01 volume  0.11022E-02 ppm1     -0.117 ppm2      7.634 CV     1
 ASSI {  819}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 89   and name HB2 ))
      2.800     1.000     1.000 peak   819 spectrum    1 weight  0.10000E+01 volume  0.11022E-02 ppm1      4.425 ppm2      0.044 CV     1
 ASSI {  822}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 84   and name HN  ))
      3.600     1.600     1.600 peak   822 spectrum    1 weight  0.10000E+01 volume  0.10945E-02 ppm1      2.808 ppm2      9.064 CV     1
 ASSI {  826}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 18   and name HG1%)
      3.900     1.900     1.900 peak   826 spectrum    1 weight  0.10000E+01 volume  0.10894E-02 ppm1      5.086 ppm2      0.750 CV     1
 ASSI {  827}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 93   and name HN  ))
      3.200     1.200     1.200 peak   827 spectrum    1 weight  0.10000E+01 volume  0.10894E-02 ppm1      4.550 ppm2      6.884 CV     1
 ASSI {  828}
   (( segid "    " and resid 99  and name HA  ))
   (( segid "    " and resid 99  and name HN  ))
      3.200     1.300     1.300 peak   828 spectrum    1 weight  0.10000E+01 volume  0.10894E-02 ppm1      4.593 ppm2      8.121 CV     1
 ASSI {  829}
   (( segid "    " and resid 2    and name HB1 ))
   (( segid "    " and resid 2    and name HN  ))
      3.400     1.500     1.500 peak   829 spectrum    1 weight  0.10000E+01 volume  0.10894E-02 ppm1      3.745 ppm2      8.332 CV     1
 ASSI {  830}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 70   and name HG2%)
      3.200     1.300     1.300 peak   830 spectrum    1 weight  0.10000E+01 volume  0.10894E-02 ppm1      4.833 ppm2      0.968 CV     1
 ASSI {  831}
   (( segid "    " and resid 105  and name HA  ))
   (  segid "    " and resid 105  and name HG2%)
      2.900     1.000     1.000 peak   831 spectrum    1 weight  0.10000E+01 volume  0.10894E-02 ppm1      4.302 ppm2      0.669 CV     1
 ASSI {  833}
   (( segid "    " and resid 29   and name HD22))
   (( segid "    " and resid 36   and name HE1 ))
      3.100     1.200     1.200 peak   833 spectrum    1 weight  0.10000E+01 volume  0.10868E-02 ppm1      6.944 ppm2     10.271 CV     1
 ASSI {  834}
   (( segid "    " and resid 34   and name HA  ))
   (  segid "    " and resid 34   and name HD% )
      2.800     1.000     1.000 peak   834 spectrum    1 weight  0.11000E+01 volume  0.10843E-02 ppm1      3.849 ppm2      6.502 CV     1
 ASSI {  835}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 16   and name HG1%)
      3.100     1.200     1.200 peak   835 spectrum    1 weight  0.10000E+01 volume  0.10817E-02 ppm1      4.605 ppm2      0.511 CV     1
 ASSI {  837}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 97   and name HN  ))
      3.100     1.200     1.200 peak   837 spectrum    1 weight  0.10000E+01 volume  0.10817E-02 ppm1      4.751 ppm2      8.805 CV     1
 ASSI {  839}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      3.000     1.100     1.100 peak   839 spectrum    1 weight  0.10000E+01 volume  0.10791E-02 ppm1      5.325 ppm2      8.261 CV     1
 ASSI {  840}
   (( segid "    " and resid 83   and name HB1 ))
   (( segid "    " and resid 84   and name HN  ))
      3.600     1.600     1.600 peak   840 spectrum    1 weight  0.10000E+01 volume  0.10740E-02 ppm1      2.914 ppm2      9.063 CV     1
 ASSI {  841}
   (  segid "    " and resid 85   and name HG2%)
   (( segid "    " and resid 38   and name HZ  ))
      3.500     1.500     1.500 peak   841 spectrum    1 weight  0.10000E+01 volume  0.10740E-02 ppm1      0.263 ppm2      7.313 CV     1
 ASSI {  843}
   (  segid "    " and resid 21   and name HD1%)
   (  segid "    " and resid 51   and name HD% )
      3.700     1.700     1.700 peak   843 spectrum    1 weight  0.10000E+01 volume  0.10715E-02 ppm1      0.672 ppm2      6.639 CV     1
 ASSI {  846}
   (( segid "    " and resid 36   and name HD1 ))
   (( segid "    " and resid 36   and name HN  ))
      2.800     1.000     1.000 peak   846 spectrum    1 weight  0.10000E+01 volume  0.10664E-02 ppm1      7.403 ppm2      8.914 CV     1
 ASSI {  848}
   (( segid "    " and resid 64   and name HA  ))
   (  segid "    " and resid 64   and name HD1%)
      3.400     1.400     1.400 peak   848 spectrum    1 weight  0.10000E+01 volume  0.10638E-02 ppm1      4.346 ppm2      0.897 CV     1
 ASSI {  851}
   (  segid "    " and resid 104  and name HG2%)
   (  segid "    " and resid 106  and name HD% )
      3.400     1.400     1.400 peak   851 spectrum    1 weight  0.10000E+01 volume  0.10561E-02 ppm1      0.432 ppm2      6.691 CV     1
 ASSI {  852}
   (( segid "    " and resid 107  and name HA  ))
   (  segid "    " and resid 16   and name HG1%)
      3.500     1.500     1.500 peak   852 spectrum    1 weight  0.10000E+01 volume  0.10536E-02 ppm1      4.971 ppm2      0.509 CV     1
 ASSI {  854}
   (( segid "    " and resid 86   and name HB1 ))
   (( segid "    " and resid 86   and name HD21))
      3.100     1.200     1.200 peak   854 spectrum    1 weight  0.10000E+01 volume  0.10536E-02 ppm1      2.705 ppm2      7.562 CV     1
 ASSI {  855}
   (  segid "    " and resid 87   and name HD2%)
   (( segid "    " and resid 87   and name HB1 ))
      2.900     1.000     1.000 peak   855 spectrum    1 weight  0.10000E+01 volume  0.10510E-02 ppm1     -0.808 ppm2      1.483 CV     1
 ASSI {  856}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99  and name HN  ))
      3.100     1.200     1.200 peak   856 spectrum    1 weight  0.10000E+01 volume  0.10459E-02 ppm1      7.542 ppm2      8.119 CV     1
 ASSI {  859}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      3.000     1.200     1.200 peak   859 spectrum    1 weight  0.10000E+01 volume  0.10459E-02 ppm1      4.945 ppm2      9.245 CV     1
 ASSI {  860}
   (  segid "    " and resid 24   and name HG2%)
   (  segid "    " and resid 5    and name HG1%)
      3.000     1.100     1.100 peak   860 spectrum    1 weight  0.10000E+01 volume  0.10408E-02 ppm1      0.125 ppm2      0.842 CV     1
 ASSI {  865}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HD21))
      3.100     1.200     1.200 peak   865 spectrum    1 weight  0.10000E+01 volume  0.10254E-02 ppm1      3.207 ppm2      7.748 CV     1
 ASSI {  867}
   (( segid "    " and resid 29   and name HD21))
   (( segid "    " and resid 36   and name HE1 ))
      3.000     3.000     3.000 peak   867 spectrum    1 weight  0.10000E+01 volume  0.10229E-02 ppm1      7.735 ppm2     10.246 CV     1
 ASSI {  873}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      3.100     1.200     1.200 peak   873 spectrum    1 weight  0.11000E+01 volume  0.10050E-02 ppm1      4.445 ppm2      7.562 CV     1
 ASSI {  877}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 36   and name HD1 ))
      3.700     1.700     1.700 peak   877 spectrum    1 weight  0.10000E+01 volume  0.99984E-03 ppm1      3.112 ppm2      7.401 CV     1
 ASSI {  879}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 62   and name HN  ))
      3.200     1.300     1.300 peak   879 spectrum    1 weight  0.10000E+01 volume  0.99735E-03 ppm1      3.939 ppm2      8.054 CV     1
 ASSI {  881}
   (( segid "    " and resid 89   and name HB1 ))
   (( segid "    " and resid 101  and name HN  ))
      2.800     1.000     1.000 peak   881 spectrum    1 weight  0.10000E+01 volume  0.99218E-03 ppm1      2.276 ppm2      8.669 CV     1
 ASSI {  882}
   (( segid "    " and resid 85   and name HA  ))
   (  segid "    " and resid 38   and name HE% )
      3.200     1.300     1.300 peak   882 spectrum    1 weight  0.10000E+01 volume  0.98960E-03 ppm1      3.988 ppm2      6.911 CV     1
 ASSI {  884}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      3.000     1.100     1.100 peak   884 spectrum    1 weight  0.10000E+01 volume  0.98710E-03 ppm1      5.571 ppm2      8.221 CV     1
 ASSI {  887}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 83   and name HD2 ))
      3.200     1.300     1.300 peak   887 spectrum    1 weight  0.10000E+01 volume  0.97944E-03 ppm1      0.633 ppm2      6.769 CV     1
 ASSI {  890}
   (( segid "    " and resid 87   and name HG  ))
   (( segid "    " and resid 103  and name HN  ))
      3.600     1.600     1.600 peak   890 spectrum    1 weight  0.10000E+01 volume  0.97686E-03 ppm1      0.658 ppm2      9.235 CV     1
 ASSI {  893}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HD22))
      3.800     1.800     1.800 peak   893 spectrum    1 weight  0.10000E+01 volume  0.97428E-03 ppm1      2.249 ppm2      5.747 CV     1
 ASSI {  895}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      3.600     1.600     1.600 peak   895 spectrum    1 weight  0.10000E+01 volume  0.97170E-03 ppm1      4.074 ppm2      7.417 CV     1
 ASSI {  900}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 3    and name HD2 ))
      3.700     1.700     1.700 peak   900 spectrum    1 weight  0.10000E+01 volume  0.95896E-03 ppm1      2.883 ppm2      6.988 CV     1
 ASSI {  901}
   (( segid "    " and resid 3    and name HB1 ))
   (( segid "    " and resid 3    and name HD2 ))
      2.800     1.000     1.000 peak   901 spectrum    1 weight  0.10000E+01 volume  0.95896E-03 ppm1      3.042 ppm2      6.989 CV     1
 ASSI {  903}
   (  segid "    " and resid 22   and name HG1%)
   (( segid "    " and resid 23   and name HN  ))
      3.300     1.400     1.400 peak   903 spectrum    1 weight  0.10000E+01 volume  0.95637E-03 ppm1      0.822 ppm2      8.718 CV     1
 ASSI {  905}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      3.100     1.200     1.200 peak   905 spectrum    1 weight  0.11000E+01 volume  0.95637E-03 ppm1      8.613 ppm2      9.597 CV     1
 ASSI {  907}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      3.100     1.200     1.200 peak   907 spectrum    1 weight  0.10000E+01 volume  0.95388E-03 ppm1      5.078 ppm2      7.419 CV     1
 ASSI {  908}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      3.500     1.500     1.500 peak   908 spectrum    1 weight  0.11000E+01 volume  0.95130E-03 ppm1      4.452 ppm2      7.419 CV     1
 ASSI {  913}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HN  ))
      3.100     1.200     1.200 peak   913 spectrum    1 weight  0.10000E+01 volume  0.94105E-03 ppm1      2.059 ppm2      7.859 CV     1
 ASSI {  916}
   (( segid "    " and resid 40   and name HA1 ))
   (( segid "    " and resid 40   and name HN  ))
      3.200     1.300     1.300 peak   916 spectrum    1 weight  0.10000E+01 volume  0.93339E-03 ppm1      4.264 ppm2      8.915 CV     1
 ASSI {  917}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 35   and name HN  ))
      3.100     1.200     1.200 peak   917 spectrum    1 weight  0.10000E+01 volume  0.92823E-03 ppm1      2.331 ppm2      7.859 CV     1
 ASSI {  919}
   (( segid "    " and resid 56   and name HG1 ))
   (( segid "    " and resid 56   and name HN  ))
      3.300     1.400     1.400 peak   919 spectrum    1 weight  0.10000E+01 volume  0.92573E-03 ppm1      0.968 ppm2      8.338 CV     1
 ASSI {  925}
   (( segid "    " and resid 53   and name HB  ))
   (( segid "    " and resid 45   and name HN  ))
      3.500     1.500     1.500 peak   925 spectrum    1 weight  0.10000E+01 volume  0.91549E-03 ppm1      2.174 ppm2      8.272 CV     1
 ASSI {  926}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 5    and name HN  ))
      4.000     2.000     2.000 peak   926 spectrum    1 weight  0.10000E+01 volume  0.91549E-03 ppm1      1.621 ppm2      8.944 CV     1
 ASSI {  931}
   (  segid "    " and resid 16   and name HG2%)
   (( segid "    " and resid 17   and name HN  ))
      3.600     1.700     1.700 peak   931 spectrum    1 weight  0.10000E+01 volume  0.90783E-03 ppm1      0.271 ppm2      8.382 CV     1
 ASSI {  933}
   (( segid "    " and resid 70   and name HB  ))
   (( segid "    " and resid 71   and name HN  ))
      3.600     1.600     1.600 peak   933 spectrum    1 weight  0.10000E+01 volume  0.90266E-03 ppm1      3.783 ppm2      9.588 CV     1
 ASSI {  934}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      3.200     1.300     1.300 peak   934 spectrum    1 weight  0.11000E+01 volume  0.90266E-03 ppm1      9.383 ppm2      9.790 CV     1
 ASSI {  935}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      3.100     1.200     1.200 peak   935 spectrum    1 weight  0.10000E+01 volume  0.90266E-03 ppm1      8.335 ppm2      9.303 CV     1
 ASSI {  937}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 106  and name HE% )
      3.800     1.800     1.800 peak   937 spectrum    1 weight  0.10000E+01 volume  0.90017E-03 ppm1      4.504 ppm2      6.574 CV     1
 ASSI {  939}
   (( segid "    " and resid 48   and name HG1 ))
   (( segid "    " and resid 48   and name HN  ))
      3.600     1.600     1.600 peak   939 spectrum    1 weight  0.10000E+01 volume  0.89500E-03 ppm1      2.218 ppm2      9.017 CV     1
 ASSI {  940}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HD22))
      4.000     2.000     2.000 peak   940 spectrum    1 weight  0.10000E+01 volume  0.89251E-03 ppm1      5.560 ppm2      5.750 CV     1
 ASSI {  941}
   (( segid "    " and resid 48   and name HB1 ))
   (( segid "    " and resid 49   and name HN  ))
      3.600     1.600     1.600 peak   941 spectrum    1 weight  0.10000E+01 volume  0.89251E-03 ppm1      1.947 ppm2      7.986 CV     1
 ASSI {  942}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      3.100     1.200     1.200 peak   942 spectrum    1 weight  0.10000E+01 volume  0.89251E-03 ppm1      8.119 ppm2      8.660 CV     1
 ASSI {  944}
   (  segid "    " and resid 104  and name HG2%)
   (( segid "    " and resid 86   and name HD21))
      3.400     1.400     1.400 peak   944 spectrum    1 weight  0.10000E+01 volume  0.88476E-03 ppm1      0.432 ppm2      7.561 CV     1
 ASSI {  948}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      3.500     1.500     1.500 peak   948 spectrum    1 weight  0.10000E+01 volume  0.87968E-03 ppm1      4.757 ppm2      1.783 CV     1
 ASSI {  950}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 16   and name HG2%)
      3.900     1.900     1.900 peak   950 spectrum    1 weight  0.10000E+01 volume  0.87202E-03 ppm1      4.967 ppm2      0.269 CV     1
 ASSI {  951}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      3.400     3.400     2.600 peak   951 spectrum    1 weight  0.10000E+01 volume  0.86944E-03 ppm1      4.826 ppm2      8.273 CV     1
 ASSI {  952}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      2.800     1.000     1.000 peak   952 spectrum    1 weight  0.10000E+01 volume  0.86944E-03 ppm1      4.427 ppm2      8.969 CV     1
 ASSI {  956}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HG1 ))
      3.600     1.600     1.600 peak   956 spectrum    1 weight  0.10000E+01 volume  0.84900E-03 ppm1      4.073 ppm2      2.225 CV     1
 ASSI {  957}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 98   and name HB2 ))
      3.400     1.500     1.500 peak   957 spectrum    1 weight  0.10000E+01 volume  0.84900E-03 ppm1      4.404 ppm2      3.196 CV     1
 ASSI {  962}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      3.700     1.700     1.700 peak   962 spectrum    1 weight  0.10000E+01 volume  0.84643E-03 ppm1      2.739 ppm2      8.213 CV     1
 ASSI {  965}
   (( segid "    " and resid 39   and name HG1 ))
   (( segid "    " and resid 40   and name HN  ))
      3.800     1.800     1.800 peak   965 spectrum    1 weight  0.10000E+01 volume  0.84387E-03 ppm1      2.339 ppm2      8.913 CV     1
 ASSI {  966}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 73   and name HD% )
      3.000     1.100     1.100 peak   966 spectrum    1 weight  0.10000E+01 volume  0.84387E-03 ppm1      5.683 ppm2      6.881 CV     1
 ASSI {  969}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      3.000     1.100     1.100 peak   969 spectrum    1 weight  0.10000E+01 volume  0.83876E-03 ppm1      4.912 ppm2      8.412 CV     1
 ASSI {  970}
   (( segid "    " and resid 110  and name HB1 ))
   (( segid "    " and resid 110  and name HN  ))
      3.500     1.500     1.500 peak   970 spectrum    1 weight  0.10000E+01 volume  0.83365E-03 ppm1      2.693 ppm2      8.125 CV     1
 ASSI {  973}
   (( segid "    " and resid 39   and name HG1 ))
   (( segid "    " and resid 39   and name HN  ))
      3.300     1.400     1.400 peak   973 spectrum    1 weight  0.10000E+01 volume  0.82087E-03 ppm1      2.339 ppm2      9.168 CV     1
 ASSI {  976}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      3.400     1.400     1.400 peak   976 spectrum    1 weight  0.10000E+01 volume  0.81575E-03 ppm1      8.056 ppm2      8.386 CV     1
 ASSI {  979}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 52   and name HN  ))
      3.100     1.200     1.200 peak   979 spectrum    1 weight  0.10000E+01 volume  0.81319E-03 ppm1      2.888 ppm2      8.827 CV     1
 ASSI {  983}
   (( segid "    " and resid 91   and name HG2 ))
   (( segid "    " and resid 91   and name HE  ))
      3.100     1.200     1.200 peak   983 spectrum    1 weight  0.11000E+01 volume  0.81063E-03 ppm1     -0.110 ppm2      6.428 CV     1
 ASSI {  985}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 100  and name HN  ))
      3.300     1.400     1.400 peak   985 spectrum    1 weight  0.10000E+01 volume  0.80552E-03 ppm1      4.498 ppm2      7.541 CV     1
 ASSI {  986}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HN  ))
      3.200     1.300     1.300 peak   986 spectrum    1 weight  0.10000E+01 volume  0.80041E-03 ppm1      3.787 ppm2      8.053 CV     1
 ASSI {  988}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      2.700     0.900     0.900 peak   988 spectrum    1 weight  0.10000E+01 volume  0.79785E-03 ppm1      5.681 ppm2      8.547 CV     1
 ASSI {  989}
   (( segid "    " and resid 94   and name HA  ))
   (  segid "    " and resid 94   and name HG2%)
      3.800     1.800     1.800 peak   989 spectrum    1 weight  0.10000E+01 volume  0.79529E-03 ppm1      4.289 ppm2      0.837 CV     1
 ASSI {  995}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 9   and name HN  ))
      3.300     1.300     1.300 peak   995 spectrum    1 weight  0.10000E+01 volume  0.77995E-03 ppm1      4.090 ppm2      8.178 CV     1
 ASSI {  998}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 20   and name HN  ))
      3.900     1.900     1.900 peak   998 spectrum    1 weight  0.10000E+01 volume  0.77483E-03 ppm1      1.853 ppm2      7.818 CV     1
 ASSI { 1001}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 36   and name HE1 ))
      3.900     1.900     1.900 peak  1001 spectrum    1 weight  0.11000E+01 volume  0.77228E-03 ppm1      4.117 ppm2     10.270 CV     1
 ASSI { 1002}
   (( segid "    " and resid 33   and name HA1 ))
   (( segid "    " and resid 91   and name HG1 ))
      2.900     1.100     1.100 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.77228E-03 ppm1      4.333 ppm2      0.341 CV     1
 ASSI { 1003}
   (( segid "    " and resid 27   and name HD2 ))
   (( segid "    " and resid 29   and name HD22))
      2.800     1.000     1.000 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.77228E-03 ppm1      3.368 ppm2      6.939 CV     1
 ASSI { 1005}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      3.300     1.300     1.300 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.76972E-03 ppm1      4.089 ppm2      7.885 CV     1
 ASSI { 1008}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      3.200     1.300     1.300 peak  1008 spectrum    1 weight  0.11000E+01 volume  0.76716E-03 ppm1      4.075 ppm2      7.986 CV     1
 ASSI { 1009}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      3.400     1.400     1.400 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.76716E-03 ppm1      3.203 ppm2      7.860 CV     1
 ASSI { 1013}
   (( segid "    " and resid 9   and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      3.300     1.400     1.400 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.76461E-03 ppm1      4.457 ppm2      7.259 CV     1
 ASSI { 1014}
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 73   and name HN  ))
      3.200     1.300     1.300 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.76204E-03 ppm1      1.752 ppm2      9.603 CV     1
 ASSI { 1015}
   (( segid "    " and resid 55   and name HD22))
   (  segid "    " and resid 57   and name HE% )
      3.800     1.800     1.800 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.75949E-03 ppm1      5.751 ppm2      6.881 CV     1
 ASSI { 1016}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      3.100     1.200     1.200 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.75949E-03 ppm1      5.005 ppm2      8.914 CV     1
 ASSI { 1023}
   (( segid "    " and resid 96   and name HB1 ))
   (( segid "    " and resid 97   and name HN  ))
      3.800     1.800     1.800 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.74415E-03 ppm1      2.144 ppm2      8.808 CV     1
 ASSI { 1024}
   (( segid "    " and resid 30   and name HD1 ))
   (( segid "    " and resid 29   and name HN  ))
      3.100     1.200     1.200 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.73904E-03 ppm1      3.911 ppm2      8.177 CV     1
 ASSI { 1026}
   (( segid "    " and resid 36   and name HE3 ))
   (( segid "    " and resid 88   and name HN  ))
      3.500     1.500     1.500 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.73391E-03 ppm1      7.071 ppm2      9.393 CV     1
 ASSI { 1027}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 2    and name HB1 ))
      3.700     1.700     1.700 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.73136E-03 ppm1      4.815 ppm2      3.701 CV     1
 ASSI { 1028}
   (  segid "    " and resid 38   and name HD% )
   (( segid "    " and resid 39   and name HN  ))
      4.000     2.000     2.000 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.72369E-03 ppm1      7.497 ppm2      9.167 CV     1
 ASSI { 1029}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 7    and name HB1 ))
      4.400     2.400     1.600 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.72369E-03 ppm1     -0.655 ppm2      1.865 CV     1
 ASSI { 1030}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      3.000     1.100     1.100 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.72369E-03 ppm1      3.911 ppm2      8.866 CV     1
 ASSI { 1033}
   (  segid "    " and resid 50   and name HE% )
   (( segid "    " and resid 51   and name HN  ))
      3.700     1.700     1.700 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.72113E-03 ppm1      2.028 ppm2      7.402 CV     1
 ASSI { 1034}
   (( segid "    " and resid 41   and name HA2 ))
   (( segid "    " and resid 42   and name HN  ))
      3.500     1.500     1.500 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.71602E-03 ppm1      3.186 ppm2      7.308 CV     1
 ASSI { 1035}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HB  ))
      3.100     1.200     1.200 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.71602E-03 ppm1      5.140 ppm2      2.001 CV     1
 ASSI { 1036}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 62   and name HN  ))
      2.700     2.700     3.300 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.71602E-03 ppm1      2.631 ppm2      8.055 CV     1
 ASSI { 1037}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      3.400     1.400     1.400 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.71602E-03 ppm1      7.675 ppm2      8.339 CV     1
 ASSI { 1040}
   (( segid "    " and resid 97   and name HB2 ))
   (( segid "    " and resid 97   and name HN  ))
      3.500     1.500     1.500 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.70834E-03 ppm1      3.815 ppm2      8.818 CV     1
 ASSI { 1042}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 44   and name HN  ))
      3.800     1.800     1.800 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.70834E-03 ppm1      1.225 ppm2      7.955 CV     1
 ASSI { 1044}
   (( segid "    " and resid 89   and name HA  ))
   (  segid "    " and resid 37   and name HD% )
      3.700     1.700     1.700 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.70323E-03 ppm1      4.415 ppm2      6.834 CV     1
 ASSI { 1045}
   (  segid "    " and resid 87   and name HD1%)
   (( segid "    " and resid 36   and name HE3 ))
      3.800     1.800     1.800 peak  1045 spectrum    1 weight  0.11000E+01 volume  0.70067E-03 ppm1     -0.464 ppm2      7.068 CV     1
 ASSI { 1048}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 74   and name HD2 ))
      3.200     1.300     1.300 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.69556E-03 ppm1      3.029 ppm2      6.768 CV     1
 ASSI { 1051}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 103  and name HN  ))
      3.800     1.800     1.800 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.69045E-03 ppm1      5.163 ppm2      9.220 CV     1
 ASSI { 1055}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      3.100     1.200     1.200 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.68533E-03 ppm1      7.779 ppm2      8.116 CV     1
 ASSI { 1058}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 103  and name HE% )
      3.800     1.800     1.800 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.67766E-03 ppm1      2.935 ppm2      6.913 CV     1
 ASSI { 1060}
   (( segid "    " and resid 7    and name HD1 ))
   (( segid "    " and resid 27   and name HD2 ))
      2.800     1.000     1.000 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.67510E-03 ppm1      1.696 ppm2      3.365 CV     1
 ASSI { 1064}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 87   and name HB1 ))
      4.100     2.100     1.900 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.66743E-03 ppm1     -1.281 ppm2      1.490 CV     1
 ASSI { 1069}
   (  segid "    " and resid 16   and name HG2%)
   (( segid "    " and resid 3    and name HB2 ))
      3.800     1.800     1.800 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.66232E-03 ppm1      0.264 ppm2      2.900 CV     1
 ASSI { 1070}
   (( segid "    " and resid 86   and name HA  ))
   (  segid "    " and resid 104  and name HG2%)
      3.700     1.700     1.700 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.65720E-03 ppm1      5.396 ppm2      0.434 CV     1
 ASSI { 1073}
   (( segid "    " and resid 9   and name HB1 ))
   (( segid "    " and resid 105  and name HB  ))
      3.400     1.400     1.400 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.65465E-03 ppm1      3.432 ppm2      1.823 CV     1
 ASSI { 1078}
   (( segid "    " and resid 55   and name HD22))
   (( segid "    " and resid 56   and name HN  ))
      4.500     2.500     1.500 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.64697E-03 ppm1      5.746 ppm2      8.335 CV     1
 ASSI { 1079}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      3.200     1.300     1.300 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.64697E-03 ppm1      7.291 ppm2      8.960 CV     1
 ASSI { 1080}
   (  segid "    " and resid 5    and name HG1%)
   (  segid "    " and resid 103  and name HE% )
      3.300     1.300     1.300 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.64441E-03 ppm1      0.844 ppm2      6.914 CV     1
 ASSI { 1082}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 5    and name HB  ))
      3.700     1.700     1.700 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.63930E-03 ppm1      0.129 ppm2      1.874 CV     1
 ASSI { 1083}
   (( segid "    " and resid 101  and name HG1 ))
   (( segid "    " and resid 10   and name HD22))
      3.400     1.500     1.500 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.63674E-03 ppm1      2.328 ppm2      6.989 CV     1
 ASSI { 1089}
   (  segid "    " and resid 16   and name HG2%)
   (( segid "    " and resid 108  and name HN  ))
      3.400     1.500     1.500 peak  1089 spectrum    1 weight  0.10000E+01 volume  0.62652E-03 ppm1      0.262 ppm2      9.178 CV     1
 ASSI { 1090}
   (( segid "    " and resid 19   and name HA2 ))
   (( segid "    " and resid 20   and name HN  ))
      3.700     1.700     1.700 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.62395E-03 ppm1      3.563 ppm2      7.859 CV     1
 ASSI { 1091}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 36   and name HB2 ))
      3.900     1.900     1.900 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.62140E-03 ppm1     -1.279 ppm2      2.628 CV     1
 ASSI { 1092}
   (( segid "    " and resid 3    and name HB1 ))
   (( segid "    " and resid 23   and name HN  ))
      3.500     1.600     1.600 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.62140E-03 ppm1      3.043 ppm2      8.722 CV     1
 ASSI { 1093}
   (  segid "    " and resid 104  and name HG2%)
   (( segid "    " and resid 86   and name HD22))
      3.700     1.700     1.700 peak  1093 spectrum    1 weight  0.10000E+01 volume  0.61884E-03 ppm1      0.433 ppm2      6.630 CV     1
 ASSI { 1102}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 105  and name HG1%)
      3.600     1.600     1.600 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.60350E-03 ppm1      4.533 ppm2      0.752 CV     1
 ASSI { 1104}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      3.600     1.600     1.600 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.60095E-03 ppm1      3.906 ppm2      7.886 CV     1
 ASSI { 1105}
   (  segid "    " and resid 76   and name HG2%)
   (  segid "    " and resid 51   and name HE% )
      3.500     1.500     1.500 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.60095E-03 ppm1      0.921 ppm2      7.111 CV     1
 ASSI { 1107}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 93   and name HN  ))
      3.600     1.600     1.600 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.59839E-03 ppm1      3.575 ppm2      6.883 CV     1
 ASSI { 1112}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 89   and name HD% )
      4.100     2.100     1.900 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.59327E-03 ppm1      4.779 ppm2      5.575 CV     1
 ASSI { 1113}
   (( segid "    " and resid 78   and name HB1 ))
   (( segid "    " and resid 79   and name HN  ))
      4.300     2.300     1.700 peak  1113 spectrum    1 weight  0.10000E+01 volume  0.59327E-03 ppm1      1.854 ppm2      7.324 CV     1
 ASSI { 1114}
   (  segid "    " and resid 87   and name HD1%)
   (( segid "    " and resid 103  and name HB2 ))
      4.300     2.300     1.700 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.58816E-03 ppm1     -0.467 ppm2      2.257 CV     1
 ASSI { 1125}
   (  segid "    " and resid 53   and name HG1%)
   (( segid "    " and resid 52   and name HN  ))
      3.800     1.800     1.800 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.57282E-03 ppm1      1.349 ppm2      8.826 CV     1
 ASSI { 1127}
   (  segid "    " and resid 53   and name HG1%)
   (( segid "    " and resid 53   and name HN  ))
      3.600     3.600     2.400 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.57026E-03 ppm1      1.370 ppm2      8.889 CV     1
 ASSI { 1133}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 36   and name HZ2 ))
      4.300     2.300     1.700 peak  1133 spectrum    1 weight  0.11000E+01 volume  0.56258E-03 ppm1     -1.279 ppm2      6.941 CV     1
 ASSI { 1136}
   (  segid "    " and resid 16   and name HG2%)
   (( segid "    " and resid 3    and name HE1 ))
      4.300     2.300     1.700 peak  1136 spectrum    1 weight  0.11000E+01 volume  0.54469E-03 ppm1      0.272 ppm2      8.300 CV     1
 ASSI { 1137}
   (( segid "    " and resid 3    and name HD2 ))
   (( segid "    " and resid 3    and name HN  ))
      4.000     2.000     2.000 peak  1137 spectrum    1 weight  0.10000E+01 volume  0.54213E-03 ppm1      6.990 ppm2      8.602 CV     1
 ASSI { 1138}
   (( segid "    " and resid 86   and name HD21))
   (( segid "    " and resid 86   and name HN  ))
      3.100     1.200     1.200 peak  1138 spectrum    1 weight  0.10000E+01 volume  0.53957E-03 ppm1      7.541 ppm2      8.803 CV     1
 ASSI { 1139}
   (( segid "    " and resid 50   and name HG1 ))
   (( segid "    " and resid 50   and name HN  ))
      4.000     2.000     2.000 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.53957E-03 ppm1      2.759 ppm2      7.328 CV     1
 ASSI { 1140}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      3.500     1.600     1.600 peak  1140 spectrum    1 weight  0.10000E+01 volume  0.53701E-03 ppm1      5.559 ppm2      9.601 CV     1
 ASSI { 1143}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB1 ))
      3.600     1.600     1.600 peak  1143 spectrum    1 weight  0.10000E+01 volume  0.53445E-03 ppm1      4.932 ppm2      1.550 CV     1
 ASSI { 1146}
   (( segid "    " and resid 102  and name HA  ))
   (  segid "    " and resid 88   and name HG2%)
      4.100     2.100     1.900 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.52934E-03 ppm1      5.341 ppm2      1.091 CV     1
 ASSI { 1147}
   (( segid "    " and resid 55   and name HD22))
   (( segid "    " and resid 55   and name HN  ))
      3.900     1.900     1.900 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.52678E-03 ppm1      5.752 ppm2      9.062 CV     1
 ASSI { 1149}
   (( segid "    " and resid 104  and name HB  ))
   (( segid "    " and resid 86   and name HD22))
      4.600     2.600     1.400 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.52678E-03 ppm1      3.287 ppm2      6.638 CV     1
 ASSI { 1152}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 6    and name HN  ))
      3.900     1.900     1.900 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.52678E-03 ppm1      1.874 ppm2     10.253 CV     1
 ASSI { 1153}
   (  segid "    " and resid 5    and name HG1%)
   (( segid "    " and resid 5    and name HN  ))
      3.800     1.800     1.800 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.52423E-03 ppm1      0.845 ppm2      8.950 CV     1
 ASSI { 1154}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 7    and name HN  ))
      3.800     1.800     1.800 peak  1154 spectrum    1 weight  0.11000E+01 volume  0.52423E-03 ppm1     -0.653 ppm2      8.867 CV     1
 ASSI { 1156}
   (( segid "    " and resid 38   and name HZ  ))
   (( segid "    " and resid 86   and name HN  ))
      4.300     2.400     1.700 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.51912E-03 ppm1      7.267 ppm2      8.762 CV     1
 ASSI { 1159}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      4.200     2.200     1.800 peak  1159 spectrum    1 weight  0.11000E+01 volume  0.51656E-03 ppm1      7.558 ppm2      9.673 CV     1
 ASSI { 1161}
   (  segid "    " and resid 103  and name HE% )
   (( segid "    " and resid 9   and name HN  ))
      3.700     1.700     1.700 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.51399E-03 ppm1      6.914 ppm2      8.169 CV     1
 ASSI { 1162}
   (( segid "    " and resid 38   and name HB2 ))
   (  segid "    " and resid 87   and name HD2%)
      3.900     1.900     1.900 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.50888E-03 ppm1      3.120 ppm2     -0.809 CV     1
 ASSI { 1171}
   (( segid "    " and resid 21   and name HB1 ))
   (( segid "    " and resid 22   and name HN  ))
      4.300     2.300     1.700 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.49354E-03 ppm1      1.606 ppm2      9.380 CV     1
 ASSI { 1172}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 11   and name HN  ))
      3.600     1.600     1.600 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.49099E-03 ppm1      3.106 ppm2      9.670 CV     1
 ASSI { 1174}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 3    and name HB1 ))
      3.900     1.900     1.900 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.49099E-03 ppm1      1.662 ppm2      3.035 CV     1
 ASSI { 1176}
   (( segid "    " and resid 99  and name HA  ))
   (( segid "    " and resid 99  and name HB1 ))
      3.800     1.800     1.800 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.48843E-03 ppm1      4.589 ppm2      2.647 CV     1
 ASSI { 1177}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 21   and name HN  ))
      4.500     2.600     1.500 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.48586E-03 ppm1      2.321 ppm2      8.212 CV     1
 ASSI { 1178}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 3    and name HD2 ))
      4.000     2.000     2.000 peak  1178 spectrum    1 weight  0.10000E+01 volume  0.48075E-03 ppm1      0.668 ppm2      6.989 CV     1
 ASSI { 1179}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 36   and name HE1 ))
      4.300     2.300     1.700 peak  1179 spectrum    1 weight  0.11000E+01 volume  0.48075E-03 ppm1      3.878 ppm2     10.269 CV     1
 ASSI { 1181}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 47   and name HD21))
      3.300     3.300     2.700 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.47308E-03 ppm1      2.757 ppm2      7.629 CV     1
 ASSI { 1182}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 71   and name HN  ))
      4.100     2.100     1.900 peak  1182 spectrum    1 weight  0.10000E+01 volume  0.47308E-03 ppm1      4.116 ppm2      9.584 CV     1
 ASSI { 1183}
   (  segid "    " and resid 85   and name HG2%)
   (( segid "    " and resid 83   and name HE1 ))
      3.500     1.500     1.500 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.47053E-03 ppm1      0.262 ppm2      7.818 CV     1
 ASSI { 1184}
   (( segid "    " and resid 54   and name HG1 ))
   (( segid "    " and resid 54   and name HN  ))
      3.900     1.900     1.900 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.46797E-03 ppm1      2.262 ppm2      8.602 CV     1
 ASSI { 1186}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 37   and name HD% )
      4.300     2.300     1.700 peak  1186 spectrum    1 weight  0.10000E+01 volume  0.46541E-03 ppm1      4.114 ppm2      6.842 CV     1
 ASSI { 1188}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      3.400     1.400     1.400 peak  1188 spectrum    1 weight  0.10000E+01 volume  0.45774E-03 ppm1      5.134 ppm2      9.791 CV     1
 ASSI { 1190}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HN  ))
      4.200     2.200     1.800 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.45262E-03 ppm1      8.124 ppm2      9.071 CV     1
 ASSI { 1191}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 71   and name HN  ))
      4.000     2.000     2.000 peak  1191 spectrum    1 weight  0.10000E+01 volume  0.45007E-03 ppm1      4.832 ppm2      9.585 CV     1
 ASSI { 1192}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 10   and name HD22))
      4.100     2.100     1.900 peak  1192 spectrum    1 weight  0.10000E+01 volume  0.45007E-03 ppm1      4.680 ppm2      6.988 CV     1
 ASSI { 1195}
   (( segid "    " and resid 63   and name HG1 ))
   (( segid "    " and resid 64   and name HN  ))
      4.200     2.200     1.800 peak  1195 spectrum    1 weight  0.10000E+01 volume  0.44240E-03 ppm1      1.423 ppm2      7.772 CV     1
 ASSI { 1196}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 93   and name HD1 ))
      4.400     2.400     1.600 peak  1196 spectrum    1 weight  0.10000E+01 volume  0.43984E-03 ppm1      4.550 ppm2      7.094 CV     1
 ASSI { 1198}
   (  segid "    " and resid 105  and name HG1%)
   (( segid "    " and resid 12   and name HN  ))
      4.500     2.500     1.500 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.43728E-03 ppm1      0.781 ppm2      8.504 CV     1
 ASSI { 1199}
   (( segid "    " and resid 103  and name HB1 ))
   (( segid "    " and resid 36   and name HZ3 ))
      3.400     1.500     1.500 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.43728E-03 ppm1      2.588 ppm2      6.753 CV     1
 ASSI { 1203}
   (( segid "    " and resid 91   and name HB2 ))
   (  segid "    " and resid 34   and name HD% )
      3.300     1.400     1.400 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.43728E-03 ppm1      0.041 ppm2      6.469 CV     1
 ASSI { 1204}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 36   and name HH2 ))
      3.600     1.600     1.600 peak  1204 spectrum    1 weight  0.11000E+01 volume  0.43473E-03 ppm1      0.051 ppm2      6.752 CV     1
 ASSI { 1206}
   (  segid "    " and resid 22   and name HG1%)
   (( segid "    " and resid 75   and name HN  ))
      3.700     1.700     1.700 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.43473E-03 ppm1      0.817 ppm2      9.795 CV     1
 ASSI { 1207}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      3.600     1.700     1.700 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.43473E-03 ppm1      4.088 ppm2      7.257 CV     1
 ASSI { 1211}
   (  segid "    " and resid 105  and name HG1%)
   (( segid "    " and resid 9   and name HB2 ))
      4.500     2.600     1.500 peak  1211 spectrum    1 weight  0.10000E+01 volume  0.42705E-03 ppm1      0.779 ppm2      3.285 CV     1
 ASSI { 1216}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      3.700     1.700     1.700 peak  1216 spectrum    1 weight  0.10000E+01 volume  0.42449E-03 ppm1      4.424 ppm2      7.819 CV     1
 ASSI { 1218}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HN  ))
      4.000     2.000     2.000 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.41682E-03 ppm1      7.565 ppm2      9.218 CV     1
 ASSI { 1228}
   (( segid "    " and resid 91   and name HG2 ))
   (  segid "    " and resid 34   and name HD% )
      4.700     2.800     1.300 peak  1228 spectrum    1 weight  0.11000E+01 volume  0.39636E-03 ppm1     -0.113 ppm2      6.499 CV     1
 ASSI { 1230}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 93   and name HZ2 ))
      3.900     1.900     1.900 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.39636E-03 ppm1      6.882 ppm2      7.402 CV     1
 ASSI { 1231}
   (( segid "    " and resid 106  and name HA  ))
   (  segid "    " and resid 106  and name HE% )
      4.500     2.500     1.500 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.39636E-03 ppm1      5.071 ppm2      6.575 CV     1
 ASSI { 1236}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 34   and name HN  ))
      3.500     3.500     2.500 peak  1236 spectrum    1 weight  0.10000E+01 volume  0.38614E-03 ppm1      1.347 ppm2      7.562 CV     1
 ASSI { 1237}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 36   and name HD1 ))
      3.500     1.500     1.500 peak  1237 spectrum    1 weight  0.10000E+01 volume  0.38358E-03 ppm1      0.513 ppm2      7.402 CV     1
 ASSI { 1238}
   (( segid "    " and resid 27   and name HG1 ))
   (( segid "    " and resid 25   and name HE21))
      4.200     2.200     1.800 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.38358E-03 ppm1      2.170 ppm2      7.268 CV     1
 ASSI { 1240}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      4.200     2.200     1.800 peak  1240 spectrum    1 weight  0.10000E+01 volume  0.38358E-03 ppm1      9.303 ppm2      9.599 CV     1
 ASSI { 1241}
   (  segid "    " and resid 18   and name HG1%)
   (( segid "    " and resid 110  and name HN  ))
      3.700     1.700     1.700 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.38358E-03 ppm1      0.752 ppm2      8.122 CV     1
 ASSI { 1242}
   (( segid "    " and resid 87   and name HG  ))
   (  segid "    " and resid 38   and name HD% )
      4.100     2.100     1.900 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.38103E-03 ppm1      0.646 ppm2      7.502 CV     1
 ASSI { 1244}
   (  segid "    " and resid 103  and name HE% )
   (( segid "    " and resid 11   and name HN  ))
      4.200     2.200     1.800 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.38103E-03 ppm1      6.916 ppm2      9.667 CV     1
 ASSI { 1245}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 56   and name HA  ))
      3.700     1.700     1.700 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.38103E-03 ppm1      1.473 ppm2      4.303 CV     1
 ASSI { 1250}
   (  segid "    " and resid 87   and name HD1%)
   (( segid "    " and resid 36   and name HZ3 ))
      4.500     2.500     1.500 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.37335E-03 ppm1     -0.465 ppm2      6.752 CV     1
 ASSI { 1252}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HN  ))
      4.400     2.400     1.600 peak  1252 spectrum    1 weight  0.11000E+01 volume  0.37079E-03 ppm1     -0.655 ppm2      8.557 CV     1
 ASSI { 1253}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      3.500     1.500     1.500 peak  1253 spectrum    1 weight  0.10000E+01 volume  0.37079E-03 ppm1      5.353 ppm2      9.061 CV     1
 ASSI { 1256}
   (( segid "    " and resid 99  and name HB2 ))
   (( segid "    " and resid 99  and name HN  ))
      3.600     1.700     1.700 peak  1256 spectrum    1 weight  0.10000E+01 volume  0.36568E-03 ppm1      2.497 ppm2      8.122 CV     1
 ASSI { 1258}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HD22))
      4.400     2.400     1.600 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.36568E-03 ppm1      2.744 ppm2      6.976 CV     1
 ASSI { 1260}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 20   and name HN  ))
      2.300     2.300     3.700 peak  1260 spectrum    1 weight  0.10000E+01 volume  0.36312E-03 ppm1      0.897 ppm2      7.859 CV     1
 ASSI { 1264}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      3.300     1.400     1.400 peak  1264 spectrum    1 weight  0.10000E+01 volume  0.36057E-03 ppm1      8.053 ppm2      8.486 CV     1
 ASSI { 1266}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      3.700     1.700     1.700 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.35545E-03 ppm1      8.339 ppm2      9.592 CV     1
 ASSI { 1267}
   (( segid "    " and resid 109  and name HA  ))
   (  segid "    " and resid 15   and name HG2%)
      4.200     2.200     1.800 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.35545E-03 ppm1      5.506 ppm2      1.160 CV     1
 ASSI { 1268}
   (  segid "    " and resid 89   and name HE% )
   (( segid "    " and resid 36   and name HE1 ))
      3.800     1.800     1.800 peak  1268 spectrum    1 weight  0.10000E+01 volume  0.35545E-03 ppm1      6.474 ppm2     10.272 CV     1
 ASSI { 1270}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      4.400     2.400     1.600 peak  1270 spectrum    1 weight  0.10000E+01 volume  0.35545E-03 ppm1      2.882 ppm2      8.713 CV     1
 ASSI { 1272}
   (  segid "    " and resid 104  and name HG2%)
   (( segid "    " and resid 11   and name HN  ))
      4.300     2.300     1.700 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.35290E-03 ppm1      0.432 ppm2      9.674 CV     1
 ASSI { 1274}
   (( segid "    " and resid 102  and name HG1 ))
   (( segid "    " and resid 102  and name HE  ))
      3.600     1.600     1.600 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.35034E-03 ppm1      1.700 ppm2      7.160 CV     1
 ASSI { 1275}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 88   and name HN  ))
      3.500     1.500     1.500 peak  1275 spectrum    1 weight  0.10000E+01 volume  0.35034E-03 ppm1      5.166 ppm2      9.389 CV     1
 ASSI { 1276}
   (( segid "    " and resid 96   and name HB2 ))
   (( segid "    " and resid 97   and name HN  ))
      4.200     2.200     1.800 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.35034E-03 ppm1      1.926 ppm2      8.808 CV     1
 ASSI { 1278}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 50   and name HN  ))
      4.600     2.700     1.400 peak  1278 spectrum    1 weight  0.10000E+01 volume  0.34778E-03 ppm1      2.666 ppm2      7.313 CV     1
 ASSI { 1279}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 89   and name HN  ))
      4.200     2.200     1.800 peak  1279 spectrum    1 weight  0.10000E+01 volume  0.34778E-03 ppm1      1.245 ppm2      8.547 CV     1
 ASSI { 1281}
   (  segid "    " and resid 105  and name HG1%)
   (( segid "    " and resid 14   and name HN  ))
      4.000     2.000     2.000 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.34778E-03 ppm1      0.784 ppm2      9.239 CV     1
 ASSI { 1283}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 11   and name HN  ))
      4.200     2.200     1.800 peak  1283 spectrum    1 weight  0.10000E+01 volume  0.34778E-03 ppm1      1.535 ppm2      9.673 CV     1
 ASSI { 1285}
   (( segid "    " and resid 36   and name HE3 ))
   (( segid "    " and resid 103  and name HN  ))
      4.000     2.000     2.000 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.34266E-03 ppm1      7.073 ppm2      9.216 CV     1
 ASSI { 1286}
   (  segid "    " and resid 16   and name HG2%)
   (( segid "    " and resid 15   and name HN  ))
      4.500     2.500     1.500 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.34266E-03 ppm1      0.273 ppm2      8.476 CV     1
 ASSI { 1287}
   (( segid "    " and resid 9   and name HB1 ))
   (( segid "    " and resid 6    and name HN  ))
      4.400     2.400     1.600 peak  1287 spectrum    1 weight  0.10000E+01 volume  0.34266E-03 ppm1      3.452 ppm2     10.250 CV     1
 ASSI { 1288}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 62   and name HN  ))
      4.400     2.400     1.600 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.34266E-03 ppm1      1.959 ppm2      8.054 CV     1
 ASSI { 1293}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      3.700     1.700     1.700 peak  1293 spectrum    1 weight  0.10000E+01 volume  0.33755E-03 ppm1      4.935 ppm2      9.798 CV     1
 ASSI { 1294}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 75   and name HN  ))
      3.700     1.700     1.700 peak  1294 spectrum    1 weight  0.10000E+01 volume  0.33755E-03 ppm1      0.589 ppm2      9.792 CV     1
 ASSI { 1298}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 48   and name HN  ))
      4.300     2.300     1.700 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.33499E-03 ppm1      2.598 ppm2      9.017 CV     1
 ASSI { 1299}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 25   and name HE22))
      5.300     3.500     0.700 peak  1299 spectrum    1 weight  0.10000E+01 volume  0.33499E-03 ppm1     -0.653 ppm2      6.635 CV     1
 ASSI { 1300}
   (( segid "    " and resid 91   and name HG1 ))
   (  segid "    " and resid 34   and name HE% )
      4.000     2.000     2.000 peak  1300 spectrum    1 weight  0.10000E+01 volume  0.33244E-03 ppm1      0.332 ppm2      7.120 CV     1
 ASSI { 1306}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 26   and name HN  ))
      3.600     1.600     1.600 peak  1306 spectrum    1 weight  0.11000E+01 volume  0.32732E-03 ppm1     -1.281 ppm2      8.557 CV     1
 ASSI { 1309}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 36   and name HZ3 ))
      4.200     2.300     1.800 peak  1309 spectrum    1 weight  0.11000E+01 volume  0.32221E-03 ppm1     -0.653 ppm2      6.749 CV     1
 ASSI { 1310}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 74   and name HE1 ))
      4.300     2.300     1.700 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.31965E-03 ppm1      0.634 ppm2      7.952 CV     1
 ASSI { 1314}
   (( segid "    " and resid 36   and name HE3 ))
   (( segid "    " and resid 89   and name HN  ))
      3.800     1.800     1.800 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.31965E-03 ppm1      7.070 ppm2      8.541 CV     1
 ASSI { 1316}
   (  segid "    " and resid 85   and name HG2%)
   (( segid "    " and resid 86   and name HN  ))
      4.800     2.900     1.200 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.31709E-03 ppm1      0.260 ppm2      8.768 CV     1
 ASSI { 1319}
   (( segid "    " and resid 56   and name HD1 ))
   (( segid "    " and resid 74   and name HE1 ))
      4.300     2.300     1.700 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.31453E-03 ppm1      1.454 ppm2      7.952 CV     1
 ASSI { 1320}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HD21))
      4.300     2.400     1.700 peak  1320 spectrum    1 weight  0.10000E+01 volume  0.31453E-03 ppm1      3.104 ppm2      7.808 CV     1
 ASSI { 1322}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      4.400     2.400     1.600 peak  1322 spectrum    1 weight  0.10000E+01 volume  0.31198E-03 ppm1      8.724 ppm2      9.060 CV     1
 ASSI { 1323}
   (( segid "    " and resid 83   and name HB1 ))
   (( segid "    " and resid 83   and name HN  ))
      3.500     1.600     1.600 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.31198E-03 ppm1      2.910 ppm2      9.022 CV     1
 ASSI { 1328}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 8    and name HN  ))
      3.500     1.500     1.500 peak  1328 spectrum    1 weight  0.10000E+01 volume  0.30942E-03 ppm1      1.857 ppm2      7.886 CV     1
 ASSI { 1330}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      3.800     1.800     1.800 peak  1330 spectrum    1 weight  0.10000E+01 volume  0.30431E-03 ppm1      4.980 ppm2      8.475 CV     1
 ASSI { 1334}
   (( segid "    " and resid 99  and name HA  ))
   (( segid "    " and resid 100  and name HN  ))
      4.300     2.300     1.700 peak  1334 spectrum    1 weight  0.10000E+01 volume  0.29920E-03 ppm1      4.592 ppm2      7.543 CV     1
 ASSI { 1340}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 61   and name HN  ))
      3.700     1.700     1.700 peak  1340 spectrum    1 weight  0.10000E+01 volume  0.29664E-03 ppm1      1.957 ppm2      8.387 CV     1
 ASSI { 1344}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 85   and name HG2%)
      4.700     2.800     1.300 peak  1344 spectrum    1 weight  0.10000E+01 volume  0.29408E-03 ppm1      4.501 ppm2      0.261 CV     1
 ASSI { 1346}
   (  segid "    " and resid 87   and name HD1%)
   (  segid "    " and resid 57   and name HD% )
      2.400     2.400     3.600 peak  1346 spectrum    1 weight  0.11000E+01 volume  0.29408E-03 ppm1     -0.465 ppm2      7.201 CV     1
 ASSI { 1347}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HN  ))
      3.900     1.900     1.900 peak  1347 spectrum    1 weight  0.10000E+01 volume  0.29408E-03 ppm1      1.560 ppm2      8.724 CV     1
 ASSI { 1353}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 108  and name HN  ))
      4.000     2.000     2.000 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.28896E-03 ppm1      8.646 ppm2      9.140 CV     1
 ASSI { 1354}
   (  segid "    " and resid 105  and name HG1%)
   (( segid "    " and resid 9   and name HB1 ))
      4.500     2.500     1.500 peak  1354 spectrum    1 weight  0.10000E+01 volume  0.28640E-03 ppm1      0.782 ppm2      3.459 CV     1
 ASSI { 1359}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      3.400     1.500     1.500 peak  1359 spectrum    1 weight  0.11000E+01 volume  0.28385E-03 ppm1      4.890 ppm2      7.957 CV     1
 ASSI { 1361}
   (  segid "    " and resid 34   and name HD% )
   (( segid "    " and resid 91   and name HN  ))
      3.400     1.500     1.500 peak  1361 spectrum    1 weight  0.10000E+01 volume  0.28385E-03 ppm1      6.504 ppm2      7.634 CV     1
 ASSI { 1362}
   (( segid "    " and resid 87   and name HG  ))
   (( segid "    " and resid 38   and name HN  ))
      4.600     2.600     1.400 peak  1362 spectrum    1 weight  0.10000E+01 volume  0.28129E-03 ppm1      0.664 ppm2      8.939 CV     1
 ASSI { 1364}
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 94   and name HN  ))
      4.000     2.000     2.000 peak  1364 spectrum    1 weight  0.10000E+01 volume  0.28129E-03 ppm1      4.289 ppm2      6.746 CV     1
 ASSI { 1366}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HD21))
      4.100     2.100     1.900 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.28129E-03 ppm1      5.560 ppm2      7.514 CV     1
 ASSI { 1369}
   (( segid "    " and resid 108  and name HG1 ))
   (( segid "    " and resid 110  and name HD21))
      4.700     2.800     1.300 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.27874E-03 ppm1      1.221 ppm2      7.496 CV     1
 ASSI { 1370}
   (  segid "    " and resid 16   and name HG1%)
   (( segid "    " and resid 110  and name HN  ))
      5.300     3.600     0.700 peak  1370 spectrum    1 weight  0.10000E+01 volume  0.27618E-03 ppm1      0.508 ppm2      8.126 CV     1
 ASSI { 1371}
   (( segid "    " and resid 40   and name HA1 ))
   (  segid "    " and resid 37   and name HD% )
      5.400     3.600     0.600 peak  1371 spectrum    1 weight  0.10000E+01 volume  0.27618E-03 ppm1      4.243 ppm2      6.834 CV     1
 ASSI { 1373}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      3.900     1.900     1.900 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.27362E-03 ppm1      7.258 ppm2      9.674 CV     1
 ASSI { 1375}
   (( segid "    " and resid 50   and name HG1 ))
   (( segid "    " and resid 51   and name HN  ))
      4.000     2.000     2.000 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.27107E-03 ppm1      2.754 ppm2      7.420 CV     1
 ASSI { 1378}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 72   and name HN  ))
      5.100     3.200     0.900 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.27107E-03 ppm1      2.304 ppm2      9.303 CV     1
 ASSI { 1387}
   (( segid "    " and resid 91   and name HA  ))
   (  segid "    " and resid 37   and name HD% )
      5.300     3.500     0.700 peak  1387 spectrum    1 weight  0.10000E+01 volume  0.25828E-03 ppm1      4.325 ppm2      6.827 CV     1
 ASSI { 1388}
   (  segid "    " and resid 85   and name HG1%)
   (( segid "    " and resid 83   and name HE1 ))
      4.100     2.100     1.900 peak  1388 spectrum    1 weight  0.10000E+01 volume  0.25828E-03 ppm1      0.588 ppm2      7.821 CV     1
 ASSI { 1389}
   (  segid "    " and resid 34   and name HD% )
   (( segid "    " and resid 35   and name HN  ))
      4.800     2.900     1.200 peak  1389 spectrum    1 weight  0.10000E+01 volume  0.25828E-03 ppm1      6.500 ppm2      7.854 CV     1
 ASSI { 1390}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      4.500     2.500     1.500 peak  1390 spectrum    1 weight  0.10000E+01 volume  0.25444E-03 ppm1      8.721 ppm2      9.380 CV     1
 ASSI { 1391}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
      4.600     2.700     1.400 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.25086E-03 ppm1      8.119 ppm2      9.020 CV     1
 ASSI { 1393}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 36   and name HE3 ))
      3.700     1.700     1.700 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.24856E-03 ppm1      0.044 ppm2      7.072 CV     1
 ASSI { 1394}
   (( segid "    " and resid 91   and name HG1 ))
   (( segid "    " and resid 91   and name HE  ))
      3.600     1.600     1.600 peak  1394 spectrum    1 weight  0.11000E+01 volume  0.24703E-03 ppm1      0.342 ppm2      6.430 CV     1
 ASSI { 1395}
   (  segid "    " and resid 89   and name HD% )
   (( segid "    " and resid 36   and name HE1 ))
      3.900     1.900     1.900 peak  1395 spectrum    1 weight  0.11000E+01 volume  0.24396E-03 ppm1      5.578 ppm2     10.272 CV     1
 ASSI { 1396}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 90   and name HN  ))
      4.300     2.300     1.700 peak  1396 spectrum    1 weight  0.10000E+01 volume  0.24344E-03 ppm1      7.631 ppm2      8.961 CV     1
 ASSI { 1404}
   (( segid "    " and resid 25   and name HE22))
   (( segid "    " and resid 71   and name HN  ))
      4.900     3.000     1.100 peak  1404 spectrum    1 weight  0.10000E+01 volume  0.23373E-03 ppm1      6.676 ppm2      9.596 CV     1
 ASSI { 1406}
   (( segid "    " and resid 60   and name HD1 ))
   (( segid "    " and resid 70   and name HN  ))
      4.600     2.600     1.400 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.23219E-03 ppm1      3.507 ppm2      8.389 CV     1
 ASSI { 1407}
   (( segid "    " and resid 98   and name HB2 ))
   (( segid "    " and resid 99  and name HN  ))
      4.600     2.700     1.400 peak  1407 spectrum    1 weight  0.10000E+01 volume  0.23117E-03 ppm1      3.200 ppm2      8.123 CV     1
 ASSI { 1412}
   (( segid "    " and resid 44   and name HG1 ))
   (( segid "    " and resid 45   and name HN  ))
      4.700     2.800     1.300 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.22401E-03 ppm1      2.338 ppm2      8.269 CV     1
 ASSI { 1414}
   (  segid "    " and resid 87   and name HD2%)
   (( segid "    " and resid 38   and name HN  ))
      3.900     1.900     1.900 peak  1414 spectrum    1 weight  0.11000E+01 volume  0.22197E-03 ppm1     -0.806 ppm2      8.965 CV     1
 ASSI { 1417}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      4.800     2.900     1.200 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.22094E-03 ppm1      4.449 ppm2      7.989 CV     1
 ASSI { 1419}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      4.200     2.200     1.800 peak  1419 spectrum    1 weight  0.10000E+01 volume  0.21915E-03 ppm1      4.121 ppm2      7.336 CV     1
 ASSI { 1421}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 7    and name HN  ))
      4.500     2.500     1.500 peak  1421 spectrum    1 weight  0.10000E+01 volume  0.21890E-03 ppm1      1.599 ppm2      8.864 CV     1
 ASSI { 1422}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 25   and name HE22))
      5.400     3.700     0.600 peak  1422 spectrum    1 weight  0.10000E+01 volume  0.21890E-03 ppm1     -1.280 ppm2      6.638 CV     1
 ASSI { 1424}
   (( segid "    " and resid 32   and name HB  ))
   (( segid "    " and resid 33   and name HN  ))
      4.500     2.500     1.500 peak  1424 spectrum    1 weight  0.10000E+01 volume  0.21762E-03 ppm1      4.579 ppm2      7.815 CV     1
 ASSI { 1425}
   (  segid "    " and resid 51   and name HD% )
   (( segid "    " and resid 51   and name HN  ))
      4.000     2.000     2.000 peak  1425 spectrum    1 weight  0.10000E+01 volume  0.21711E-03 ppm1      6.655 ppm2      7.419 CV     1
 ASSI { 1427}
   (( segid "    " and resid 91   and name HG1 ))
   (  segid "    " and resid 34   and name HD% )
      3.300     3.300     2.700 peak  1427 spectrum    1 weight  0.11000E+01 volume  0.21455E-03 ppm1      0.338 ppm2      6.502 CV     1
 ASSI { 1428}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HN  ))
      4.500     2.500     1.500 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.21404E-03 ppm1      2.322 ppm2      9.594 CV     1
 ASSI { 1429}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 52   and name HN  ))
      4.700     2.800     1.300 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.21353E-03 ppm1      0.905 ppm2      8.825 CV     1
 ASSI { 1430}
   (  segid "    " and resid 89   and name HE% )
   (( segid "    " and resid 36   and name HN  ))
      4.200     2.200     1.800 peak  1430 spectrum    1 weight  0.10000E+01 volume  0.21276E-03 ppm1      6.473 ppm2      8.915 CV     1
 ASSI { 1434}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 21   and name HN  ))
      5.500     3.800     0.500 peak  1434 spectrum    1 weight  0.10000E+01 volume  0.20688E-03 ppm1      2.264 ppm2      8.213 CV     1
 ASSI { 1435}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HD22))
      4.600     2.700     1.400 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.20636E-03 ppm1      5.582 ppm2      6.944 CV     1
 ASSI { 1436}
   (( segid "    " and resid 91   and name HA  ))
   (  segid "    " and resid 37   and name HE% )
      4.900     3.000     1.100 peak  1436 spectrum    1 weight  0.10000E+01 volume  0.20586E-03 ppm1      4.304 ppm2      6.687 CV     1
 ASSI { 1437}
   (( segid "    " and resid 36   and name HH2 ))
   (( segid "    " and resid 36   and name HE1 ))
      4.800     2.900     1.200 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.20534E-03 ppm1      6.760 ppm2     10.260 CV     1
 ASSI { 1440}
   (( segid "    " and resid 91   and name HG1 ))
   (( segid "    " and resid 93   and name HZ2 ))
      4.600     2.600     1.400 peak  1440 spectrum    1 weight  0.10000E+01 volume  0.20432E-03 ppm1      0.353 ppm2      7.403 CV     1
 ASSI { 1441}
   (( segid "    " and resid 21   and name HG  ))
   (( segid "    " and resid 75   and name HN  ))
      4.300     2.300     1.700 peak  1441 spectrum    1 weight  0.10000E+01 volume  0.20381E-03 ppm1      1.298 ppm2      9.792 CV     1
 ASSI { 1446}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 25   and name HE22))
      5.100     3.300     0.900 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.19946E-03 ppm1      0.125 ppm2      6.639 CV     1
 ASSI { 1448}
   (( segid "    " and resid 105  and name HA  ))
   (  segid "    " and resid 106  and name HE% )
      4.700     2.800     1.300 peak  1448 spectrum    1 weight  0.10000E+01 volume  0.19819E-03 ppm1      4.296 ppm2      6.578 CV     1
 ASSI { 1456}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HD22))
      4.900     3.000     1.100 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.19051E-03 ppm1      3.203 ppm2      6.977 CV     1
 ASSI { 1458}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 6    and name HN  ))
      5.000     3.100     1.000 peak  1458 spectrum    1 weight  0.11000E+01 volume  0.18821E-03 ppm1      0.125 ppm2     10.255 CV     1
 ASSI { 1459}
   (( segid "    " and resid 92   and name HB2 ))
   (( segid "    " and resid 93   and name HZ3 ))
      5.200     3.400     0.800 peak  1459 spectrum    1 weight  0.10000E+01 volume  0.18770E-03 ppm1      1.372 ppm2      7.206 CV     1
 ASSI { 1461}
   (  segid "    " and resid 87   and name HD2%)
   (( segid "    " and resid 39   and name HN  ))
      5.100     3.200     0.900 peak  1461 spectrum    1 weight  0.11000E+01 volume  0.18693E-03 ppm1     -0.807 ppm2      9.167 CV     1
 ASSI { 1462}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 47   and name HN  ))
      4.700     2.800     1.300 peak  1462 spectrum    1 weight  0.10000E+01 volume  0.18693E-03 ppm1      2.273 ppm2      7.561 CV     1
 ASSI { 1464}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 8    and name HN  ))
      5.000     3.200     1.000 peak  1464 spectrum    1 weight  0.10000E+01 volume  0.18284E-03 ppm1      1.706 ppm2      7.888 CV     1
 ASSI { 1468}
   (  segid "    " and resid 84   and name HB% )
   (( segid "    " and resid 106  and name HB2 ))
      5.400     3.600     0.600 peak  1468 spectrum    1 weight  0.10000E+01 volume  0.17721E-03 ppm1      1.330 ppm2      2.413 CV     1
 ASSI { 1469}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      4.000     2.000     2.000 peak  1469 spectrum    1 weight  0.10000E+01 volume  0.17594E-03 ppm1      5.157 ppm2      8.414 CV     1
 ASSI { 1470}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      5.100     3.300     0.900 peak  1470 spectrum    1 weight  0.10000E+01 volume  0.17364E-03 ppm1      8.268 ppm2      8.502 CV     1
 ASSI { 1471}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 56   and name HN  ))
      4.800     2.900     1.200 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.17261E-03 ppm1      2.249 ppm2      8.334 CV     1
 ASSI { 1473}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HD1 ))
      4.700     2.700     1.300 peak  1473 spectrum    1 weight  0.10000E+01 volume  0.17159E-03 ppm1      5.007 ppm2      7.399 CV     1
 ASSI { 1476}
   (  segid "    " and resid 87   and name HD1%)
   (( segid "    " and resid 88   and name HN  ))
      5.700     4.000     0.300 peak  1476 spectrum    1 weight  0.10000E+01 volume  0.16903E-03 ppm1     -0.464 ppm2      9.385 CV     1
 ASSI { 1479}
   (( segid "    " and resid 81   and name HA1 ))
   (( segid "    " and resid 47   and name HD22))
      4.300     2.300     1.700 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.16673E-03 ppm1      4.284 ppm2      6.988 CV     1
 ASSI { 1483}
   (  segid "    " and resid 34   and name HD% )
   (( segid "    " and resid 90   and name HN  ))
      4.700     2.800     1.300 peak  1483 spectrum    1 weight  0.10000E+01 volume  0.16213E-03 ppm1      6.502 ppm2      8.973 CV     1
 ASSI { 1486}
   (( segid "    " and resid 2    and name HB1 ))
   (( segid "    " and resid 3    and name HD2 ))
      4.900     3.000     1.100 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.16187E-03 ppm1      3.741 ppm2      6.989 CV     1
 ASSI { 1488}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      4.100     2.100     1.900 peak  1488 spectrum    1 weight  0.10000E+01 volume  0.16034E-03 ppm1      8.124 ppm2      8.412 CV     1
 ASSI { 1495}
   (  segid "    " and resid 104  and name HG2%)
   (( segid "    " and resid 107  and name HN  ))
      4.700     2.700     1.300 peak  1495 spectrum    1 weight  0.10000E+01 volume  0.15752E-03 ppm1      0.463 ppm2      9.179 CV     1
 ASSI { 1496}
   (( segid "    " and resid 60   and name HB1 ))
   (( segid "    " and resid 61   and name HN  ))
      4.800     2.900     1.200 peak  1496 spectrum    1 weight  0.10000E+01 volume  0.15676E-03 ppm1      2.219 ppm2      8.389 CV     1
 ASSI { 1498}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 72   and name HN  ))
      5.100     3.300     0.900 peak  1498 spectrum    1 weight  0.10000E+01 volume  0.15624E-03 ppm1      1.884 ppm2      9.299 CV     1
 ASSI { 1500}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      4.700     2.800     1.300 peak  1500 spectrum    1 weight  0.11000E+01 volume  0.15599E-03 ppm1      8.942 ppm2      8.417 CV     1
 ASSI { 1502}
   (( segid "    " and resid 9   and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      4.100     2.100     1.900 peak  1502 spectrum    1 weight  0.10000E+01 volume  0.15522E-03 ppm1      3.290 ppm2      7.259 CV     1
 ASSI { 1503}
   (( segid "    " and resid 9   and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
      4.800     2.900     1.200 peak  1503 spectrum    1 weight  0.10000E+01 volume  0.15471E-03 ppm1      3.279 ppm2      9.670 CV     1
 ASSI { 1504}
   (  segid "    " and resid 85   and name HG2%)
   (( segid "    " and resid 83   and name HD2 ))
      4.700     2.700     1.300 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.15318E-03 ppm1      0.260 ppm2      6.737 CV     1
 ASSI { 1508}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 3    and name HE1 ))
      4.400     2.400     1.600 peak  1508 spectrum    1 weight  0.10000E+01 volume  0.14781E-03 ppm1      0.579 ppm2      8.300 CV     1
 ASSI { 1513}
   (  segid "    " and resid 5    and name HG1%)
   (( segid "    " and resid 9   and name HN  ))
      5.400     3.600     0.600 peak  1513 spectrum    1 weight  0.10000E+01 volume  0.14320E-03 ppm1      0.844 ppm2      8.173 CV     1
 ASSI { 1517}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 73   and name HN  ))
      4.200     2.300     1.800 peak  1517 spectrum    1 weight  0.11000E+01 volume  0.14115E-03 ppm1      0.126 ppm2      9.603 CV     1
 ASSI { 1519}
   (( segid "    " and resid 87   and name HG  ))
   (( segid "    " and resid 38   and name HZ  ))
      5.000     3.100     1.000 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.14090E-03 ppm1      0.651 ppm2      7.266 CV     1
 ASSI { 1520}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      4.500     2.500     1.500 peak  1520 spectrum    1 weight  0.10000E+01 volume  0.13860E-03 ppm1      7.565 ppm2      9.015 CV     1
 ASSI { 1521}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      4.600     2.600     1.400 peak  1521 spectrum    1 weight  0.11000E+01 volume  0.13783E-03 ppm1      8.862 ppm2     10.238 CV     1
 ASSI { 1523}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 76   and name HN  ))
      4.800     2.900     1.200 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.13348E-03 ppm1      1.237 ppm2      8.716 CV     1
 ASSI { 1527}
   (  segid "    " and resid 103  and name HD% )
   (( segid "    " and resid 11   and name HN  ))
      5.300     3.500     0.700 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.13298E-03 ppm1      6.695 ppm2      9.671 CV     1
 ASSI { 1528}
   (  segid "    " and resid 75   and name HG1%)
   (( segid "    " and resid 83   and name HE1 ))
      5.200     3.300     0.800 peak  1528 spectrum    1 weight  0.10000E+01 volume  0.13272E-03 ppm1      0.895 ppm2      7.778 CV     1
 ASSI { 1529}
   (( segid "    " and resid 108  and name HD1 ))
   (( segid "    " and resid 110  and name HD22))
      4.400     2.400     1.600 peak  1529 spectrum    1 weight  0.10000E+01 volume  0.13144E-03 ppm1      1.479 ppm2      6.640 CV     1
 ASSI { 1531}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 36   and name HE1 ))
      4.600     2.600     1.400 peak  1531 spectrum    1 weight  0.11000E+01 volume  0.12940E-03 ppm1     -0.651 ppm2     10.272 CV     1
 ASSI { 1533}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 29   and name HD22))
      5.800     4.200     0.200 peak  1533 spectrum    1 weight  0.10000E+01 volume  0.12632E-03 ppm1      2.406 ppm2      6.987 CV     1
 ASSI { 1540}
   (  segid "    " and resid 94   and name HG2%)
   (( segid "    " and resid 95   and name HN  ))
      3.500     3.500     2.500 peak  1540 spectrum    1 weight  0.10000E+01 volume  0.12044E-03 ppm1      0.836 ppm2      7.587 CV     1
 ASSI { 1542}
   (  segid "    " and resid 77   and name HG2%)
   (( segid "    " and resid 79   and name HN  ))
      4.700     2.700     1.300 peak  1542 spectrum    1 weight  0.10000E+01 volume  0.11865E-03 ppm1      0.818 ppm2      7.323 CV     1
 ASSI { 1543}
   (  segid "    " and resid 31   and name HG2%)
   (( segid "    " and resid 36   and name HD1 ))
      5.200     3.400     0.800 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.11815E-03 ppm1      1.350 ppm2      7.417 CV     1
 ASSI { 1555}
   (( segid "    " and resid 98   and name HB1 ))
   (( segid "    " and resid 98   and name HD2 ))
      4.700     2.700     1.300 peak  1555 spectrum    1 weight  0.10000E+01 volume  0.10970E-03 ppm1      3.259 ppm2      7.229 CV     1
 ASSI { 1557}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 5    and name HN  ))
      5.900     4.300     0.100 peak  1557 spectrum    1 weight  0.11000E+01 volume  0.10868E-03 ppm1      0.132 ppm2      8.947 CV     1
 ASSI { 1559}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 29   and name HN  ))
      5.100     3.200     0.900 peak  1559 spectrum    1 weight  0.10000E+01 volume  0.10766E-03 ppm1      3.578 ppm2      8.222 CV     1
 ASSI { 1563}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 50   and name HN  ))
      5.800     4.200     0.200 peak  1563 spectrum    1 weight  0.10000E+01 volume  0.10459E-03 ppm1      2.902 ppm2      7.313 CV     1
 ASSI { 1565}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 72   and name HN  ))
      4.600     2.600     1.400 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.10408E-03 ppm1      0.429 ppm2      9.332 CV     1
 ASSI { 1569}
   (( segid "    " and resid 20   and name HG1 ))
   (( segid "    " and resid 20   and name HN  ))
      4.900     3.000     1.100 peak  1569 spectrum    1 weight  0.10000E+01 volume  0.10050E-03 ppm1      2.408 ppm2      7.861 CV     1
 ASSI { 1571}
   (  segid "    " and resid 24   and name HD1%)
   (( segid "    " and resid 25   and name HN  ))
      5.700     4.000     0.300 peak  1571 spectrum    1 weight  0.10000E+01 volume  0.99735E-04 ppm1      0.597 ppm2      8.420 CV     1
 ASSI { 1572}
   (( segid "    " and resid 3    and name HB1 ))
   (( segid "    " and resid 17   and name HN  ))
      5.200     3.300     0.800 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.98960E-04 ppm1      3.039 ppm2      8.337 CV     1
 ASSI { 1573}
   (( segid "    " and resid 81   and name HA2 ))
   (( segid "    " and resid 47   and name HD22))
      5.600     4.000     0.400 peak  1573 spectrum    1 weight  0.10000E+01 volume  0.98960E-04 ppm1      3.690 ppm2      6.989 CV     1
 ASSI { 1578}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HE1 ))
      5.800     4.200     0.200 peak  1578 spectrum    1 weight  0.10000E+01 volume  0.93597E-04 ppm1      2.996 ppm2      7.952 CV     1
 ASSI { 1579}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 72   and name HE1 ))
      5.600     3.900     0.400 peak  1579 spectrum    1 weight  0.10000E+01 volume  0.91549E-04 ppm1      1.071 ppm2      7.953 CV     1
 ASSI { 1580}
   (  segid "    " and resid 38   and name HD% )
   (( segid "    " and resid 86   and name HN  ))
      4.900     3.000     1.100 peak  1580 spectrum    1 weight  0.10000E+01 volume  0.90266E-04 ppm1      7.497 ppm2      8.769 CV     1
 ASSI { 1581}
   (( segid "    " and resid 56   and name HD1 ))
   (  segid "    " and resid 57   and name HD% )
      5.300     3.400     0.700 peak  1581 spectrum    1 weight  0.10000E+01 volume  0.89251E-04 ppm1      1.441 ppm2      7.205 CV     1
 ASSI { 1584}
   (( segid "    " and resid 98   and name HB2 ))
   (( segid "    " and resid 98   and name HD2 ))
      5.000     3.200     1.000 peak  1584 spectrum    1 weight  0.10000E+01 volume  0.86686E-04 ppm1      3.196 ppm2      7.229 CV     1
 ASSI { 1589}
   (  segid "    " and resid 82   and name HG2%)
   (( segid "    " and resid 110  and name HD21))
      6.000     4.600     0.000 peak  1589 spectrum    1 weight  0.10000E+01 volume  0.84643E-04 ppm1      0.972 ppm2      7.504 CV     1
 ASSI { 1596}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 41   and name HN  ))
      4.500     2.500     1.500 peak  1596 spectrum    1 weight  0.10000E+01 volume  0.79274E-04 ppm1      3.437 ppm2      8.647 CV     1
 ASSI { 1597}
   (  segid "    " and resid 18   and name HG1%)
   (( segid "    " and resid 21   and name HN  ))
      5.300     3.500     0.700 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.78506E-04 ppm1      0.719 ppm2      8.214 CV     1
 ASSI { 1599}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 48   and name HN  ))
      6.000     4.500     0.000 peak  1599 spectrum    1 weight  0.10000E+01 volume  0.76204E-04 ppm1      2.298 ppm2      9.015 CV     1
 ASSI { 1602}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      6.000     4.400     0.000 peak  1602 spectrum    1 weight  0.10000E+01 volume  0.71346E-04 ppm1      7.420 ppm2      7.988 CV     1
 ASSI { 1607}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 25   and name HE21))
      5.100     3.300     0.900 peak  1607 spectrum    1 weight  0.10000E+01 volume  0.68021E-04 ppm1      1.554 ppm2      7.244 CV     1
 ASSI { 1608}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 51   and name HN  ))
      4.800     2.900     1.200 peak  1608 spectrum    1 weight  0.10000E+01 volume  0.67766E-04 ppm1      2.222 ppm2      7.418 CV     1
 ASSI { 1609}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 3    and name HD2 ))
      4.400     2.400     1.600 peak  1609 spectrum    1 weight  0.10000E+01 volume  0.67766E-04 ppm1      2.762 ppm2      7.019 CV     1
 ASSI { 1611}
   (  segid "    " and resid 64   and name HD2%)
   (( segid "    " and resid 65   and name HN  ))
      6.000     4.600     0.000 peak  1611 spectrum    1 weight  0.10000E+01 volume  0.66999E-04 ppm1      0.820 ppm2      8.116 CV     1
 ASSI { 1612}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 26   and name HN  ))
      5.700     4.100     0.300 peak  1612 spectrum    1 weight  0.10000E+01 volume  0.66232E-04 ppm1      3.037 ppm2      8.547 CV     1
 ASSI { 1614}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      5.000     3.100     1.000 peak  1614 spectrum    1 weight  0.10000E+01 volume  0.63930E-04 ppm1      4.289 ppm2      7.583 CV     1
 ASSI { 1618}
   (( segid "    " and resid 43   and name HD1 ))
   (  segid "    " and resid 38   and name HD% )
      6.000     4.600     0.000 peak  1618 spectrum    1 weight  0.10000E+01 volume  0.61884E-04 ppm1      1.651 ppm2      7.506 CV     1
 ASSI { 1623}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 70   and name HN  ))
      5.700     4.100     0.300 peak  1623 spectrum    1 weight  0.10000E+01 volume  0.59583E-04 ppm1      2.336 ppm2      8.384 CV     1
 ASSI { 1624}
   (( segid "    " and resid 104  and name HA  ))
   (  segid "    " and resid 103  and name HE% )
      5.600     3.900     0.400 peak  1624 spectrum    1 weight  0.10000E+01 volume  0.58304E-04 ppm1      5.334 ppm2      6.942 CV     1
 ASSI { 1626}
   (( segid "    " and resid 20   and name HG1 ))
   (( segid "    " and resid 21   and name HN  ))
      6.000     5.700     0.000 peak  1626 spectrum    1 weight  0.10000E+01 volume  0.54980E-04 ppm1      2.412 ppm2      8.215 CV     1
 ASSI { 1627}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HN  ))
      5.700     4.100     0.300 peak  1627 spectrum    1 weight  0.10000E+01 volume  0.54724E-04 ppm1      2.896 ppm2      7.421 CV     1
 ASSI { 1628}
   (  segid "    " and resid 37   and name HD% )
   (( segid "    " and resid 35   and name HN  ))
      5.200     3.300     0.800 peak  1628 spectrum    1 weight  0.10000E+01 volume  0.54469E-04 ppm1      6.830 ppm2      7.852 CV     1
 ASSI { 1630}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 21   and name HN  ))
      5.400     3.700     0.600 peak  1630 spectrum    1 weight  0.10000E+01 volume  0.53445E-04 ppm1      0.633 ppm2      8.211 CV     1
 ASSI { 1631}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 74   and name HB2 ))
      5.600     3.900     0.400 peak  1631 spectrum    1 weight  0.10000E+01 volume  0.53190E-04 ppm1      2.178 ppm2      3.019 CV     1
 ASSI { 1633}
   (  segid "    " and resid 87   and name HD1%)
   (  segid "    " and resid 38   and name HD% )
      6.000     5.300     0.000 peak  1633 spectrum    1 weight  0.11000E+01 volume  0.52678E-04 ppm1     -0.465 ppm2      7.496 CV     1
 ASSI { 1634}
   (( segid "    " and resid 101  and name HG1 ))
   (( segid "    " and resid 102  and name HN  ))
      4.500     4.500     1.500 peak  1634 spectrum    1 weight  0.10000E+01 volume  0.50121E-04 ppm1      2.290 ppm2      8.486 CV     1
 ASSI { 1640}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 25   and name HN  ))
      5.800     4.200     0.200 peak  1640 spectrum    1 weight  0.11000E+01 volume  0.45007E-04 ppm1     -0.652 ppm2      8.428 CV     1
 ASSI { 1642}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 56   and name HN  ))
      5.600     3.900     0.400 peak  1642 spectrum    1 weight  0.10000E+01 volume  0.44495E-04 ppm1      1.476 ppm2      8.333 CV     1
 OR { 1642}
   (( segid "    " and resid 56   and name HD1 ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI { 1643}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      5.700     4.100     0.300 peak  1643 spectrum    1 weight  0.10000E+01 volume  0.44240E-04 ppm1      8.274 ppm2      8.897 CV     1
 ASSI { 1644}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      6.000     4.800     0.000 peak  1644 spectrum    1 weight  0.11000E+01 volume  0.43984E-04 ppm1      8.724 ppm2      9.791 CV     1
 ASSI { 1645}
   (  segid "    " and resid 85   and name HG2%)
   (  segid "    " and resid 38   and name HE% )
      6.000     5.000     0.000 peak  1645 spectrum    1 weight  0.10000E+01 volume  0.43728E-04 ppm1      0.261 ppm2      6.875 CV     1
 ASSI { 1646}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 47   and name HN  ))
      6.000     5.500     0.000 peak  1646 spectrum    1 weight  0.10000E+01 volume  0.43217E-04 ppm1      1.999 ppm2      7.562 CV     1
 ASSI { 1647}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 26   and name HN  ))
      5.800     4.100     0.200 peak  1647 spectrum    1 weight  0.11000E+01 volume  0.43217E-04 ppm1      0.129 ppm2      8.548 CV     1
 ASSI { 1649}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 58   and name HN  ))
      5.800     4.200     0.200 peak  1649 spectrum    1 weight  0.10000E+01 volume  0.42449E-04 ppm1      3.104 ppm2      8.485 CV     1
 ASSI { 1653}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 52   and name HN  ))
      5.800     4.200     0.200 peak  1653 spectrum    1 weight  0.10000E+01 volume  0.41427E-04 ppm1      0.585 ppm2      8.824 CV     1
 ASSI { 1654}
   (  segid "    " and resid 87   and name HD2%)
   (( segid "    " and resid 36   and name HZ3 ))
      6.000     5.600     0.000 peak  1654 spectrum    1 weight  0.10000E+01 volume  0.39892E-04 ppm1     -0.806 ppm2      6.751 CV     1
 ASSI { 1655}
   (( segid "    " and resid 109  and name HA  ))
   (  segid "    " and resid 77   and name HG1%)
      5.800     4.100     0.200 peak  1655 spectrum    1 weight  0.10000E+01 volume  0.36568E-04 ppm1      5.513 ppm2      0.945 CV     1
 ASSI { 1662}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      6.000     5.000     0.000 peak  1662 spectrum    1 weight  0.10000E+01 volume  0.34011E-04 ppm1      4.631 ppm2      8.216 CV     1
 ASSI { 1667}
   (( segid "    " and resid 6    and name HA  ))
   (  segid "    " and resid 103  and name HE% )
      6.000     4.600     0.000 peak  1667 spectrum    1 weight  0.10000E+01 volume  0.32221E-04 ppm1      5.162 ppm2      6.941 CV     1
 ASSI { 1668}
   (( segid "    " and resid 108  and name HB1 ))
   (( segid "    " and resid 110  and name HD22))
      5.600     3.900     0.400 peak  1668 spectrum    1 weight  0.10000E+01 volume  0.32221E-04 ppm1      1.779 ppm2      6.639 CV     1
 ASSI { 1669}
   (( segid "    " and resid 24   and name HG12))
   (( segid "    " and resid 73   and name HN  ))
      6.000     4.900     0.000 peak  1669 spectrum    1 weight  0.10000E+01 volume  0.31709E-04 ppm1      0.590 ppm2      9.600 CV     1
 OR { 1669}
   (  segid "    " and resid 24   and name HD1%)
   (( segid "    " and resid 73   and name HN  ))
 ASSI { 1673}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 103  and name HE% )
      6.000     4.600     0.000 peak  1673 spectrum    1 weight  0.10000E+01 volume  0.30175E-04 ppm1     -0.653 ppm2      6.883 CV     1
 ASSI { 1674}
   (  segid "    " and resid 38   and name HD% )
   (( segid "    " and resid 44   and name HN  ))
      5.900     4.300     0.100 peak  1674 spectrum    1 weight  0.10000E+01 volume  0.29664E-04 ppm1      7.499 ppm2      7.952 CV     1
 ASSI { 1675}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      6.000     5.300     0.000 peak  1675 spectrum    1 weight  0.11000E+01 volume  0.29152E-04 ppm1      9.601 ppm2      9.788 CV     1
 ASSI { 1678}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      6.000     5.500     0.000 peak  1678 spectrum    1 weight  0.10000E+01 volume  0.28385E-04 ppm1      4.509 ppm2      8.213 CV     1
 ASSI { 1679}
   (( segid "    " and resid 110  and name HB2 ))
   (( segid "    " and resid 110  and name HD21))
      5.600     3.900     0.400 peak  1679 spectrum    1 weight  0.10000E+01 volume  0.28129E-04 ppm1      2.663 ppm2      7.503 CV     1
 OR { 1679}
   (( segid "    " and resid 110  and name HB1 ))
   (( segid "    " and resid 110  and name HD21))
 ASSI { 1682}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      5.700     4.100     0.300 peak  1682 spectrum    1 weight  0.10000E+01 volume  0.24089E-04 ppm1      4.399 ppm2      8.504 CV     1
 ASSI { 1690}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 86   and name HD21))
      6.000     4.500     0.000 peak  1690 spectrum    1 weight  0.10000E+01 volume  0.17286E-04 ppm1      5.390 ppm2      7.562 CV     1
 ASSI { 1691}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      6.000     5.700     0.000 peak  1691 spectrum    1 weight  0.10000E+01 volume  0.17159E-04 ppm1      8.214 ppm2      9.387 CV     1
 ASSI { 1692}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 15   and name HN  ))
      6.000     6.000     0.000 peak  1692 spectrum    1 weight  0.10000E+01 volume  0.17107E-04 ppm1      1.166 ppm2      8.472 CV     1
 ASSI { 1694}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 70   and name HN  ))
      6.000     6.000     0.000 peak  1694 spectrum    1 weight  0.10000E+01 volume  0.15599E-04 ppm1      2.406 ppm2      8.380 CV     1
 ASSI { 1699}
   (( segid "    " and resid 81   and name HA1 ))
   (( segid "    " and resid 81   and name HN  ))
      6.000     5.200     0.000 peak  1699 spectrum    1 weight  0.10000E+01 volume  0.12965E-04 ppm1      4.241 ppm2      8.450 CV     1
 ASSI { 1703}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 25   and name HE22))
      6.000     6.000     0.000 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.11789E-04 ppm1      1.171 ppm2      6.674 CV     1
 ASSI { 1705}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      6.000     5.200     0.000 peak  1705 spectrum    1 weight  0.11000E+01 volume  0.11098E-04 ppm1      4.500 ppm2      9.063 CV     1
 ASSI { 1706}
   (  segid "    " and resid 35   and name HB% )
   (( segid "    " and resid 92   and name HD1 ))
      6.000     6.000     0.000 peak  1706 spectrum    1 weight  0.10000E+01 volume  0.99984E-05 ppm1      1.300 ppm2      3.567 CV     1
 ASSI { 1707}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      6.000     5.800     0.000 peak  1707 spectrum    1 weight  0.10000E+01 volume  0.94105E-05 ppm1      7.867 ppm2      8.211 CV     1
 ASSI { 1713}
   (( segid "    " and resid 91   and name HG1 ))
   (( segid "    " and resid 91   and name HN  ))
      6.000     6.000     0.000 peak  1713 spectrum    1 weight  0.10000E+01 volume  0.26339E-05 ppm1      0.349 ppm2      7.638 CV     1
 ASSI { 1715}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 94   and name HN  ))
      6.000     6.000     0.000 peak  1715 spectrum    1 weight  0.10000E+01 volume  0.21097E-05 ppm1      4.548 ppm2      6.745 CV     1
 ASSI { 1716}
   (( segid "    " and resid 60   and name HD1 ))
   (( segid "    " and resid 69   and name HN  ))
      6.000     6.000     0.000 peak  1716 spectrum    1 weight  0.10000E+01 volume  0.19332E-05 ppm1      3.507 ppm2      8.216 CV     1
 ASSI {    6}
   (( segid "    " and resid 59   and name HG1 ))
   (( segid "    " and resid 59   and name HD2 ))
      1.900     0.500     0.500 peak     6 spectrum    1 weight  0.10000E+01 volume  0.17736E-01 ppm1      2.023 ppm2      3.552 CV     1
 ASSI {    7}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 78   and name HB1 ))
      1.600     0.300     0.600 peak     7 spectrum    1 weight  0.10000E+01 volume  0.15875E-01 ppm1      1.347 ppm2      1.812 CV     1
 ASSI {    8}
   (( segid "    " and resid 110  and name HB1 ))
   (( segid "    " and resid 110  and name HA  ))
      2.000     0.500     0.500 peak     8 spectrum    1 weight  0.10000E+01 volume  0.15765E-01 ppm1      2.697 ppm2      4.534 CV     1
 ASSI {   10}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 27   and name HG2 ))
      2.300     0.600     0.600 peak    10 spectrum    1 weight  0.10000E+01 volume  0.14670E-01 ppm1      2.404 ppm2      2.016 CV     1
 ASSI {   12}
   (( segid "    " and resid 11   and name HA2 ))
   (( segid "    " and resid 11   and name HA1 ))
      1.800     0.400     0.400 peak    12 spectrum    1 weight  0.10000E+01 volume  0.14342E-01 ppm1      3.367 ppm2      4.243 CV     1
 ASSI {   13}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HB1 ))
      1.800     0.400     0.400 peak    13 spectrum    1 weight  0.10000E+01 volume  0.14123E-01 ppm1      2.744 ppm2      3.214 CV     1
 ASSI {   15}
   (( segid "    " and resid 42   and name HB  ))
   (  segid "    " and resid 42   and name HG2%)
      2.100     0.600     0.600 peak    15 spectrum    1 weight  0.10000E+01 volume  0.13904E-01 ppm1      4.392 ppm2      1.242 CV     1
 ASSI {   16}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 25   and name HG1 ))
      1.600     0.300     0.600 peak    16 spectrum    1 weight  0.10000E+01 volume  0.13794E-01 ppm1      1.161 ppm2      1.839 CV     1
 ASSI {   17}
   (( segid "    " and resid 52   and name HB  ))
   (  segid "    " and resid 52   and name HG2%)
      2.100     0.600     0.600 peak    17 spectrum    1 weight  0.10000E+01 volume  0.13794E-01 ppm1      4.364 ppm2      1.251 CV     1
 ASSI {   19}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 18   and name HG1%)
      2.100     0.500     0.500 peak    19 spectrum    1 weight  0.10000E+01 volume  0.13576E-01 ppm1      3.202 ppm2      0.780 CV     1
 ASSI {   21}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HD1 ))
      2.300     2.300     3.700 peak    21 spectrum    1 weight  0.10000E+01 volume  0.12699E-01 ppm1      4.900 ppm2      1.646 CV     1
 ASSI {   22}
   (( segid "    " and resid 76   and name HB  ))
   (  segid "    " and resid 76   and name HG2%)
      2.100     0.500     0.500 peak    22 spectrum    1 weight  0.10000E+01 volume  0.12481E-01 ppm1      4.039 ppm2      0.933 CV     1
 ASSI {   23}
   (( segid "    " and resid 94   and name HB  ))
   (  segid "    " and resid 94   and name HG2%)
      2.000     0.500     0.500 peak    23 spectrum    1 weight  0.10000E+01 volume  0.11933E-01 ppm1      3.976 ppm2      0.842 CV     1
 ASSI {   24}
   (  segid "    " and resid 31   and name HG2%)
   (( segid "    " and resid 31   and name HB  ))
      2.100     0.600     0.600 peak    24 spectrum    1 weight  0.10000E+01 volume  0.11933E-01 ppm1      1.322 ppm2      4.251 CV     1
 ASSI {   27}
   (( segid "    " and resid 15   and name HB  ))
   (  segid "    " and resid 15   and name HG2%)
      2.200     0.600     0.600 peak    27 spectrum    1 weight  0.10000E+01 volume  0.11495E-01 ppm1      4.048 ppm2      1.169 CV     1
 ASSI {   29}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 26   and name HB2 ))
      2.000     0.500     0.500 peak    29 spectrum    1 weight  0.10000E+01 volume  0.11057E-01 ppm1     -1.271 ppm2      0.432 CV     1
 ASSI {   30}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HB2 ))
      2.500     0.800     0.800 peak    30 spectrum    1 weight  0.10000E+01 volume  0.11057E-01 ppm1     -0.642 ppm2      0.413 CV     1
 ASSI {   31}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 100  and name HA  ))
      2.400     2.400     3.600 peak    31 spectrum    1 weight  0.10000E+01 volume  0.10948E-01 ppm1      1.307 ppm2      4.486 CV     1
 ASSI {   32}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HB1 ))
      2.300     0.700     0.700 peak    32 spectrum    1 weight  0.10000E+01 volume  0.10806E-01 ppm1      4.125 ppm2      3.796 CV     1
 ASSI {   37}
   (  segid "    " and resid 35   and name HB% )
   (( segid "    " and resid 91   and name HA  ))
      2.600     2.600     3.400 peak    37 spectrum    1 weight  0.10000E+01 volume  0.10258E-01 ppm1      1.246 ppm2      4.359 CV     1
 ASSI {   38}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      2.000     0.500     0.500 peak    38 spectrum    1 weight  0.10000E+01 volume  0.10214E-01 ppm1      4.985 ppm2      8.676 CV     1
 ASSI {   39}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 12   and name HB% )
      2.100     0.600     0.600 peak    39 spectrum    1 weight  0.10000E+01 volume  0.10138E-01 ppm1      4.385 ppm2      1.501 CV     1
 ASSI {   40}
   (  segid "    " and resid 82   and name HG2%)
   (( segid "    " and resid 82   and name HA  ))
      2.100     0.500     0.500 peak    40 spectrum    1 weight  0.10000E+01 volume  0.10115E-01 ppm1      0.942 ppm2      4.933 CV     1
 ASSI {   41}
   (  segid "    " and resid 87   and name HD1%)
   (( segid "    " and resid 87   and name HG  ))
      2.000     0.500     0.500 peak    41 spectrum    1 weight  0.10000E+01 volume  0.10115E-01 ppm1     -0.458 ppm2      0.625 CV     1
 ASSI {   42}
   (( segid "    " and resid 80   and name HA  ))
   (  segid "    " and resid 80   and name HB% )
      2.200     0.600     0.600 peak    42 spectrum    1 weight  0.10000E+01 volume  0.95465E-02 ppm1      3.997 ppm2      1.389 CV     1
 ASSI {   43}
   (( segid "    " and resid 79   and name HA  ))
   (  segid "    " and resid 79   and name HB% )
      2.200     0.600     0.600 peak    43 spectrum    1 weight  0.10000E+01 volume  0.93055E-02 ppm1      4.698 ppm2      1.574 CV     1
 ASSI {   47}
   (  segid "    " and resid 16   and name HG1%)
   (( segid "    " and resid 16   and name HB  ))
      2.100     0.600     0.600 peak    47 spectrum    1 weight  0.10000E+01 volume  0.91084E-02 ppm1      0.519 ppm2      2.029 CV     1
 ASSI {   52}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 62   and name HA  ))
      2.400     0.700     0.700 peak    52 spectrum    1 weight  0.10000E+01 volume  0.86600E-02 ppm1      3.940 ppm2      4.290 CV     1
 ASSI {   53}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
      2.100     0.500     0.500 peak    53 spectrum    1 weight  0.10000E+01 volume  0.85174E-02 ppm1      5.142 ppm2      8.734 CV     1
 ASSI {   54}
   (  segid "    " and resid 75   and name HG1%)
   (( segid "    " and resid 75   and name HB  ))
      2.200     0.600     0.600 peak    54 spectrum    1 weight  0.10000E+01 volume  0.84736E-02 ppm1      0.933 ppm2      2.005 CV     1
 ASSI {   55}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 64   and name HA  ))
      2.300     0.700     0.700 peak    55 spectrum    1 weight  0.10000E+01 volume  0.84408E-02 ppm1      1.566 ppm2      4.316 CV     1
 ASSI {   56}
   (( segid "    " and resid 96   and name HD1 ))
   (( segid "    " and resid 96   and name HG1 ))
      2.000     0.500     0.500 peak    56 spectrum    1 weight  0.10000E+01 volume  0.84298E-02 ppm1      3.522 ppm2      1.985 CV     1
 ASSI {   57}
   (  segid "    " and resid 17   and name HB% )
   (( segid "    " and resid 17   and name HA  ))
      2.300     0.600     0.600 peak    57 spectrum    1 weight  0.10000E+01 volume  0.83751E-02 ppm1      1.327 ppm2      5.104 CV     1
 ASSI {   58}
   (( segid "    " and resid 70   and name HB  ))
   (  segid "    " and resid 70   and name HG2%)
      2.200     0.600     0.600 peak    58 spectrum    1 weight  0.10000E+01 volume  0.81562E-02 ppm1      3.803 ppm2      1.002 CV     1
 ASSI {   59}
   (( segid "    " and resid 24   and name HG11))
   (( segid "    " and resid 24   and name HG12))
      1.800     0.400     0.400 peak    59 spectrum    1 weight  0.10000E+01 volume  0.81124E-02 ppm1      1.564 ppm2      0.638 CV     1
 ASSI {   62}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 50   and name HE% )
      2.600     2.600     3.400 peak    62 spectrum    1 weight  0.10000E+01 volume  0.78496E-02 ppm1      4.068 ppm2      1.994 CV     1
 ASSI {   64}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 26   and name HD2%)
      2.200     0.600     0.600 peak    64 spectrum    1 weight  0.10000E+01 volume  0.77182E-02 ppm1     -0.642 ppm2     -1.274 CV     1
 ASSI {   65}
   (( segid "    " and resid 102  and name HD1 ))
   (( segid "    " and resid 102  and name HG1 ))
      2.400     0.700     0.700 peak    65 spectrum    1 weight  0.10000E+01 volume  0.77073E-02 ppm1      3.147 ppm2      1.710 CV     1
 ASSI {   68}
   (  segid "    " and resid 17   and name HB% )
   (( segid "    " and resid 20   and name HG1 ))
      2.400     2.400     3.600 peak    68 spectrum    1 weight  0.10000E+01 volume  0.76197E-02 ppm1      1.327 ppm2      2.373 CV     1
 ASSI {   70}
   (( segid "    " and resid 22   and name HB  ))
   (  segid "    " and resid 21   and name HD1%)
      2.800     2.800     3.200 peak    70 spectrum    1 weight  0.10000E+01 volume  0.74774E-02 ppm1      1.991 ppm2      0.698 CV     1
 ASSI {   73}
   (  segid "    " and resid 87   and name HD2%)
   (( segid "    " and resid 38   and name HA  ))
      2.200     0.600     0.600 peak    73 spectrum    1 weight  0.10000E+01 volume  0.72475E-02 ppm1     -0.807 ppm2      4.887 CV     1
 ASSI {   77}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      2.700     2.700     3.300 peak    77 spectrum    1 weight  0.10000E+01 volume  0.70394E-02 ppm1      5.098 ppm2      9.224 CV     1
 ASSI {   78}
   (  segid "    " and resid 87   and name HD1%)
   (  segid "    " and resid 87   and name HD2%)
      2.200     0.600     0.600 peak    78 spectrum    1 weight  0.10000E+01 volume  0.70176E-02 ppm1     -0.458 ppm2     -0.802 CV     1
 ASSI {   84}
   (( segid "    " and resid 2    and name HB1 ))
   (  segid "    " and resid 22   and name HG2%)
      2.400     0.700     0.700 peak    84 spectrum    1 weight  0.10000E+01 volume  0.67986E-02 ppm1      3.738 ppm2      0.680 CV     1
 ASSI {   85}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 4    and name HA  ))
      2.200     0.600     0.600 peak    85 spectrum    1 weight  0.10000E+01 volume  0.67986E-02 ppm1      1.666 ppm2      4.898 CV     1
 ASSI {   88}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HG  ))
      2.300     0.700     0.700 peak    88 spectrum    1 weight  0.10000E+01 volume  0.66891E-02 ppm1      0.582 ppm2      1.334 CV     1
 ASSI {   91}
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 94   and name HB  ))
      2.300     0.700     0.700 peak    91 spectrum    1 weight  0.10000E+01 volume  0.65687E-02 ppm1      4.295 ppm2      3.958 CV     1
 ASSI {   92}
   (( segid "    " and resid 65   and name HB1 ))
   (  segid "    " and resid 65   and name HD2%)
      2.500     0.800     0.800 peak    92 spectrum    1 weight  0.10000E+01 volume  0.64154E-02 ppm1      1.567 ppm2      0.884 CV     1
 OR {   92}
   (( segid "    " and resid 65   and name HB1 ))
   (  segid "    " and resid 65   and name HD1%)
 ASSI {   96}
   (  segid "    " and resid 87   and name HD2%)
   (( segid "    " and resid 87   and name HG  ))
      2.200     0.600     0.600 peak    96 spectrum    1 weight  0.10000E+01 volume  0.62622E-02 ppm1     -0.807 ppm2      0.641 CV     1
 ASSI {  100}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HB  ))
      2.300     0.700     0.700 peak   100 spectrum    1 weight  0.10000E+01 volume  0.61636E-02 ppm1      5.171 ppm2      4.717 CV     1
 ASSI {  102}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 36   and name HZ2 ))
      2.500     2.500     3.500 peak   102 spectrum    1 weight  0.10000E+01 volume  0.61527E-02 ppm1      3.924 ppm2      6.904 CV     1
 ASSI {  106}
   (  segid "    " and resid 24   and name HD1%)
   (( segid "    " and resid 24   and name HG11))
      2.100     0.500     0.500 peak   106 spectrum    1 weight  0.10000E+01 volume  0.59994E-02 ppm1      0.610 ppm2      1.608 CV     1
 ASSI {  107}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 36   and name HB2 ))
      1.900     0.400     0.400 peak   107 spectrum    1 weight  0.10000E+01 volume  0.59775E-02 ppm1      3.128 ppm2      2.652 CV     1
 ASSI {  113}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 7    and name HD1 ))
      2.200     0.600     0.600 peak   113 spectrum    1 weight  0.10000E+01 volume  0.58242E-02 ppm1     -0.642 ppm2      1.667 CV     1
 ASSI {  114}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 42   and name HA  ))
      2.400     0.700     0.700 peak   114 spectrum    1 weight  0.10000E+01 volume  0.58242E-02 ppm1      1.230 ppm2      5.094 CV     1
 ASSI {  115}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HB1 ))
      2.600     0.900     0.900 peak   115 spectrum    1 weight  0.10000E+01 volume  0.58242E-02 ppm1      4.919 ppm2      2.866 CV     1
 ASSI {  116}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 33   and name HA1 ))
      2.700     2.700     3.300 peak   116 spectrum    1 weight  0.10000E+01 volume  0.58242E-02 ppm1      3.847 ppm2      4.288 CV     1
 ASSI {  118}
   (( segid "    " and resid 102  and name HA  ))
   (( segid "    " and resid 103  and name HN  ))
      2.100     0.500     0.500 peak   118 spectrum    1 weight  0.10000E+01 volume  0.56929E-02 ppm1      5.349 ppm2      9.228 CV     1
 ASSI {  119}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 22   and name HB  ))
      2.200     0.600     0.600 peak   119 spectrum    1 weight  0.10000E+01 volume  0.56929E-02 ppm1      0.680 ppm2      1.960 CV     1
 ASSI {  120}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
      2.500     0.800     0.800 peak   120 spectrum    1 weight  0.10000E+01 volume  0.56929E-02 ppm1      5.083 ppm2      2.668 CV     1
 ASSI {  124}
   (( segid "    " and resid 63   and name HE1 ))
   (( segid "    " and resid 63   and name HD1 ))
      2.400     0.700     0.700 peak   124 spectrum    1 weight  0.10000E+01 volume  0.54630E-02 ppm1      2.972 ppm2      1.639 CV     1
 ASSI {  126}
   (  segid "    " and resid 50   and name HE% )
   (( segid "    " and resid 78   and name HD1 ))
      2.400     0.700     0.700 peak   126 spectrum    1 weight  0.10000E+01 volume  0.54082E-02 ppm1      2.020 ppm2      1.591 CV     1
 ASSI {  128}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      2.200     0.600     0.600 peak   128 spectrum    1 weight  0.10000E+01 volume  0.53864E-02 ppm1      5.014 ppm2      9.105 CV     1
 ASSI {  130}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HA  ))
      2.200     0.600     0.600 peak   130 spectrum    1 weight  0.10000E+01 volume  0.52878E-02 ppm1     -0.642 ppm2      4.743 CV     1
 ASSI {  133}
   (  segid "    " and resid 90   and name HE% )
   (( segid "    " and resid 92   and name HA  ))
      2.500     0.800     0.800 peak   133 spectrum    1 weight  0.10000E+01 volume  0.52221E-02 ppm1      1.839 ppm2      3.551 CV     1
 ASSI {  136}
   (  segid "    " and resid 87   and name HD1%)
   (  segid "    " and resid 26   and name HD2%)
      2.300     0.700     0.700 peak   136 spectrum    1 weight  0.10000E+01 volume  0.51893E-02 ppm1     -0.458 ppm2     -1.272 CV     1
 ASSI {  138}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HD1 ))
      2.600     0.900     0.900 peak   138 spectrum    1 weight  0.10000E+01 volume  0.51345E-02 ppm1      5.586 ppm2      3.934 CV     1
 ASSI {  142}
   (( segid "    " and resid 26   and name HB1 ))
   (  segid "    " and resid 26   and name HD2%)
      2.900     1.000     1.000 peak   142 spectrum    1 weight  0.10000E+01 volume  0.49922E-02 ppm1      0.530 ppm2     -1.275 CV     1
 ASSI {  143}
   (( segid "    " and resid 107  and name HB1 ))
   (  segid "    " and resid 16   and name HG1%)
      2.500     0.800     0.800 peak   143 spectrum    1 weight  0.10000E+01 volume  0.49703E-02 ppm1      1.925 ppm2      0.535 CV     1
 ASSI {  146}
   (  segid "    " and resid 18   and name HG1%)
   (( segid "    " and resid 3    and name HB2 ))
      3.400     1.400     1.400 peak   146 spectrum    1 weight  0.10000E+01 volume  0.49266E-02 ppm1      0.756 ppm2      2.807 CV     1
 ASSI {  150}
   (  segid "    " and resid 90   and name HE% )
   (( segid "    " and resid 88   and name HB  ))
      2.500     0.800     0.800 peak   150 spectrum    1 weight  0.10000E+01 volume  0.48608E-02 ppm1      1.839 ppm2      3.861 CV     1
 ASSI {  152}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 21   and name HB2 ))
      2.500     0.800     0.800 peak   152 spectrum    1 weight  0.10000E+01 volume  0.48389E-02 ppm1      0.657 ppm2      1.533 CV     1
 ASSI {  155}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
      2.600     0.800     0.800 peak   155 spectrum    1 weight  0.10000E+01 volume  0.48061E-02 ppm1      1.225 ppm2      9.252 CV     1
 ASSI {  157}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 57   and name HA  ))
      2.100     0.600     0.600 peak   157 spectrum    1 weight  0.10000E+01 volume  0.47623E-02 ppm1      3.114 ppm2      5.061 CV     1
 ASSI {  162}
   (( segid "    " and resid 107  and name HB1 ))
   (( segid "    " and resid 83   and name HB2 ))
      2.900     2.900     3.100 peak   162 spectrum    1 weight  0.10000E+01 volume  0.46856E-02 ppm1      1.925 ppm2      2.822 CV     1
 ASSI {  168}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HA  ))
      2.600     0.800     0.800 peak   168 spectrum    1 weight  0.10000E+01 volume  0.45214E-02 ppm1      2.629 ppm2      4.487 CV     1
 ASSI {  169}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 24   and name HB  ))
      2.300     0.700     0.700 peak   169 spectrum    1 weight  0.10000E+01 volume  0.45105E-02 ppm1      0.133 ppm2      1.774 CV     1
 ASSI {  170}
   (( segid "    " and resid 46   and name HD1 ))
   (( segid "    " and resid 48   and name HB1 ))
      2.700     2.700     3.300 peak   170 spectrum    1 weight  0.10000E+01 volume  0.44777E-02 ppm1      3.210 ppm2      1.929 CV     1
 ASSI {  172}
   (  segid "    " and resid 26   and name HD2%)
   (  segid "    " and resid 73   and name HD% )
      2.600     0.800     0.800 peak   172 spectrum    1 weight  0.10000E+01 volume  0.44668E-02 ppm1     -1.271 ppm2      6.864 CV     1
 ASSI {  174}
   (  segid "    " and resid 90   and name HE% )
   (( segid "    " and resid 90   and name HB2 ))
      2.200     0.600     0.600 peak   174 spectrum    1 weight  0.10000E+01 volume  0.44120E-02 ppm1      1.838 ppm2      1.419 CV     1
 ASSI {  180}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 92   and name HD1 ))
      3.000     1.100     1.100 peak   180 spectrum    1 weight  0.10000E+01 volume  0.42806E-02 ppm1      4.324 ppm2      3.559 CV     1
 ASSI {  182}
   (( segid "    " and resid 4    and name HG1 ))
   (( segid "    " and resid 4    and name HE1 ))
      2.500     0.800     0.800 peak   182 spectrum    1 weight  0.10000E+01 volume  0.42368E-02 ppm1      1.152 ppm2      2.805 CV     1
 ASSI {  198}
   (  segid "    " and resid 13   and name HG2%)
   (( segid "    " and resid 106  and name HB1 ))
      2.800     1.000     1.000 peak   198 spectrum    1 weight  0.10000E+01 volume  0.39959E-02 ppm1      0.954 ppm2      3.156 CV     1
 ASSI {  200}
   (( segid "    " and resid 46   and name HD1 ))
   (( segid "    " and resid 46   and name HD2 ))
      2.000     0.500     0.500 peak   200 spectrum    1 weight  0.10000E+01 volume  0.39850E-02 ppm1      3.208 ppm2      2.667 CV     1
 ASSI {  209}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 76   and name HN  ))
      2.500     0.800     0.800 peak   209 spectrum    1 weight  0.10000E+01 volume  0.38864E-02 ppm1      4.043 ppm2      8.728 CV     1
 ASSI {  212}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 18   and name HA  ))
      2.900     2.900     3.100 peak   212 spectrum    1 weight  0.10000E+01 volume  0.38646E-02 ppm1      2.046 ppm2      3.204 CV     1
 ASSI {  214}
   (( segid "    " and resid 44   and name HG1 ))
   (( segid "    " and resid 43   and name HA  ))
      3.500     1.500     1.500 peak   214 spectrum    1 weight  0.10000E+01 volume  0.38318E-02 ppm1      2.339 ppm2      4.872 CV     1
 ASSI {  215}
   (( segid "    " and resid 21   and name HG  ))
   (  segid "    " and resid 21   and name HD1%)
      2.500     0.800     0.800 peak   215 spectrum    1 weight  0.10000E+01 volume  0.38208E-02 ppm1      1.324 ppm2      0.690 CV     1
 ASSI {  217}
   (( segid "    " and resid 91   and name HB1 ))
   (( segid "    " and resid 91   and name HB2 ))
      1.800     0.400     0.400 peak   217 spectrum    1 weight  0.10000E+01 volume  0.37660E-02 ppm1      0.757 ppm2      0.011 CV     1
 ASSI {  220}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 24   and name HG2%)
      2.400     0.700     0.700 peak   220 spectrum    1 weight  0.10000E+01 volume  0.37223E-02 ppm1      4.456 ppm2      0.136 CV     1
 ASSI {  226}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 76   and name HN  ))
      2.800     1.000     1.000 peak   226 spectrum    1 weight  0.10000E+01 volume  0.36785E-02 ppm1      0.597 ppm2      8.717 CV     1
 ASSI {  230}
   (( segid "    " and resid 101  and name HG1 ))
   (( segid "    " and resid 36   and name HH2 ))
      2.700     0.900     0.900 peak   230 spectrum    1 weight  0.10000E+01 volume  0.36456E-02 ppm1      2.289 ppm2      6.777 CV     1
 ASSI {  232}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HB2 ))
      2.200     0.600     0.600 peak   232 spectrum    1 weight  0.10000E+01 volume  0.36237E-02 ppm1      3.924 ppm2      1.729 CV     1
 ASSI {  238}
   (  segid "    " and resid 90   and name HE% )
   (( segid "    " and resid 90   and name HG1 ))
      2.600     0.900     0.900 peak   238 spectrum    1 weight  0.10000E+01 volume  0.35581E-02 ppm1      1.839 ppm2      2.523 CV     1
 ASSI {  239}
   (( segid "    " and resid 83   and name HB1 ))
   (( segid "    " and resid 107  and name HB1 ))
      2.600     2.600     3.400 peak   239 spectrum    1 weight  0.10000E+01 volume  0.35471E-02 ppm1      2.900 ppm2      1.941 CV     1
 ASSI {  240}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 108  and name HN  ))
      2.400     0.700     0.700 peak   240 spectrum    1 weight  0.10000E+01 volume  0.35471E-02 ppm1      4.970 ppm2      9.156 CV     1
 ASSI {  244}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 10   and name HA  ))
      3.100     1.200     1.200 peak   244 spectrum    1 weight  0.10000E+01 volume  0.35143E-02 ppm1     -0.642 ppm2      3.982 CV     1
 ASSI {  247}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HA  ))
      2.700     0.900     0.900 peak   247 spectrum    1 weight  0.10000E+01 volume  0.34924E-02 ppm1      0.412 ppm2      4.757 CV     1
 ASSI {  248}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HB1 ))
      6.000     6.000     0.000 peak   248 spectrum    1 weight  0.10000E+01 volume  0.20691E-05 ppm1      5.578 ppm2      2.095 CV     1
 ASSI {  253}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 75   and name HB  ))
      2.500     0.800     0.800 peak   253 spectrum    1 weight  0.10000E+01 volume  0.34814E-02 ppm1      0.598 ppm2      2.024 CV     1
 ASSI {  254}
   (( segid "    " and resid 56   and name HD1 ))
   (( segid "    " and resid 55   and name HB2 ))
      3.100     3.100     2.900 peak   254 spectrum    1 weight  0.10000E+01 volume  0.34704E-02 ppm1      1.447 ppm2      2.137 CV     1
 ASSI {  256}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 106  and name HA  ))
      2.400     0.700     0.700 peak   256 spectrum    1 weight  0.10000E+01 volume  0.34486E-02 ppm1      4.509 ppm2      5.100 CV     1
 ASSI {  257}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 83   and name HB2 ))
      3.100     3.100     2.900 peak   257 spectrum    1 weight  0.10000E+01 volume  0.34486E-02 ppm1      0.597 ppm2      2.773 CV     1
 ASSI {  261}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 75   and name HA  ))
      2.900     1.100     1.100 peak   261 spectrum    1 weight  0.10000E+01 volume  0.34048E-02 ppm1      0.596 ppm2      5.130 CV     1
 ASSI {  262}
   (( segid "    " and resid 9   and name HB1 ))
   (  segid "    " and resid 5    and name HG1%)
      2.700     0.900     0.900 peak   262 spectrum    1 weight  0.10000E+01 volume  0.33938E-02 ppm1      3.467 ppm2      0.817 CV     1
 ASSI {  265}
   (  segid "    " and resid 5    and name HG1%)
   (( segid "    " and resid 106  and name HN  ))
      3.700     3.700     2.300 peak   265 spectrum    1 weight  0.10000E+01 volume  0.33720E-02 ppm1      0.834 ppm2      8.646 CV     1
 ASSI {  267}
   (( segid "    " and resid 102  and name HG1 ))
   (( segid "    " and resid 87   and name HA  ))
      2.700     2.700     3.300 peak   267 spectrum    1 weight  0.10000E+01 volume  0.33610E-02 ppm1      1.668 ppm2      4.885 CV     1
 ASSI {  269}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 38   and name HD% )
      2.400     0.700     0.700 peak   269 spectrum    1 weight  0.10000E+01 volume  0.33391E-02 ppm1      4.892 ppm2      7.500 CV     1
 ASSI {  270}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 106  and name HN  ))
      2.500     0.800     0.800 peak   270 spectrum    1 weight  0.10000E+01 volume  0.33391E-02 ppm1      5.096 ppm2      8.644 CV     1
 ASSI {  274}
   (( segid "    " and resid 79   and name HA  ))
   (  segid "    " and resid 18   and name HG1%)
      3.100     3.100     2.900 peak   274 spectrum    1 weight  0.10000E+01 volume  0.33062E-02 ppm1      4.699 ppm2      0.759 CV     1
 ASSI {  275}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 16   and name HN  ))
      2.700     0.900     0.900 peak   275 spectrum    1 weight  0.10000E+01 volume  0.33062E-02 ppm1      1.169 ppm2      8.672 CV     1
 ASSI {  277}
   (( segid "    " and resid 82   and name HB  ))
   (( segid "    " and resid 82   and name HA  ))
      2.600     0.900     0.900 peak   277 spectrum    1 weight  0.10000E+01 volume  0.32953E-02 ppm1      3.860 ppm2      4.913 CV     1
 ASSI {  280}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 35   and name HB% )
      2.600     0.800     0.800 peak   280 spectrum    1 weight  0.10000E+01 volume  0.32625E-02 ppm1      4.123 ppm2      1.274 CV     1
 ASSI {  281}
   (  segid "    " and resid 75   and name HG1%)
   (( segid "    " and resid 73   and name HB1 ))
      2.600     2.600     3.400 peak   281 spectrum    1 weight  0.10000E+01 volume  0.32296E-02 ppm1      0.937 ppm2      2.809 CV     1
 ASSI {  282}
   (( segid "    " and resid 87   and name HA  ))
   (  segid "    " and resid 87   and name HD2%)
      2.600     0.900     0.900 peak   282 spectrum    1 weight  0.10000E+01 volume  0.32077E-02 ppm1      4.892 ppm2     -0.799 CV     1
 ASSI {  284}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HB2 ))
      2.900     1.000     1.000 peak   284 spectrum    1 weight  0.10000E+01 volume  0.31858E-02 ppm1      4.435 ppm2      1.985 CV     1
 ASSI {  289}
   (  segid "    " and resid 87   and name HD2%)
   (  segid "    " and resid 73   and name HD% )
      2.700     0.900     0.900 peak   289 spectrum    1 weight  0.10000E+01 volume  0.31310E-02 ppm1     -0.807 ppm2      6.901 CV     1
 ASSI {  290}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HA  ))
      3.000     1.100     1.100 peak   290 spectrum    1 weight  0.10000E+01 volume  0.31201E-02 ppm1      2.744 ppm2      5.566 CV     1
 ASSI {  294}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 9   and name HB2 ))
      6.000     6.000     0.000 peak   294 spectrum    1 weight  0.10000E+01 volume  0.81014E-05 ppm1     -1.270 ppm2      3.277 CV     1
 ASSI {  297}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 14   and name HD1%)
      2.700     0.900     0.900 peak   297 spectrum    1 weight  0.10000E+01 volume  0.30873E-02 ppm1      1.224 ppm2      0.614 CV     1
 ASSI {  299}
   (  segid "    " and resid 24   and name HD1%)
   (  segid "    " and resid 103  and name HE% )
      2.900     1.100     1.100 peak   299 spectrum    1 weight  0.10000E+01 volume  0.30544E-02 ppm1      0.610 ppm2      6.902 CV     1
 ASSI {  308}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 77   and name HG1%)
      2.900     1.100     1.100 peak   308 spectrum    1 weight  0.10000E+01 volume  0.29888E-02 ppm1      3.816 ppm2      0.888 CV     1
 ASSI {  309}
   (( segid "    " and resid 107  and name HB2 ))
   (  segid "    " and resid 16   and name HG1%)
      2.600     0.800     0.800 peak   309 spectrum    1 weight  0.10000E+01 volume  0.29778E-02 ppm1      1.014 ppm2      0.544 CV     1
 ASSI {  312}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HD1 ))
      2.200     0.600     0.600 peak   312 spectrum    1 weight  0.10000E+01 volume  0.29340E-02 ppm1      4.721 ppm2      4.034 CV     1
 ASSI {  313}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HA  ))
      2.400     0.700     0.700 peak   313 spectrum    1 weight  0.10000E+01 volume  0.29231E-02 ppm1      2.934 ppm2      3.993 CV     1
 ASSI {  316}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 15   and name HA  ))
      2.700     0.900     0.900 peak   316 spectrum    1 weight  0.10000E+01 volume  0.29011E-02 ppm1      4.046 ppm2      4.959 CV     1
 ASSI {  319}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB1 ))
      2.400     0.700     0.700 peak   319 spectrum    1 weight  0.10000E+01 volume  0.28793E-02 ppm1      4.889 ppm2      3.475 CV     1
 ASSI {  320}
   (( segid "    " and resid 102  and name HB2 ))
   (( segid "    " and resid 102  and name HD1 ))
      2.900     1.000     1.000 peak   320 spectrum    1 weight  0.10000E+01 volume  0.28793E-02 ppm1      1.687 ppm2      3.149 CV     1
 ASSI {  323}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 22   and name HA  ))
      2.500     0.800     0.800 peak   323 spectrum    1 weight  0.10000E+01 volume  0.28683E-02 ppm1      0.680 ppm2      4.415 CV     1
 ASSI {  325}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 3    and name HB2 ))
      3.100     3.100     2.900 peak   325 spectrum    1 weight  0.10000E+01 volume  0.28464E-02 ppm1      1.173 ppm2      2.789 CV     1
 ASSI {  326}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 28   and name HA  ))
      3.000     3.000     3.000 peak   326 spectrum    1 weight  0.10000E+01 volume  0.28245E-02 ppm1      2.027 ppm2      4.794 CV     1
 ASSI {  330}
   (( segid "    " and resid 70   and name HB  ))
   (( segid "    " and resid 58   and name HB2 ))
      2.500     0.800     0.800 peak   330 spectrum    1 weight  0.10000E+01 volume  0.28245E-02 ppm1      3.799 ppm2      2.662 CV     1
 ASSI {  337}
   (  segid "    " and resid 35   and name HB% )
   (( segid "    " and resid 90   and name HN  ))
      3.100     1.200     1.200 peak   337 spectrum    1 weight  0.10000E+01 volume  0.27807E-02 ppm1      1.272 ppm2      8.974 CV     1
 ASSI {  340}
   (  segid "    " and resid 16   and name HG1%)
   (  segid "    " and resid 109  and name HB% )
      3.400     1.400     1.400 peak   340 spectrum    1 weight  0.10000E+01 volume  0.27589E-02 ppm1      0.519 ppm2      1.323 CV     1
 ASSI {  343}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 52   and name HG2%)
      3.100     3.100     2.900 peak   343 spectrum    1 weight  0.10000E+01 volume  0.27150E-02 ppm1      4.077 ppm2      1.262 CV     1
 ASSI {  344}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 38   and name HB2 ))
      2.700     0.900     0.900 peak   344 spectrum    1 weight  0.10000E+01 volume  0.27041E-02 ppm1      2.168 ppm2      3.175 CV     1
 ASSI {  347}
   (  segid "    " and resid 87   and name HD2%)
   (( segid "    " and resid 38   and name HZ  ))
      2.800     1.000     1.000 peak   347 spectrum    1 weight  0.10000E+01 volume  0.27041E-02 ppm1     -0.807 ppm2      7.258 CV     1
 ASSI {  352}
   (  segid "    " and resid 94   and name HG2%)
   (( segid "    " and resid 91   and name HA  ))
      3.500     1.500     1.500 peak   352 spectrum    1 weight  0.10000E+01 volume  0.26712E-02 ppm1      0.834 ppm2      4.354 CV     1
 ASSI {  353}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB1 ))
      2.600     0.800     0.800 peak   353 spectrum    1 weight  0.10000E+01 volume  0.26712E-02 ppm1      4.875 ppm2      2.162 CV     1
 ASSI {  355}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HA  ))
      2.800     1.000     1.000 peak   355 spectrum    1 weight  0.10000E+01 volume  0.26603E-02 ppm1      1.957 ppm2      4.870 CV     1
 ASSI {  359}
   (( segid "    " and resid 78   and name HD1 ))
   (( segid "    " and resid 78   and name HA  ))
      3.100     1.200     1.200 peak   359 spectrum    1 weight  0.10000E+01 volume  0.26384E-02 ppm1      1.570 ppm2      4.445 CV     1
 ASSI {  360}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 38   and name HB2 ))
      2.700     2.700     3.300 peak   360 spectrum    1 weight  0.10000E+01 volume  0.26056E-02 ppm1      1.233 ppm2      3.162 CV     1
 ASSI {  364}
   (( segid "    " and resid 19   and name HA2 ))
   (  segid "    " and resid 76   and name HG2%)
      3.000     3.000     3.000 peak   364 spectrum    1 weight  0.10000E+01 volume  0.25399E-02 ppm1      3.580 ppm2      0.883 CV     1
 ASSI {  365}
   (  segid "    " and resid 16   and name HG2%)
   (( segid "    " and resid 108  and name HB2 ))
      3.300     1.400     1.400 peak   365 spectrum    1 weight  0.10000E+01 volume  0.25290E-02 ppm1      0.269 ppm2      1.269 CV     1
 ASSI {  366}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 52   and name HG2%)
      3.200     1.200     1.200 peak   366 spectrum    1 weight  0.10000E+01 volume  0.25290E-02 ppm1      4.822 ppm2      1.265 CV     1
 ASSI {  367}
   (( segid "    " and resid 21   and name HG  ))
   (( segid "    " and resid 21   and name HA  ))
      2.900     1.000     1.000 peak   367 spectrum    1 weight  0.10000E+01 volume  0.25071E-02 ppm1      1.321 ppm2      4.881 CV     1
 ASSI {  369}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HA  ))
      2.600     0.800     0.800 peak   369 spectrum    1 weight  0.10000E+01 volume  0.24961E-02 ppm1      1.511 ppm2      4.877 CV     1
 ASSI {  371}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 22   and name HA  ))
      2.800     2.800     3.200 peak   371 spectrum    1 weight  0.10000E+01 volume  0.24851E-02 ppm1      2.053 ppm2      4.383 CV     1
 ASSI {  376}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 87   and name HN  ))
      3.000     3.000     3.000 peak   376 spectrum    1 weight  0.10000E+01 volume  0.24633E-02 ppm1      5.170 ppm2      9.297 CV     1
 ASSI {  383}
   (( segid "    " and resid 27   and name HD2 ))
   (( segid "    " and resid 27   and name HG2 ))
      2.300     0.600     0.600 peak   383 spectrum    1 weight  0.10000E+01 volume  0.24304E-02 ppm1      3.380 ppm2      2.043 CV     1
 ASSI {  384}
   (( segid "    " and resid 65   and name HG  ))
   (( segid "    " and resid 60   and name HD1 ))
      2.900     2.900     3.100 peak   384 spectrum    1 weight  0.10000E+01 volume  0.24085E-02 ppm1      1.563 ppm2      3.566 CV     1
 ASSI {  385}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 76   and name HG2%)
      3.400     1.400     1.400 peak   385 spectrum    1 weight  0.10000E+01 volume  0.24085E-02 ppm1      5.090 ppm2      0.911 CV     1
 ASSI {  395}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 2    and name HB1 ))
      3.200     1.200     1.200 peak   395 spectrum    1 weight  0.10000E+01 volume  0.23538E-02 ppm1      2.051 ppm2      3.751 CV     1
 ASSI {  403}
   (  segid "    " and resid 104  and name HG2%)
   (( segid "    " and resid 105  and name HA  ))
      2.800     1.000     1.000 peak   403 spectrum    1 weight  0.10000E+01 volume  0.23100E-02 ppm1      0.437 ppm2      4.336 CV     1
 ASSI {  404}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 38   and name HZ  ))
      2.900     1.100     1.100 peak   404 spectrum    1 weight  0.10000E+01 volume  0.22991E-02 ppm1      4.004 ppm2      7.293 CV     1
 ASSI {  405}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HA  ))
      3.000     3.000     3.000 peak   405 spectrum    1 weight  0.10000E+01 volume  0.22991E-02 ppm1      4.907 ppm2      4.465 CV     1
 ASSI {  406}
   (( segid "    " and resid 108  and name HB2 ))
   (( segid "    " and resid 82   and name HA  ))
      3.300     1.300     1.300 peak   406 spectrum    1 weight  0.10000E+01 volume  0.22881E-02 ppm1      1.274 ppm2      4.883 CV     1
 ASSI {  409}
   (( segid "    " and resid 103  and name HB2 ))
   (( segid "    " and resid 26   and name HA  ))
      1.900     1.900     4.100 peak   409 spectrum    1 weight  0.10000E+01 volume  0.22772E-02 ppm1      2.259 ppm2      4.724 CV     1
 ASSI {  411}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 5    and name HB  ))
      2.600     0.900     0.900 peak   411 spectrum    1 weight  0.10000E+01 volume  0.22662E-02 ppm1      4.455 ppm2      1.877 CV     1
 ASSI {  414}
   (( segid "    " and resid 21   and name HB1 ))
   (  segid "    " and resid 21   and name HD1%)
      3.300     1.400     1.400 peak   414 spectrum    1 weight  0.10000E+01 volume  0.22552E-02 ppm1      1.624 ppm2      0.684 CV     1
 ASSI {  418}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 1    and name HB1 ))
      3.400     3.400     2.600 peak   418 spectrum    1 weight  0.10000E+01 volume  0.22443E-02 ppm1      0.652 ppm2      3.704 CV     1
 ASSI {  420}
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 24   and name HG12))
      2.800     1.000     1.000 peak   420 spectrum    1 weight  0.10000E+01 volume  0.22334E-02 ppm1      1.776 ppm2      0.613 CV     1
 OR {  420}
   (( segid "    " and resid 24   and name HB  ))
   (  segid "    " and resid 24   and name HD1%)
 ASSI {  422}
   (( segid "    " and resid 27   and name HD1 ))
   (( segid "    " and resid 27   and name HG2 ))
      3.000     1.100     1.100 peak   422 spectrum    1 weight  0.10000E+01 volume  0.22224E-02 ppm1      4.033 ppm2      2.045 CV     1
 ASSI {  429}
   (( segid "    " and resid 80   and name HA  ))
   (  segid "    " and resid 18   and name HG1%)
      3.200     3.200     2.800 peak   429 spectrum    1 weight  0.10000E+01 volume  0.21677E-02 ppm1      3.997 ppm2      0.772 CV     1
 ASSI {  434}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 26   and name HA  ))
      2.600     0.800     0.800 peak   434 spectrum    1 weight  0.10000E+01 volume  0.21130E-02 ppm1      0.531 ppm2      4.773 CV     1
 ASSI {  435}
   (( segid "    " and resid 56   and name HD1 ))
   (  segid "    " and resid 73   and name HD% )
      3.200     3.200     2.800 peak   435 spectrum    1 weight  0.10000E+01 volume  0.21130E-02 ppm1      1.451 ppm2      6.874 CV     1
 ASSI {  439}
   (  segid "    " and resid 87   and name HD2%)
   (( segid "    " and resid 88   and name HN  ))
      3.800     1.800     1.800 peak   439 spectrum    1 weight  0.10000E+01 volume  0.20801E-02 ppm1     -0.807 ppm2      9.383 CV     1
 ASSI {  440}
   (( segid "    " and resid 29   and name HB1 ))
   (  segid "    " and resid 31   and name HG2%)
      3.300     1.300     1.300 peak   440 spectrum    1 weight  0.10000E+01 volume  0.20691E-02 ppm1      3.211 ppm2      1.305 CV     1
 ASSI {  441}
   (  segid "    " and resid 90   and name HE% )
   (  segid "    " and resid 37   and name HD% )
      3.400     1.500     1.500 peak   441 spectrum    1 weight  0.10000E+01 volume  0.20691E-02 ppm1      1.840 ppm2      6.823 CV     1
 ASSI {  443}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 66   and name HA1 ))
      3.400     1.400     1.400 peak   443 spectrum    1 weight  0.10000E+01 volume  0.20582E-02 ppm1      4.432 ppm2      4.044 CV     1
 ASSI {  444}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 59   and name HG1 ))
      3.900     1.900     1.900 peak   444 spectrum    1 weight  0.10000E+01 volume  0.20582E-02 ppm1      4.581 ppm2      1.997 CV     1
 ASSI {  455}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 23   and name HA  ))
      3.400     3.400     2.600 peak   455 spectrum    1 weight  0.10000E+01 volume  0.19706E-02 ppm1      0.679 ppm2      4.925 CV     1
 ASSI {  456}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 48   and name HB1 ))
      3.400     3.400     2.600 peak   456 spectrum    1 weight  0.10000E+01 volume  0.19597E-02 ppm1      2.609 ppm2      1.913 CV     1
 ASSI {  465}
   (  segid "    " and resid 75   and name HG2%)
   (  segid "    " and resid 109  and name HB% )
      2.900     1.000     1.000 peak   465 spectrum    1 weight  0.10000E+01 volume  0.19049E-02 ppm1      0.597 ppm2      1.311 CV     1
 ASSI {  481}
   (( segid "    " and resid 104  and name HB  ))
   (( segid "    " and resid 104  and name HA  ))
      2.900     1.100     1.100 peak   481 spectrum    1 weight  0.10000E+01 volume  0.18174E-02 ppm1      3.277 ppm2      5.343 CV     1
 ASSI {  484}
   (( segid "    " and resid 108  and name HB2 ))
   (( segid "    " and resid 108  and name HN  ))
      2.900     1.000     1.000 peak   484 spectrum    1 weight  0.10000E+01 volume  0.18064E-02 ppm1      1.274 ppm2      9.169 CV     1
 ASSI {  486}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 91   and name HD1 ))
      3.400     1.500     1.500 peak   486 spectrum    1 weight  0.10000E+01 volume  0.17954E-02 ppm1      4.328 ppm2      2.600 CV     1
 ASSI {  488}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 102  and name HA  ))
      3.600     3.600     2.400 peak   488 spectrum    1 weight  0.10000E+01 volume  0.17736E-02 ppm1      3.115 ppm2      5.348 CV     1
 ASSI {  491}
   (( segid "    " and resid 99  and name HA  ))
   (( segid "    " and resid 99  and name HB2 ))
      3.000     1.100     1.100 peak   491 spectrum    1 weight  0.10000E+01 volume  0.17626E-02 ppm1      4.574 ppm2      2.501 CV     1
 ASSI {  498}
   (( segid "    " and resid 104  and name HB  ))
   (( segid "    " and resid 104  and name HN  ))
      2.800     1.000     1.000 peak   498 spectrum    1 weight  0.10000E+01 volume  0.17188E-02 ppm1      3.278 ppm2      7.571 CV     1
 ASSI {  501}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 50   and name HA  ))
      3.500     3.500     2.500 peak   501 spectrum    1 weight  0.10000E+01 volume  0.17079E-02 ppm1      4.080 ppm2      4.485 CV     1
 ASSI {  502}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 71   and name HG1 ))
      2.400     0.700     0.700 peak   502 spectrum    1 weight  0.10000E+01 volume  0.16969E-02 ppm1      3.886 ppm2      2.522 CV     1
 ASSI {  506}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 53   and name HG1%)
      3.200     1.300     1.300 peak   506 spectrum    1 weight  0.10000E+01 volume  0.16859E-02 ppm1      3.572 ppm2      1.330 CV     1
 ASSI {  507}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HA  ))
      2.500     0.800     0.800 peak   507 spectrum    1 weight  0.10000E+01 volume  0.16750E-02 ppm1      1.339 ppm2      4.899 CV     1
 ASSI {  508}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 26   and name HD1%)
      2.700     0.900     0.900 peak   508 spectrum    1 weight  0.10000E+01 volume  0.16750E-02 ppm1      3.924 ppm2     -0.640 CV     1
 ASSI {  509}
   (  segid "    " and resid 24   and name HD1%)
   (( segid "    " and resid 73   and name HB1 ))
      3.700     1.700     1.700 peak   509 spectrum    1 weight  0.10000E+01 volume  0.16750E-02 ppm1      0.610 ppm2      2.794 CV     1
 ASSI {  510}
   (  segid "    " and resid 50   and name HE% )
   (( segid "    " and resid 50   and name HA  ))
      3.700     1.700     1.700 peak   510 spectrum    1 weight  0.10000E+01 volume  0.16750E-02 ppm1      2.020 ppm2      4.474 CV     1
 ASSI {  513}
   (( segid "    " and resid 108  and name HG1 ))
   (( segid "    " and resid 108  and name HN  ))
      3.600     1.700     1.700 peak   513 spectrum    1 weight  0.10000E+01 volume  0.16750E-02 ppm1      1.243 ppm2      9.141 CV     1
 ASSI {  522}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 66   and name HA2 ))
      3.500     1.500     1.500 peak   522 spectrum    1 weight  0.10000E+01 volume  0.15875E-02 ppm1      4.433 ppm2      3.765 CV     1
 ASSI {  526}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 36   and name HH2 ))
      3.200     1.300     1.300 peak   526 spectrum    1 weight  0.10000E+01 volume  0.15765E-02 ppm1      2.934 ppm2      6.752 CV     1
 ASSI {  530}
   (  segid "    " and resid 50   and name HE% )
   (( segid "    " and resid 77   and name HA  ))
      3.300     1.400     1.400 peak   530 spectrum    1 weight  0.10000E+01 volume  0.15437E-02 ppm1      2.021 ppm2      3.801 CV     1
 ASSI {  531}
   (( segid "    " and resid 69   and name HA2 ))
   (( segid "    " and resid 60   and name HG1 ))
      3.100     1.200     1.200 peak   531 spectrum    1 weight  0.10000E+01 volume  0.15437E-02 ppm1      4.237 ppm2      1.981 CV     1
 ASSI {  533}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB2 ))
      3.300     1.300     1.300 peak   533 spectrum    1 weight  0.10000E+01 volume  0.15327E-02 ppm1      3.844 ppm2      0.751 CV     1
 ASSI {  536}
   (( segid "    " and resid 91   and name HB2 ))
   (( segid "    " and resid 91   and name HD1 ))
      2.900     1.100     1.100 peak   536 spectrum    1 weight  0.10000E+01 volume  0.15327E-02 ppm1      0.039 ppm2      2.596 CV     1
 ASSI {  542}
   (  segid "    " and resid 16   and name HG1%)
   (( segid "    " and resid 15   and name HA  ))
      3.300     1.400     1.400 peak   542 spectrum    1 weight  0.10000E+01 volume  0.15108E-02 ppm1      0.520 ppm2      4.991 CV     1
 ASSI {  544}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 107  and name HB1 ))
      3.300     3.300     2.700 peak   544 spectrum    1 weight  0.10000E+01 volume  0.15108E-02 ppm1      1.545 ppm2      1.937 CV     1
 ASSI {  546}
   (  segid "    " and resid 16   and name HG1%)
   (( segid "    " and resid 108  and name HN  ))
      3.100     1.200     1.200 peak   546 spectrum    1 weight  0.10000E+01 volume  0.14998E-02 ppm1      0.519 ppm2      9.163 CV     1
 ASSI {  547}
   (( segid "    " and resid 87   and name HB1 ))
   (( segid "    " and resid 88   and name HN  ))
      3.200     1.300     1.300 peak   547 spectrum    1 weight  0.10000E+01 volume  0.14889E-02 ppm1      1.502 ppm2      9.355 CV     1
 ASSI {  548}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 36   and name HE1 ))
      2.800     1.000     1.000 peak   548 spectrum    1 weight  0.10000E+01 volume  0.14780E-02 ppm1      0.530 ppm2     10.286 CV     1
 ASSI {  549}
   (  segid "    " and resid 24   and name HD1%)
   (  segid "    " and resid 87   and name HD1%)
      3.900     1.900     1.900 peak   549 spectrum    1 weight  0.10000E+01 volume  0.14780E-02 ppm1      0.611 ppm2     -0.471 CV     1
 ASSI {  550}
   (( segid "    " and resid 30   and name HD2 ))
   (  segid "    " and resid 31   and name HG2%)
      2.000     2.000     4.000 peak   550 spectrum    1 weight  0.10000E+01 volume  0.14670E-02 ppm1      3.603 ppm2      1.335 CV     1
 ASSI {  551}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 24   and name HA  ))
      3.300     3.300     2.700 peak   551 spectrum    1 weight  0.10000E+01 volume  0.14670E-02 ppm1      3.013 ppm2      4.475 CV     1
 ASSI {  553}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 91   and name HB1 ))
      2.700     0.900     0.900 peak   553 spectrum    1 weight  0.10000E+01 volume  0.14560E-02 ppm1      4.329 ppm2      0.776 CV     1
 ASSI {  554}
   (  segid "    " and resid 67   and name HB% )
   (( segid "    " and resid 60   and name HG2 ))
      3.700     1.700     1.700 peak   554 spectrum    1 weight  0.10000E+01 volume  0.14560E-02 ppm1      1.427 ppm2      1.851 CV     1
 ASSI {  557}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 26   and name HA  ))
      2.900     1.000     1.000 peak   557 spectrum    1 weight  0.10000E+01 volume  0.14451E-02 ppm1     -1.271 ppm2      4.767 CV     1
 ASSI {  564}
   (( segid "    " and resid 107  and name HB1 ))
   (( segid "    " and resid 107  and name HN  ))
      3.200     1.300     1.300 peak   564 spectrum    1 weight  0.10000E+01 volume  0.14013E-02 ppm1      1.925 ppm2      9.209 CV     1
 ASSI {  569}
   (  segid "    " and resid 104  and name HG2%)
   (( segid "    " and resid 106  and name HN  ))
      3.200     1.300     1.300 peak   569 spectrum    1 weight  0.10000E+01 volume  0.13794E-02 ppm1      0.436 ppm2      8.635 CV     1
 ASSI {  573}
   (( segid "    " and resid 2    and name HB1 ))
   (  segid "    " and resid 17   and name HB% )
      3.200     1.300     1.300 peak   573 spectrum    1 weight  0.10000E+01 volume  0.13465E-02 ppm1      3.705 ppm2      1.310 CV     1
 ASSI {  582}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 74   and name HA  ))
      3.400     1.500     1.500 peak   582 spectrum    1 weight  0.10000E+01 volume  0.12918E-02 ppm1      0.655 ppm2      5.333 CV     1
 ASSI {  583}
   (( segid "    " and resid 4    and name HD1 ))
   (( segid "    " and resid 4    and name HA  ))
      3.900     1.900     1.900 peak   583 spectrum    1 weight  0.10000E+01 volume  0.12918E-02 ppm1      1.486 ppm2      4.886 CV     1
 ASSI {  586}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 74   and name HB2 ))
      3.700     1.700     1.700 peak   586 spectrum    1 weight  0.10000E+01 volume  0.12809E-02 ppm1      0.653 ppm2      3.007 CV     1
 ASSI {  590}
   (( segid "    " and resid 27   and name HG1 ))
   (( segid "    " and resid 27   and name HA  ))
      3.800     1.800     1.800 peak   590 spectrum    1 weight  0.10000E+01 volume  0.12590E-02 ppm1      2.188 ppm2      4.813 CV     1
 ASSI {  591}
   (( segid "    " and resid 107  and name HB1 ))
   (( segid "    " and resid 107  and name HA  ))
      3.000     1.100     1.100 peak   591 spectrum    1 weight  0.10000E+01 volume  0.12590E-02 ppm1      1.925 ppm2      4.977 CV     1
 ASSI {  592}
   (( segid "    " and resid 21   and name HB1 ))
   (( segid "    " and resid 1    and name HB1 ))
      3.300     1.300     1.300 peak   592 spectrum    1 weight  0.10000E+01 volume  0.12590E-02 ppm1      1.624 ppm2      3.722 CV     1
 ASSI {  594}
   (  segid "    " and resid 88   and name HG2%)
   (( segid "    " and resid 88   and name HN  ))
      3.700     1.800     1.800 peak   594 spectrum    1 weight  0.10000E+01 volume  0.12590E-02 ppm1      1.100 ppm2      9.364 CV     1
 ASSI {  596}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HD1 ))
      3.600     1.700     1.700 peak   596 spectrum    1 weight  0.10000E+01 volume  0.12590E-02 ppm1      5.112 ppm2      1.660 CV     1
 ASSI {  597}
   (( segid "    " and resid 93   and name HB2 ))
   (( segid "    " and resid 93   and name HE3 ))
      4.200     2.200     1.800 peak   597 spectrum    1 weight  0.10000E+01 volume  0.12481E-02 ppm1      3.231 ppm2      7.576 CV     1
 ASSI {  598}
   (  segid "    " and resid 87   and name HD1%)
   (( segid "    " and resid 87   and name HA  ))
      3.900     1.900     1.900 peak   598 spectrum    1 weight  0.10000E+01 volume  0.12481E-02 ppm1     -0.459 ppm2      4.889 CV     1
 ASSI {  601}
   (( segid "    " and resid 91   and name HB2 ))
   (( segid "    " and resid 91   and name HA  ))
      2.900     1.100     1.100 peak   601 spectrum    1 weight  0.10000E+01 volume  0.12371E-02 ppm1      0.040 ppm2      4.325 CV     1
 ASSI {  603}
   (( segid "    " and resid 108  and name HG1 ))
   (( segid "    " and resid 83   and name HB2 ))
      3.900     3.900     2.100 peak   603 spectrum    1 weight  0.10000E+01 volume  0.12261E-02 ppm1      1.253 ppm2      2.805 CV     1
 ASSI {  608}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 87   and name HN  ))
      2.900     1.000     1.000 peak   608 spectrum    1 weight  0.10000E+01 volume  0.12043E-02 ppm1      1.248 ppm2      9.373 CV     1
 ASSI {  609}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 87   and name HA  ))
      3.300     1.400     1.400 peak   609 spectrum    1 weight  0.10000E+01 volume  0.12043E-02 ppm1      1.248 ppm2      4.902 CV     1
 ASSI {  615}
   (( segid "    " and resid 1    and name HA  ))
   (  segid "    " and resid 21   and name HD1%)
      3.900     1.900     1.900 peak   615 spectrum    1 weight  0.10000E+01 volume  0.11933E-02 ppm1      4.491 ppm2      0.671 CV     1
 ASSI {  617}
   (( segid "    " and resid 48   and name HB1 ))
   (  segid "    " and resid 52   and name HG2%)
      3.700     3.700     2.300 peak   617 spectrum    1 weight  0.10000E+01 volume  0.11824E-02 ppm1      1.954 ppm2      1.262 CV     1
 ASSI {  619}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 108  and name HN  ))
      3.900     1.900     1.900 peak   619 spectrum    1 weight  0.10000E+01 volume  0.11824E-02 ppm1      4.920 ppm2      9.113 CV     1
 ASSI {  621}
   (( segid "    " and resid 41   and name HA2 ))
   (  segid "    " and resid 90   and name HE% )
      4.100     2.100     1.900 peak   621 spectrum    1 weight  0.10000E+01 volume  0.11714E-02 ppm1      3.164 ppm2      1.813 CV     1
 ASSI {  622}
   (( segid "    " and resid 106  and name HB1 ))
   (( segid "    " and resid 106  and name HN  ))
      3.800     1.800     1.800 peak   622 spectrum    1 weight  0.10000E+01 volume  0.11714E-02 ppm1      3.159 ppm2      8.666 CV     1
 ASSI {  623}
   (( segid "    " and resid 107  and name HB2 ))
   (( segid "    " and resid 107  and name HN  ))
      3.100     1.200     1.200 peak   623 spectrum    1 weight  0.10000E+01 volume  0.11714E-02 ppm1      1.015 ppm2      9.201 CV     1
 ASSI {  626}
   (( segid "    " and resid 87   and name HB1 ))
   (( segid "    " and resid 87   and name HG  ))
      3.200     1.300     1.300 peak   626 spectrum    1 weight  0.10000E+01 volume  0.11605E-02 ppm1      1.499 ppm2      0.644 CV     1
 ASSI {  628}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 103  and name HB1 ))
      3.300     1.400     1.400 peak   628 spectrum    1 weight  0.10000E+01 volume  0.11386E-02 ppm1     -0.641 ppm2      2.592 CV     1
 ASSI {  631}
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 24   and name HA  ))
      3.000     1.100     1.100 peak   631 spectrum    1 weight  0.10000E+01 volume  0.11386E-02 ppm1      1.777 ppm2      4.455 CV     1
 ASSI {  635}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 78   and name HE1 ))
      3.700     1.700     1.700 peak   635 spectrum    1 weight  0.10000E+01 volume  0.11166E-02 ppm1      1.354 ppm2      2.863 CV     1
 ASSI {  636}
   (( segid "    " and resid 16   and name HB  ))
   (( segid "    " and resid 16   and name HN  ))
      3.500     1.600     1.600 peak   636 spectrum    1 weight  0.10000E+01 volume  0.11166E-02 ppm1      2.043 ppm2      8.666 CV     1
 ASSI {  637}
   (( segid "    " and resid 102  and name HD1 ))
   (( segid "    " and resid 102  and name HA  ))
      4.000     2.000     2.000 peak   637 spectrum    1 weight  0.10000E+01 volume  0.11166E-02 ppm1      3.146 ppm2      5.323 CV     1
 ASSI {  638}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 36   and name HE1 ))
      3.000     1.100     1.100 peak   638 spectrum    1 weight  0.10000E+01 volume  0.11166E-02 ppm1      4.783 ppm2     10.278 CV     1
 ASSI {  639}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 22   and name HN  ))
      3.200     1.300     1.300 peak   639 spectrum    1 weight  0.10000E+01 volume  0.11166E-02 ppm1      0.599 ppm2      9.359 CV     1
 ASSI {  641}
   (( segid "    " and resid 42   and name HB  ))
   (( segid "    " and resid 39   and name HG1 ))
      3.300     1.400     1.400 peak   641 spectrum    1 weight  0.10000E+01 volume  0.11057E-02 ppm1      4.405 ppm2      2.313 CV     1
 ASSI {  646}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 21   and name HB1 ))
      3.600     3.600     2.400 peak   646 spectrum    1 weight  0.10000E+01 volume  0.10904E-02 ppm1      4.644 ppm2      1.573 CV     1
 ASSI {  649}
   (( segid "    " and resid 102  and name HB2 ))
   (( segid "    " and resid 102  and name HA  ))
      2.900     1.000     1.000 peak   649 spectrum    1 weight  0.10000E+01 volume  0.10674E-02 ppm1      1.688 ppm2      5.340 CV     1
 ASSI {  650}
   (( segid "    " and resid 106  and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
      3.900     1.900     1.900 peak   650 spectrum    1 weight  0.10000E+01 volume  0.10630E-02 ppm1      2.408 ppm2      9.232 CV     1
 ASSI {  657}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 48   and name HB1 ))
      3.900     1.900     1.900 peak   657 spectrum    1 weight  0.10000E+01 volume  0.10422E-02 ppm1      4.443 ppm2      1.930 CV     1
 ASSI {  663}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 56   and name HD1 ))
      3.700     1.700     1.700 peak   663 spectrum    1 weight  0.10000E+01 volume  0.10236E-02 ppm1      5.586 ppm2      1.434 CV     1
 ASSI {  666}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 10   and name HA  ))
      3.500     1.600     1.600 peak   666 spectrum    1 weight  0.10000E+01 volume  0.10192E-02 ppm1      1.544 ppm2      3.999 CV     1
 ASSI {  667}
   (( segid "    " and resid 27   and name HD1 ))
   (( segid "    " and resid 26   and name HB2 ))
      4.300     2.300     1.700 peak   667 spectrum    1 weight  0.10000E+01 volume  0.10182E-02 ppm1      4.035 ppm2      0.431 CV     1
 ASSI {  668}
   (( segid "    " and resid 41   and name HA1 ))
   (( segid "    " and resid 37   and name HB2 ))
      4.600     2.700     1.400 peak   668 spectrum    1 weight  0.10000E+01 volume  0.10182E-02 ppm1      3.907 ppm2      2.538 CV     1
 ASSI {  670}
   (( segid "    " and resid 37   and name HB1 ))
   (  segid "    " and resid 90   and name HE% )
      4.300     2.300     1.700 peak   670 spectrum    1 weight  0.10000E+01 volume  0.10094E-02 ppm1      3.453 ppm2      1.818 CV     1
 ASSI {  679}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
      3.200     1.300     1.300 peak   679 spectrum    1 weight  0.10000E+01 volume  0.99296E-03 ppm1      5.360 ppm2      8.676 CV     1
 ASSI {  681}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 90   and name HB1 ))
      4.000     2.000     2.000 peak   681 spectrum    1 weight  0.10000E+01 volume  0.98968E-03 ppm1      3.576 ppm2      1.744 CV     1
 ASSI {  683}
   (( segid "    " and resid 105  and name HA  ))
   (  segid "    " and resid 106  and name HD% )
      3.500     1.600     1.600 peak   683 spectrum    1 weight  0.10000E+01 volume  0.98753E-03 ppm1      4.311 ppm2      6.688 CV     1
 ASSI {  684}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 9   and name HD2 ))
      2.000     2.000     4.000 peak   684 spectrum    1 weight  0.10000E+01 volume  0.98641E-03 ppm1      0.581 ppm2      6.985 CV     1
 ASSI {  685}
   (  segid "    " and resid 67   and name HB% )
   (  segid "    " and resid 70   and name HG2%)
      3.500     3.500     2.500 peak   685 spectrum    1 weight  0.10000E+01 volume  0.98529E-03 ppm1      1.422 ppm2      0.956 CV     1
 ASSI {  687}
   (  segid "    " and resid 87   and name HD1%)
   (( segid "    " and resid 87   and name HN  ))
      3.800     1.800     1.800 peak   687 spectrum    1 weight  0.10000E+01 volume  0.98202E-03 ppm1     -0.458 ppm2      9.348 CV     1
 ASSI {  689}
   (( segid "    " and resid 106  and name HB1 ))
   (( segid "    " and resid 14   and name HN  ))
      4.000     2.000     2.000 peak   689 spectrum    1 weight  0.10000E+01 volume  0.96670E-03 ppm1      3.156 ppm2      9.242 CV     1
 ASSI {  691}
   (( segid "    " and resid 85   and name HA  ))
   (  segid "    " and resid 84   and name HB% )
      3.600     1.600     1.600 peak   691 spectrum    1 weight  0.10000E+01 volume  0.95577E-03 ppm1      3.999 ppm2      1.362 CV     1
 ASSI {  695}
   (( segid "    " and resid 46   and name HD2 ))
   (( segid "    " and resid 48   and name HB1 ))
      3.300     3.300     2.700 peak   695 spectrum    1 weight  0.10000E+01 volume  0.94699E-03 ppm1      2.667 ppm2      1.935 CV     1
 ASSI {  696}
   (( segid "    " and resid 103  and name HB2 ))
   (( segid "    " and resid 87   and name HB1 ))
      4.500     2.500     1.500 peak   696 spectrum    1 weight  0.10000E+01 volume  0.94372E-03 ppm1      2.257 ppm2      1.496 CV     1
 ASSI {  699}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 72   and name HB2 ))
      3.600     1.700     1.700 peak   699 spectrum    1 weight  0.10000E+01 volume  0.93382E-03 ppm1      5.582 ppm2      2.631 CV     1
 ASSI {  700}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 73   and name HB1 ))
      4.000     2.000     2.000 peak   700 spectrum    1 weight  0.10000E+01 volume  0.93055E-03 ppm1      0.134 ppm2      2.792 CV     1
 ASSI {  703}
   (( segid "    " and resid 42   and name HB  ))
   (( segid "    " and resid 43   and name HB2 ))
      3.800     1.800     1.800 peak   703 spectrum    1 weight  0.10000E+01 volume  0.92289E-03 ppm1      4.405 ppm2      1.874 CV     1
 ASSI {  707}
   (( segid "    " and resid 24   and name HB  ))
   (  segid "    " and resid 73   and name HD% )
      4.100     2.100     1.900 peak   707 spectrum    1 weight  0.10000E+01 volume  0.91850E-03 ppm1      1.772 ppm2      6.890 CV     1
 ASSI {  712}
   (( segid "    " and resid 27   and name HB1 ))
   (  segid "    " and resid 65   and name HD2%)
      3.600     1.700     1.700 peak   712 spectrum    1 weight  0.10000E+01 volume  0.89879E-03 ppm1      2.393 ppm2      0.906 CV     1
 ASSI {  714}
   (  segid "    " and resid 8    and name HB% )
   (  segid "    " and resid 105  and name HG2%)
      4.500     2.500     1.500 peak   714 spectrum    1 weight  0.10000E+01 volume  0.89225E-03 ppm1      1.084 ppm2      0.673 CV     1
 ASSI {  715}
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 23   and name HA  ))
      3.800     1.900     1.900 peak   715 spectrum    1 weight  0.10000E+01 volume  0.88459E-03 ppm1      1.776 ppm2      4.956 CV     1
 ASSI {  716}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HD1 ))
      3.600     1.600     1.600 peak   716 spectrum    1 weight  0.10000E+01 volume  0.88132E-03 ppm1      4.325 ppm2      3.198 CV     1
 ASSI {  722}
   (( segid "    " and resid 23   and name HG1 ))
   (( segid "    " and resid 23   and name HA  ))
      3.300     1.400     1.400 peak   722 spectrum    1 weight  0.10000E+01 volume  0.86927E-03 ppm1      1.818 ppm2      4.911 CV     1
 ASSI {  728}
   (( segid "    " and resid 90   and name HG1 ))
   (( segid "    " and resid 100  and name HB2 ))
      4.000     2.000     2.000 peak   728 spectrum    1 weight  0.10000E+01 volume  0.85502E-03 ppm1      2.517 ppm2      3.705 CV     1
 ASSI {  730}
   (( segid "    " and resid 95   and name HA2 ))
   (( segid "    " and resid 96   and name HG1 ))
      4.200     2.200     1.800 peak   730 spectrum    1 weight  0.10000E+01 volume  0.85393E-03 ppm1      3.776 ppm2      1.964 CV     1
 ASSI {  731}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HZ  ))
      4.000     2.000     2.000 peak   731 spectrum    1 weight  0.10000E+01 volume  0.85393E-03 ppm1      5.085 ppm2      7.304 CV     1
 ASSI {  732}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 26   and name HA  ))
      3.500     1.500     1.500 peak   732 spectrum    1 weight  0.10000E+01 volume  0.85174E-03 ppm1      3.919 ppm2      4.767 CV     1
 ASSI {  733}
   (  segid "    " and resid 64   and name HD1%)
   (( segid "    " and resid 61   and name HB1 ))
      3.800     1.800     1.800 peak   733 spectrum    1 weight  0.10000E+01 volume  0.84627E-03 ppm1      0.905 ppm2      2.611 CV     1
 ASSI {  735}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 36   and name HA  ))
      2.900     1.100     1.100 peak   735 spectrum    1 weight  0.10000E+01 volume  0.83203E-03 ppm1      3.128 ppm2      5.010 CV     1
 ASSI {  737}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 6    and name HA  ))
      3.600     1.700     1.700 peak   737 spectrum    1 weight  0.10000E+01 volume  0.82766E-03 ppm1     -0.641 ppm2      5.157 CV     1
 ASSI {  738}
   (( segid "    " and resid 30   and name HD1 ))
   (( segid "    " and resid 30   and name HB2 ))
      4.100     2.100     1.900 peak   738 spectrum    1 weight  0.10000E+01 volume  0.82656E-03 ppm1      3.913 ppm2      1.818 CV     1
 ASSI {  739}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 7    and name HG1 ))
      4.000     2.000     2.000 peak   739 spectrum    1 weight  0.10000E+01 volume  0.81890E-03 ppm1      1.084 ppm2      1.506 CV     1
 ASSI {  740}
   (( segid "    " and resid 107  and name HB2 ))
   (  segid "    " and resid 12   and name HB% )
      3.800     1.800     1.800 peak   740 spectrum    1 weight  0.10000E+01 volume  0.20582E-04 ppm1      1.014 ppm2      1.532 CV     1
 ASSI {  749}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 61   and name HB1 ))
      3.400     1.400     1.400 peak   749 spectrum    1 weight  0.10000E+01 volume  0.79481E-03 ppm1      1.566 ppm2      2.652 CV     1
 ASSI {  754}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 104  and name HA  ))
      3.800     1.800     1.800 peak   754 spectrum    1 weight  0.10000E+01 volume  0.77730E-03 ppm1      4.312 ppm2      5.297 CV     1
 ASSI {  766}
   (( segid "    " and resid 41   and name HA1 ))
   (  segid "    " and resid 90   and name HE% )
      4.300     2.300     1.700 peak   766 spectrum    1 weight  0.10000E+01 volume  0.75212E-03 ppm1      3.908 ppm2      1.813 CV     1
 ASSI {  768}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 90   and name HN  ))
      3.900     1.900     1.900 peak   768 spectrum    1 weight  0.10000E+01 volume  0.74774E-03 ppm1      4.122 ppm2      8.976 CV     1
 ASSI {  770}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 1    and name HB1 ))
      4.200     2.200     1.800 peak   770 spectrum    1 weight  0.10000E+01 volume  0.74007E-03 ppm1      1.511 ppm2      3.721 CV     1
 ASSI {  773}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 46   and name HG1 ))
      4.500     2.500     1.500 peak   773 spectrum    1 weight  0.10000E+01 volume  0.73022E-03 ppm1      3.571 ppm2      1.952 CV     1
 ASSI {  781}
   (( segid "    " and resid 48   and name HB1 ))
   (( segid "    " and resid 52   and name HA  ))
      3.500     1.500     1.500 peak   781 spectrum    1 weight  0.10000E+01 volume  0.71161E-03 ppm1      1.954 ppm2      4.830 CV     1
 ASSI {  783}
   (( segid "    " and resid 88   and name HA  ))
   (  segid "    " and resid 88   and name HG2%)
      3.200     1.300     1.300 peak   783 spectrum    1 weight  0.10000E+01 volume  0.69738E-03 ppm1      5.161 ppm2      1.054 CV     1
 ASSI {  785}
   (( segid "    " and resid 83   and name HB1 ))
   (( segid "    " and resid 107  and name HN  ))
      3.300     1.400     1.400 peak   785 spectrum    1 weight  0.10000E+01 volume  0.69519E-03 ppm1      2.914 ppm2      9.187 CV     1
 ASSI {  787}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 13   and name HA  ))
      4.000     2.000     2.000 peak   787 spectrum    1 weight  0.10000E+01 volume  0.69409E-03 ppm1      0.584 ppm2      5.338 CV     1
 ASSI {  789}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 50   and name HB1 ))
      3.900     1.900     1.900 peak   789 spectrum    1 weight  0.10000E+01 volume  0.68752E-03 ppm1      4.125 ppm2      1.908 CV     1
 ASSI {  790}
   (( segid "    " and resid 92   and name HB2 ))
   (( segid "    " and resid 93   and name HB2 ))
      4.100     2.100     1.900 peak   790 spectrum    1 weight  0.10000E+01 volume  0.68533E-03 ppm1      1.352 ppm2      3.196 CV     1
 ASSI {  791}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 51   and name HB1 ))
      3.400     1.400     1.400 peak   791 spectrum    1 weight  0.10000E+01 volume  0.68315E-03 ppm1      4.041 ppm2      2.866 CV     1
 ASSI {  792}
   (  segid "    " and resid 18   and name HG1%)
   (( segid "    " and resid 19   and name HA2 ))
      4.800     2.900     1.200 peak   792 spectrum    1 weight  0.10000E+01 volume  0.67657E-03 ppm1      0.754 ppm2      3.573 CV     1
 ASSI {  796}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 66   and name HA2 ))
      3.900     1.900     1.900 peak   796 spectrum    1 weight  0.10000E+01 volume  0.66782E-03 ppm1      1.569 ppm2      3.785 CV     1
 ASSI {  799}
   (( segid "    " and resid 27   and name HG1 ))
   (  segid "    " and resid 70   and name HG2%)
      4.400     2.400     1.600 peak   799 spectrum    1 weight  0.10000E+01 volume  0.66563E-03 ppm1      2.185 ppm2      0.990 CV     1
 ASSI {  804}
   (( segid "    " and resid 87   and name HB1 ))
   (( segid "    " and resid 36   and name HZ3 ))
      4.500     2.500     1.500 peak   804 spectrum    1 weight  0.10000E+01 volume  0.64592E-03 ppm1      1.500 ppm2      6.752 CV     1
 ASSI {  808}
   (( segid "    " and resid 21   and name HG  ))
   (( segid "    " and resid 74   and name HB2 ))
      4.400     2.400     1.600 peak   808 spectrum    1 weight  0.10000E+01 volume  0.63826E-03 ppm1      1.315 ppm2      2.992 CV     1
 ASSI {  810}
   (( segid "    " and resid 73   and name HB2 ))
   (  segid "    " and resid 24   and name HG2%)
      3.200     1.300     1.300 peak   810 spectrum    1 weight  0.10000E+01 volume  0.63497E-03 ppm1      2.601 ppm2      0.155 CV     1
 ASSI {  814}
   (  segid "    " and resid 104  and name HG2%)
   (( segid "    " and resid 86   and name HB1 ))
      3.600     1.600     1.600 peak   814 spectrum    1 weight  0.10000E+01 volume  0.62622E-03 ppm1      0.438 ppm2      2.715 CV     1
 ASSI {  816}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 107  and name HN  ))
      4.300     2.300     1.700 peak   816 spectrum    1 weight  0.10000E+01 volume  0.62402E-03 ppm1      2.804 ppm2      9.181 CV     1
 ASSI {  817}
   (( segid "    " and resid 91   and name HG1 ))
   (( segid "    " and resid 92   and name HG2 ))
      6.000     6.000     0.000 peak   817 spectrum    1 weight  0.10000E+01 volume  0.27370E-04 ppm1      0.379 ppm2      1.613 CV     1
 ASSI {  821}
   (  segid "    " and resid 90   and name HE% )
   (( segid "    " and resid 37   and name HA  ))
      2.200     2.200     3.800 peak   821 spectrum    1 weight  0.10000E+01 volume  0.61307E-03 ppm1      1.839 ppm2      4.807 CV     1
 ASSI {  822}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 56   and name HE1 ))
      4.000     2.000     2.000 peak   822 spectrum    1 weight  0.10000E+01 volume  0.61307E-03 ppm1      1.476 ppm2      2.641 CV     1
 ASSI {  824}
   (( segid "    " and resid 56   and name HD1 ))
   (( segid "    " and resid 74   and name HA  ))
      4.100     2.100     1.900 peak   824 spectrum    1 weight  0.10000E+01 volume  0.60870E-03 ppm1      1.485 ppm2      5.333 CV     1
 ASSI {  827}
   (  segid "    " and resid 16   and name HG2%)
   (( segid "    " and resid 107  and name HN  ))
      4.100     2.100     1.900 peak   827 spectrum    1 weight  0.10000E+01 volume  0.59337E-03 ppm1      0.270 ppm2      9.217 CV     1
 ASSI {  830}
   (( segid "    " and resid 21   and name HG  ))
   (( segid "    " and resid 1    and name HA  ))
      3.900     1.900     1.900 peak   830 spectrum    1 weight  0.10000E+01 volume  0.58899E-03 ppm1      1.325 ppm2      4.472 CV     1
 ASSI {  831}
   (( segid "    " and resid 32   and name HB  ))
   (  segid "    " and resid 34   and name HE% )
      4.000     2.000     2.000 peak   831 spectrum    1 weight  0.10000E+01 volume  0.58790E-03 ppm1      4.586 ppm2      7.117 CV     1
 ASSI {  834}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 6    and name HG2%)
      4.600     2.600     1.400 peak   834 spectrum    1 weight  0.10000E+01 volume  0.58024E-03 ppm1     -0.641 ppm2      1.097 CV     1
 ASSI {  837}
   (( segid "    " and resid 87   and name HB1 ))
   (( segid "    " and resid 87   and name HA  ))
      3.200     1.300     1.300 peak   837 spectrum    1 weight  0.10000E+01 volume  0.57147E-03 ppm1      1.504 ppm2      4.899 CV     1
 ASSI {  838}
   (  segid "    " and resid 87   and name HD2%)
   (( segid "    " and resid 38   and name HB1 ))
      4.200     2.300     1.800 peak   838 spectrum    1 weight  0.10000E+01 volume  0.56929E-03 ppm1     -0.807 ppm2      3.489 CV     1
 ASSI {  839}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 27   and name HB1 ))
      4.700     2.700     1.300 peak   839 spectrum    1 weight  0.10000E+01 volume  0.56709E-03 ppm1      5.089 ppm2      2.408 CV     1
 ASSI {  840}
   (  segid "    " and resid 90   and name HE% )
   (( segid "    " and resid 37   and name HN  ))
      2.200     2.200     3.800 peak   840 spectrum    1 weight  0.10000E+01 volume  0.56600E-03 ppm1      1.840 ppm2      9.072 CV     1
 ASSI {  841}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 53   and name HB  ))
      4.000     2.000     2.000 peak   841 spectrum    1 weight  0.10000E+01 volume  0.56600E-03 ppm1      4.823 ppm2      2.212 CV     1
 ASSI {  842}
   (  segid "    " and resid 85   and name HG2%)
   (( segid "    " and resid 73   and name HB1 ))
      4.100     2.100     1.900 peak   842 spectrum    1 weight  0.10000E+01 volume  0.56053E-03 ppm1      0.273 ppm2      2.841 CV     1
 ASSI {  844}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 13   and name HA  ))
      4.200     2.200     1.800 peak   844 spectrum    1 weight  0.10000E+01 volume  0.55615E-03 ppm1      1.301 ppm2      5.328 CV     1
 ASSI {  845}
   (  segid "    " and resid 80   and name HB% )
   (( segid "    " and resid 110  and name HB2 ))
      4.400     2.400     1.600 peak   845 spectrum    1 weight  0.10000E+01 volume  0.55505E-03 ppm1      1.418 ppm2      2.645 CV     1
 ASSI {  848}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 51   and name HB1 ))
      4.200     2.200     1.800 peak   848 spectrum    1 weight  0.10000E+01 volume  0.54739E-03 ppm1      1.251 ppm2      2.865 CV     1
 ASSI {  851}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 25   and name HB1 ))
      3.400     1.500     1.500 peak   851 spectrum    1 weight  0.10000E+01 volume  0.54520E-03 ppm1      5.170 ppm2      1.595 CV     1
 ASSI {  855}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      3.400     1.500     1.500 peak   855 spectrum    1 weight  0.10000E+01 volume  0.53206E-03 ppm1      4.119 ppm2      7.863 CV     1
 ASSI {  857}
   (( segid "    " and resid 26   and name HB1 ))
   (  segid "    " and resid 73   and name HD% )
      4.400     2.500     1.600 peak   857 spectrum    1 weight  0.10000E+01 volume  0.52878E-03 ppm1      0.535 ppm2      6.894 CV     1
 ASSI {  859}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 78   and name HA  ))
      3.500     1.600     1.600 peak   859 spectrum    1 weight  0.10000E+01 volume  0.52331E-03 ppm1      1.352 ppm2      4.474 CV     1
 ASSI {  862}
   (  segid "    " and resid 87   and name HD2%)
   (( segid "    " and resid 104  and name HA  ))
      4.400     2.400     1.600 peak   862 spectrum    1 weight  0.10000E+01 volume  0.51454E-03 ppm1     -0.807 ppm2      5.312 CV     1
 ASSI {  863}
   (( segid "    " and resid 11   and name HA2 ))
   (  segid "    " and resid 104  and name HG2%)
      3.700     1.700     1.700 peak   863 spectrum    1 weight  0.10000E+01 volume  0.51345E-03 ppm1      3.358 ppm2      0.449 CV     1
 ASSI {  864}
   (( segid "    " and resid 92   and name HB2 ))
   (  segid "    " and resid 37   and name HE% )
      5.100     3.200     0.900 peak   864 spectrum    1 weight  0.10000E+01 volume  0.51345E-03 ppm1      1.355 ppm2      6.717 CV     1
 ASSI {  866}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 105  and name HG2%)
      3.900     1.900     1.900 peak   866 spectrum    1 weight  0.10000E+01 volume  0.51236E-03 ppm1      3.996 ppm2      0.709 CV     1
 ASSI {  870}
   (  segid "    " and resid 50   and name HE% )
   (  segid "    " and resid 77   and name HG2%)
      4.200     2.200     1.800 peak   870 spectrum    1 weight  0.10000E+01 volume  0.50141E-03 ppm1      2.019 ppm2      0.866 CV     1
 ASSI {  871}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 72   and name HB1 ))
      4.300     2.300     1.700 peak   871 spectrum    1 weight  0.10000E+01 volume  0.50032E-03 ppm1      1.474 ppm2      3.026 CV     1
 ASSI {  872}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 85   and name HB  ))
      4.700     2.700     1.300 peak   872 spectrum    1 weight  0.10000E+01 volume  0.49922E-03 ppm1      4.507 ppm2      2.045 CV     1
 ASSI {  874}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 6    and name HB  ))
      4.100     2.100     1.900 peak   874 spectrum    1 weight  0.10000E+01 volume  0.49812E-03 ppm1      1.086 ppm2      4.716 CV     1
 ASSI {  876}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 105  and name HN  ))
      4.400     2.400     1.600 peak   876 spectrum    1 weight  0.10000E+01 volume  0.49812E-03 ppm1      5.397 ppm2      7.838 CV     1
 ASSI {  877}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 91   and name HG1 ))
      3.200     1.300     1.300 peak   877 spectrum    1 weight  0.10000E+01 volume  0.49484E-03 ppm1      4.324 ppm2      0.319 CV     1
 ASSI {  885}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 4    and name HA  ))
      4.900     3.000     1.100 peak   885 spectrum    1 weight  0.10000E+01 volume  0.47842E-03 ppm1      0.133 ppm2      4.865 CV     1
 ASSI {  886}
   (( segid "    " and resid 103  and name HB2 ))
   (( segid "    " and resid 104  and name HN  ))
      3.900     2.000     2.000 peak   886 spectrum    1 weight  0.10000E+01 volume  0.47076E-03 ppm1      2.265 ppm2      7.523 CV     1
 ASSI {  887}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 13   and name HA  ))
      4.400     2.400     1.600 peak   887 spectrum    1 weight  0.10000E+01 volume  0.46967E-03 ppm1      1.228 ppm2      5.338 CV     1
 ASSI {  891}
   (( segid "    " and resid 93   and name HB2 ))
   (( segid "    " and resid 93   and name HD1 ))
      3.500     1.600     1.600 peak   891 spectrum    1 weight  0.10000E+01 volume  0.46638E-03 ppm1      3.232 ppm2      7.112 CV     1
 ASSI {  892}
   (( segid "    " and resid 46   and name HD1 ))
   (  segid "    " and resid 53   and name HG1%)
      4.400     2.400     1.600 peak   892 spectrum    1 weight  0.10000E+01 volume  0.46419E-03 ppm1      3.208 ppm2      1.327 CV     1
 ASSI {  894}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 16   and name HN  ))
      4.100     2.100     1.900 peak   894 spectrum    1 weight  0.10000E+01 volume  0.45872E-03 ppm1      0.582 ppm2      8.684 CV     1
 ASSI {  897}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 36   and name HZ3 ))
      5.100     3.300     0.900 peak   897 spectrum    1 weight  0.10000E+01 volume  0.45214E-03 ppm1      5.394 ppm2      6.736 CV     1
 ASSI {  899}
   (( segid "    " and resid 91   and name HB2 ))
   (( segid "    " and resid 96   and name HD1 ))
      3.500     1.500     1.500 peak   899 spectrum    1 weight  0.10000E+01 volume  0.45214E-03 ppm1      0.038 ppm2      3.550 CV     1
 ASSI {  901}
   (( segid "    " and resid 94   and name HB  ))
   (( segid "    " and resid 91   and name HB2 ))
      5.400     3.600     0.600 peak   901 spectrum    1 weight  0.10000E+01 volume  0.44886E-03 ppm1      3.974 ppm2      0.012 CV     1
 ASSI {  903}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 36   and name HD1 ))
      4.500     2.500     1.500 peak   903 spectrum    1 weight  0.10000E+01 volume  0.44777E-03 ppm1      2.342 ppm2      7.398 CV     1
 ASSI {  905}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 24   and name HG2%)
      4.300     2.300     1.700 peak   905 spectrum    1 weight  0.10000E+01 volume  0.44010E-03 ppm1      3.924 ppm2      0.144 CV     1
 ASSI {  907}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HA  ))
      3.200     1.300     1.300 peak   907 spectrum    1 weight  0.10000E+01 volume  0.43901E-03 ppm1      3.886 ppm2      4.799 CV     1
 ASSI {  915}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 105  and name HA  ))
      4.400     2.400     1.600 peak   915 spectrum    1 weight  0.10000E+01 volume  0.41821E-03 ppm1      5.344 ppm2      4.323 CV     1
 ASSI {  916}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 27   and name HD1 ))
      4.600     2.700     1.400 peak   916 spectrum    1 weight  0.10000E+01 volume  0.41602E-03 ppm1     -1.269 ppm2      4.019 CV     1
 ASSI {  923}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 36   and name HZ3 ))
      3.600     1.600     1.600 peak   923 spectrum    1 weight  0.10000E+01 volume  0.39850E-03 ppm1      0.046 ppm2      6.797 CV     1
 ASSI {  928}
   (( segid "    " and resid 13   and name HB  ))
   (( segid "    " and resid 106  and name HB2 ))
      4.600     2.600     1.400 peak   928 spectrum    1 weight  0.10000E+01 volume  0.39193E-03 ppm1      3.872 ppm2      2.414 CV     1
 ASSI {  930}
   (( segid "    " and resid 15   and name HB  ))
   (  segid "    " and resid 16   and name HG2%)
      4.800     2.800     1.200 peak   930 spectrum    1 weight  0.10000E+01 volume  0.38646E-03 ppm1      4.050 ppm2      0.269 CV     1
 ASSI {  938}
   (  segid "    " and resid 24   and name HD1%)
   (  segid "    " and resid 26   and name HD2%)
      4.700     2.800     1.300 peak   938 spectrum    1 weight  0.10000E+01 volume  0.37660E-03 ppm1      0.608 ppm2     -1.271 CV     1
 ASSI {  943}
   (  segid "    " and resid 16   and name HG1%)
   (( segid "    " and resid 3    and name HB2 ))
      3.900     1.900     1.900 peak   943 spectrum    1 weight  0.10000E+01 volume  0.36894E-03 ppm1      0.521 ppm2      2.820 CV     1
 ASSI {  950}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 13   and name HA  ))
      4.100     2.100     1.900 peak   950 spectrum    1 weight  0.10000E+01 volume  0.35909E-03 ppm1      1.542 ppm2      5.349 CV     1
 ASSI {  953}
   (( segid "    " and resid 13   and name HB  ))
   (( segid "    " and resid 14   and name HN  ))
      4.500     2.500     1.500 peak   953 spectrum    1 weight  0.10000E+01 volume  0.35361E-03 ppm1      3.871 ppm2      9.260 CV     1
 ASSI {  954}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 9   and name HE1 ))
      4.300     2.300     1.700 peak   954 spectrum    1 weight  0.10000E+01 volume  0.35143E-03 ppm1      1.085 ppm2      7.727 CV     1
 ASSI {  955}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 27   and name HD1 ))
      4.200     2.200     1.800 peak   955 spectrum    1 weight  0.10000E+01 volume  0.35033E-03 ppm1      0.524 ppm2      4.041 CV     1
 ASSI {  956}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 106  and name HB2 ))
      4.900     3.000     1.100 peak   956 spectrum    1 weight  0.10000E+01 volume  0.34924E-03 ppm1      4.312 ppm2      2.412 CV     1
 ASSI {  961}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 77   and name HA  ))
      4.200     2.200     1.800 peak   961 spectrum    1 weight  0.10000E+01 volume  0.34266E-03 ppm1      4.469 ppm2      3.810 CV     1
 ASSI {  963}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 88   and name HN  ))
      4.100     2.100     1.900 peak   963 spectrum    1 weight  0.10000E+01 volume  0.33829E-03 ppm1      4.900 ppm2      9.398 CV     1
 ASSI {  964}
   (( segid "    " and resid 104  and name HB  ))
   (( segid "    " and resid 11   and name HA1 ))
      2.400     2.400     3.600 peak   964 spectrum    1 weight  0.10000E+01 volume  0.33610E-03 ppm1      3.278 ppm2      4.255 CV     1
 ASSI {  965}
   (( segid "    " and resid 68   and name HA1 ))
   (  segid "    " and resid 67   and name HB% )
      4.400     2.400     1.600 peak   965 spectrum    1 weight  0.10000E+01 volume  0.33500E-03 ppm1      4.014 ppm2      1.414 CV     1
 ASSI {  966}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 38   and name HB1 ))
      4.600     2.600     1.400 peak   966 spectrum    1 weight  0.10000E+01 volume  0.33391E-03 ppm1      5.106 ppm2      3.468 CV     1
 ASSI {  967}
   (( segid "    " and resid 27   and name HG2 ))
   (  segid "    " and resid 26   and name HD1%)
      4.900     3.000     1.100 peak   967 spectrum    1 weight  0.10000E+01 volume  0.33282E-03 ppm1      2.021 ppm2     -0.633 CV     1
 ASSI {  968}
   (( segid "    " and resid 4    and name HG1 ))
   (( segid "    " and resid 4    and name HA  ))
      4.300     2.300     1.700 peak   968 spectrum    1 weight  0.10000E+01 volume  0.33282E-03 ppm1      1.145 ppm2      4.876 CV     1
 ASSI {  969}
   (( segid "    " and resid 46   and name HD2 ))
   (( segid "    " and resid 46   and name HA  ))
      4.300     2.300     1.700 peak   969 spectrum    1 weight  0.10000E+01 volume  0.33062E-03 ppm1      2.669 ppm2      4.322 CV     1
 ASSI {  973}
   (  segid "    " and resid 75   and name HG1%)
   (  segid "    " and resid 87   and name HD1%)
      4.400     2.400     1.600 peak   973 spectrum    1 weight  0.10000E+01 volume  0.32515E-03 ppm1      0.935 ppm2     -0.459 CV     1
 ASSI {  974}
   (  segid "    " and resid 104  and name HG2%)
   (( segid "    " and resid 87   and name HN  ))
      2.400     2.400     3.600 peak   974 spectrum    1 weight  0.10000E+01 volume  0.32405E-03 ppm1      0.438 ppm2      9.303 CV     1
 ASSI {  979}
   (( segid "    " and resid 27   and name HD1 ))
   (( segid "    " and resid 36   and name HZ2 ))
      5.000     3.100     1.000 peak   979 spectrum    1 weight  0.10000E+01 volume  0.31967E-03 ppm1      4.037 ppm2      6.909 CV     1
 ASSI {  980}
   (( segid "    " and resid 91   and name HG2 ))
   (  segid "    " and resid 34   and name HE% )
      4.700     2.700     1.300 peak   980 spectrum    1 weight  0.10000E+01 volume  0.31858E-03 ppm1     -0.142 ppm2      7.147 CV     1
 ASSI {  983}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB2 ))
      3.600     1.600     1.600 peak   983 spectrum    1 weight  0.10000E+01 volume  0.31530E-03 ppm1      4.892 ppm2      3.160 CV     1
 ASSI {  991}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 3    and name HE1 ))
      4.600     2.600     1.400 peak   991 spectrum    1 weight  0.10000E+01 volume  0.30763E-03 ppm1      4.620 ppm2      8.068 CV     1
 ASSI {  994}
   (( segid "    " and resid 102  and name HD1 ))
   (( segid "    " and resid 103  and name HN  ))
      4.900     3.000     1.100 peak   994 spectrum    1 weight  0.10000E+01 volume  0.30435E-03 ppm1      3.145 ppm2      9.250 CV     1
 ASSI {  996}
   (( segid "    " and resid 41   and name HA2 ))
   (  segid "    " and resid 37   and name HD% )
      4.100     2.100     1.900 peak   996 spectrum    1 weight  0.10000E+01 volume  0.30106E-03 ppm1      3.167 ppm2      6.832 CV     1
 ASSI { 1001}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 83   and name HE1 ))
      4.800     2.800     1.200 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.29231E-03 ppm1      4.500 ppm2      7.846 CV     1
 ASSI { 1005}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 87   and name HN  ))
      4.900     3.000     1.100 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.28793E-03 ppm1     -1.271 ppm2      9.296 CV     1
 ASSI { 1012}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 85   and name HG1%)
      4.900     3.000     1.100 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.28245E-03 ppm1      4.887 ppm2      0.595 CV     1
 ASSI { 1013}
   (( segid "    " and resid 34   and name HA  ))
   (  segid "    " and resid 32   and name HG2%)
      5.200     3.400     0.800 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.28245E-03 ppm1      3.839 ppm2      1.306 CV     1
 ASSI { 1014}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 89   and name HB2 ))
      5.200     3.300     0.800 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.27917E-03 ppm1      5.169 ppm2      0.048 CV     1
 ASSI { 1016}
   (( segid "    " and resid 26   and name HG  ))
   (( segid "    " and resid 7    and name HA  ))
      5.100     3.200     0.900 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.27917E-03 ppm1      0.359 ppm2      3.913 CV     1
 ASSI { 1017}
   (( segid "    " and resid 27   and name HG1 ))
   (  segid "    " and resid 26   and name HD1%)
      5.300     3.500     0.700 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.27917E-03 ppm1      2.186 ppm2     -0.647 CV     1
 ASSI { 1018}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 22   and name HA  ))
      4.700     2.700     1.300 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.27807E-03 ppm1      3.198 ppm2      4.420 CV     1
 ASSI { 1028}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 25   and name HB1 ))
      4.700     2.800     1.300 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.27041E-03 ppm1     -1.271 ppm2      1.580 CV     1
 ASSI { 1029}
   (( segid "    " and resid 91   and name HB1 ))
   (( segid "    " and resid 96   and name HD1 ))
      4.700     2.700     1.300 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.27041E-03 ppm1      0.753 ppm2      3.555 CV     1
 ASSI { 1031}
   (  segid "    " and resid 104  and name HG2%)
   (( segid "    " and resid 85   and name HB  ))
      4.600     2.600     1.400 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.26603E-03 ppm1      0.437 ppm2      2.024 CV     1
 ASSI { 1034}
   (( segid "    " and resid 103  and name HA  ))
   (  segid "    " and resid 26   and name HD2%)
      5.100     3.300     0.900 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.26165E-03 ppm1      4.680 ppm2     -1.282 CV     1
 ASSI { 1037}
   (( segid "    " and resid 44   and name HG1 ))
   (( segid "    " and resid 46   and name HD1 ))
      4.000     2.000     2.000 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.26056E-03 ppm1      2.342 ppm2      3.227 CV     1
 ASSI { 1039}
   (  segid "    " and resid 87   and name HD2%)
   (( segid "    " and resid 39   and name HA  ))
      4.000     2.000     2.000 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.26056E-03 ppm1     -0.807 ppm2      3.995 CV     1
 ASSI { 1040}
   (( segid "    " and resid 108  and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
      5.200     3.400     0.800 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.25508E-03 ppm1      1.290 ppm2      8.673 CV     1
 ASSI { 1041}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 36   and name HB2 ))
      5.400     3.700     0.600 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.25508E-03 ppm1      1.246 ppm2      2.634 CV     1
 ASSI { 1044}
   (  segid "    " and resid 24   and name HD1%)
   (( segid "    " and resid 85   and name HA  ))
      5.300     3.600     0.700 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.25290E-03 ppm1      0.613 ppm2      3.986 CV     1
 ASSI { 1049}
   (  segid "    " and resid 24   and name HD1%)
   (( segid "    " and resid 23   and name HA  ))
      4.800     2.900     1.200 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.23866E-03 ppm1      0.610 ppm2      4.938 CV     1
 ASSI { 1051}
   (( segid "    " and resid 36   and name HB1 ))
   (  segid "    " and resid 87   and name HD1%)
      3.900     1.900     1.900 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.23757E-03 ppm1      3.134 ppm2     -0.452 CV     1
 ASSI { 1056}
   (( segid "    " and resid 103  and name HB2 ))
   (( segid "    " and resid 87   and name HG  ))
      5.700     4.100     0.300 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.23318E-03 ppm1      2.259 ppm2      0.667 CV     1
 ASSI { 1057}
   (( segid "    " and resid 103  and name HB2 ))
   (( segid "    " and resid 7    and name HA  ))
      4.400     2.500     1.600 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.23209E-03 ppm1      2.280 ppm2      3.890 CV     1
 ASSI { 1059}
   (( segid "    " and resid 48   and name HB1 ))
   (( segid "    " and resid 45   and name HA  ))
      4.300     2.300     1.700 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.23100E-03 ppm1      1.954 ppm2      3.574 CV     1
 ASSI { 1066}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 72   and name HA  ))
      4.500     2.600     1.500 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.21677E-03 ppm1      1.158 ppm2      5.703 CV     1
 ASSI { 1067}
   (( segid "    " and resid 108  and name HD1 ))
   (( segid "    " and resid 108  and name HN  ))
      5.200     3.400     0.800 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.21458E-03 ppm1      1.493 ppm2      9.162 CV     1
 ASSI { 1068}
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 93   and name HD1 ))
      5.200     3.300     0.800 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.21239E-03 ppm1      4.300 ppm2      7.117 CV     1
 ASSI { 1069}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 109  and name HB% )
      4.400     2.500     1.600 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.21130E-03 ppm1      3.203 ppm2      1.348 CV     1
 ASSI { 1071}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 86   and name HB1 ))
      5.000     3.200     1.000 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.21019E-03 ppm1      4.884 ppm2      2.686 CV     1
 ASSI { 1072}
   (( segid "    " and resid 86   and name HA  ))
   (  segid "    " and resid 87   and name HD1%)
      5.200     3.400     0.800 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.20691E-03 ppm1      5.394 ppm2     -0.482 CV     1
 ASSI { 1073}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 72   and name HA  ))
      4.500     2.500     1.500 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.20582E-03 ppm1      0.134 ppm2      5.690 CV     1
 ASSI { 1077}
   (( segid "    " and resid 27   and name HD2 ))
   (( segid "    " and resid 36   and name HE1 ))
      4.300     2.300     1.700 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.20144E-03 ppm1      3.376 ppm2     10.257 CV     1
 ASSI { 1079}
   (  segid "    " and resid 12   and name HB% )
   (  segid "    " and resid 106  and name HD% )
      4.900     3.000     1.100 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.19706E-03 ppm1      1.543 ppm2      6.715 CV     1
 ASSI { 1082}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 14   and name HN  ))
      4.500     2.600     1.500 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.19268E-03 ppm1      1.545 ppm2      9.249 CV     1
 ASSI { 1087}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 36   and name HD1 ))
      4.800     2.800     1.200 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.19049E-03 ppm1      4.122 ppm2      7.425 CV     1
 ASSI { 1093}
   (( segid "    " and resid 102  and name HA  ))
   (( segid "    " and resid 88   and name HB  ))
      5.500     3.800     0.500 peak  1093 spectrum    1 weight  0.10000E+01 volume  0.17626E-03 ppm1      5.351 ppm2      3.836 CV     1
 ASSI { 1095}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 7    and name HD1 ))
      5.200     3.400     0.800 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.17407E-03 ppm1      3.998 ppm2      1.703 CV     1
 ASSI { 1096}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 71   and name HB1 ))
      5.300     3.500     0.700 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.17407E-03 ppm1      3.885 ppm2      2.015 CV     1
 ASSI { 1097}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 25   and name HG1 ))
      5.800     4.300     0.200 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.17407E-03 ppm1      5.711 ppm2      1.813 CV     1
 ASSI { 1098}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 6    and name HA  ))
      5.300     3.500     0.700 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.17188E-03 ppm1      1.085 ppm2      5.131 CV     1
 ASSI { 1099}
   (( segid "    " and resid 69   and name HA1 ))
   (( segid "    " and resid 58   and name HB2 ))
      5.200     3.400     0.800 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.17188E-03 ppm1      4.439 ppm2      2.619 CV     1
 ASSI { 1100}
   (  segid "    " and resid 24   and name HD1%)
   (( segid "    " and resid 106  and name HN  ))
      5.600     4.000     0.400 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.17079E-03 ppm1      0.610 ppm2      8.655 CV     1
 ASSI { 1105}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 90   and name HN  ))
      4.900     3.000     1.100 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.16641E-03 ppm1      3.842 ppm2      8.999 CV     1
 ASSI { 1107}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 86   and name HA  ))
      5.200     3.400     0.800 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.16531E-03 ppm1      1.245 ppm2      5.364 CV     1
 ASSI { 1112}
   (  segid "    " and resid 24   and name HD1%)
   (( segid "    " and resid 75   and name HN  ))
      5.100     3.300     0.900 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.15984E-03 ppm1      0.610 ppm2      9.762 CV     1
 ASSI { 1118}
   (( segid "    " and resid 92   and name HB2 ))
   (( segid "    " and resid 91   and name HA  ))
      6.000     4.700     0.000 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.15655E-03 ppm1      1.346 ppm2      4.363 CV     1
 ASSI { 1120}
   (( segid "    " and resid 33   and name HA2 ))
   (( segid "    " and resid 91   and name HD1 ))
      5.800     4.300     0.200 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.15437E-03 ppm1      3.700 ppm2      2.629 CV     1
 ASSI { 1122}
   (( segid "    " and resid 21   and name HG  ))
   (( segid "    " and resid 74   and name HA  ))
      5.000     3.100     1.000 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.14780E-03 ppm1      1.319 ppm2      5.301 CV     1
 ASSI { 1125}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 1    and name HB1 ))
      4.500     2.500     1.500 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.14013E-03 ppm1      1.518 ppm2      3.702 CV     1
 ASSI { 1126}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 86   and name HA  ))
      5.200     3.300     0.800 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.13904E-03 ppm1      4.017 ppm2      5.368 CV     1
 ASSI { 1132}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 18   and name HA  ))
      5.500     3.800     0.500 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.13465E-03 ppm1      5.099 ppm2      3.183 CV     1
 ASSI { 1134}
   (( segid "    " and resid 9   and name HB2 ))
   (  segid "    " and resid 103  and name HD% )
      5.000     3.100     1.000 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.13465E-03 ppm1      3.295 ppm2      6.722 CV     1
 ASSI { 1137}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
      5.800     4.300     0.200 peak  1137 spectrum    1 weight  0.10000E+01 volume  0.13028E-03 ppm1      1.513 ppm2      9.400 CV     1
 ASSI { 1138}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      4.900     3.000     1.100 peak  1138 spectrum    1 weight  0.10000E+01 volume  0.12918E-03 ppm1      4.321 ppm2      7.864 CV     1
 ASSI { 1144}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 56   and name HG1 ))
      5.000     3.100     1.000 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.12261E-03 ppm1      5.583 ppm2      1.011 CV     1
 ASSI { 1146}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 66   and name HA2 ))
      4.800     2.900     1.200 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.12261E-03 ppm1      1.958 ppm2      3.753 CV     1
 ASSI { 1147}
   (( segid "    " and resid 91   and name HG1 ))
   (( segid "    " and resid 95   and name HA2 ))
      5.400     3.600     0.600 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.12261E-03 ppm1      0.339 ppm2      3.764 CV     1
 ASSI { 1151}
   (( segid "    " and resid 91   and name HG1 ))
   (( segid "    " and resid 92   and name HD1 ))
      5.900     4.300     0.100 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.11933E-03 ppm1      0.345 ppm2      3.537 CV     1
 ASSI { 1152}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 73   and name HA  ))
      5.100     3.200     0.900 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.11824E-03 ppm1      2.254 ppm2      5.046 CV     1
 ASSI { 1153}
   (  segid "    " and resid 90   and name HE% )
   (( segid "    " and resid 88   and name HN  ))
      2.900     2.900     3.100 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.11824E-03 ppm1      1.839 ppm2      9.402 CV     1
 ASSI { 1157}
   (  segid "    " and resid 87   and name HD1%)
   (( segid "    " and resid 10   and name HA  ))
      5.900     4.400     0.100 peak  1157 spectrum    1 weight  0.10000E+01 volume  0.11386E-03 ppm1     -0.455 ppm2      4.009 CV     1
 ASSI { 1161}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 90   and name HG2 ))
      5.800     4.200     0.200 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.10948E-03 ppm1      3.845 ppm2      1.769 CV     1
 ASSI { 1164}
   (( segid "    " and resid 50   and name HG1 ))
   (( segid "    " and resid 77   and name HA  ))
      5.800     4.200     0.200 peak  1164 spectrum    1 weight  0.10000E+01 volume  0.10149E-03 ppm1      2.792 ppm2      3.788 CV     1
 ASSI { 1165}
   (( segid "    " and resid 34   and name HB2 ))
   (  segid "    " and resid 89   and name HD% )
      4.900     3.000     1.100 peak  1165 spectrum    1 weight  0.10000E+01 volume  0.96885E-04 ppm1      0.740 ppm2      5.573 CV     1
 ASSI { 1171}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 71   and name HB1 ))
      5.500     3.700     0.500 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.87366E-04 ppm1      0.433 ppm2      1.993 CV     1
 ASSI { 1172}
   (( segid "    " and resid 48   and name HG1 ))
   (( segid "    " and resid 49   and name HA  ))
      5.100     3.300     0.900 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.86488E-04 ppm1      2.216 ppm2      4.110 CV     1
 ASSI { 1177}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 110  and name HB1 ))
      4.600     2.600     1.400 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.76635E-04 ppm1      3.997 ppm2      2.696 CV     1
 ASSI { 1178}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 56   and name HD1 ))
      6.000     4.700     0.000 peak  1178 spectrum    1 weight  0.10000E+01 volume  0.73679E-04 ppm1      5.709 ppm2      1.438 CV     1
 ASSI { 1179}
   (( segid "    " and resid 69   and name HA1 ))
   (( segid "    " and resid 60   and name HG1 ))
      5.500     3.700     0.500 peak  1179 spectrum    1 weight  0.10000E+01 volume  0.73460E-04 ppm1      4.432 ppm2      1.976 CV     1
 ASSI { 1183}
   (( segid "    " and resid 44   and name HG1 ))
   (( segid "    " and resid 45   and name HA  ))
      4.900     3.000     1.100 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.67111E-04 ppm1      2.328 ppm2      3.567 CV     1
 ASSI { 1185}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 110  and name HB2 ))
      5.200     3.400     0.800 peak  1185 spectrum    1 weight  0.10000E+01 volume  0.65578E-04 ppm1      5.105 ppm2      2.606 CV     1
 ASSI { 1188}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 22   and name HB  ))
      3.200     3.200     2.800 peak  1188 spectrum    1 weight  0.10000E+01 volume  0.61965E-04 ppm1      5.524 ppm2      1.972 CV     1
 ASSI { 1190}
   (( segid "    " and resid 19   and name HA2 ))
   (( segid "    " and resid 78   and name HB2 ))
      5.500     3.800     0.500 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.57367E-04 ppm1      3.590 ppm2      1.370 CV     1
 ASSI { 1201}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 23   and name HA  ))
      2.200     0.600     0.600 peak  1201 spectrum    1 weight  0.11000E+01 volume  0.34924E-02 ppm1      5.341 ppm2      4.937 CV     1
 ASSI { 1206}
   (  segid "    " and resid 24   and name HG2%)
   (  segid "    " and resid 26   and name HD2%)
      2.500     0.800     0.800 peak  1206 spectrum    1 weight  0.11000E+01 volume  0.33062E-02 ppm1      0.133 ppm2     -1.272 CV     1
 ASSI { 1207}
   (( segid "    " and resid 27   and name HD2 ))
   (  segid "    " and resid 26   and name HD2%)
      5.000     3.200     1.000 peak  1207 spectrum    1 weight  0.11000E+01 volume  0.24195E-03 ppm1      3.381 ppm2     -1.268 CV     1
 ASSI { 1208}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 51   and name HA  ))
      3.200     1.300     1.300 peak  1208 spectrum    1 weight  0.11000E+01 volume  0.34924E-02 ppm1      3.817 ppm2      5.078 CV     1
 ASSI {    4}
   (( segid "    " and resid 83   and name HE1 ))
   (( segid "    " and resid 45   and name HA  ))
      3.800     1.800     1.800 peak     4 spectrum    1 weight  0.10000E+01 volume  0.45304E-03 ppm1      7.815 ppm2      3.576 CV     1
 ASSI {    9}
   (( segid "    " and resid 83   and name HE1 ))
   (( segid "    " and resid 87   and name HG  ))
      5.300     3.500     0.700 peak     9 spectrum    1 weight  0.10000E+01 volume  0.13364E-03 ppm1      7.814 ppm2      0.691 CV     1
 ASSI {   13}
   (( segid "    " and resid 9   and name HE1 ))
   (  segid "    " and resid 24   and name HD1%)
      4.100     2.100     1.900 peak    13 spectrum    1 weight  0.10000E+01 volume  0.11152E-04 ppm1      7.731 ppm2      0.589 CV     1
 ASSI {   20}
   (  segid "    " and resid 38   and name HD% )
   (  segid "    " and resid 38   and name HE% )
      2.600     0.800     0.800 peak    20 spectrum    1 weight  0.10000E+01 volume  0.20758E-02 ppm1      7.504 ppm2      6.894 CV     1
 ASSI {   21}
   (  segid "    " and resid 38   and name HD% )
   (( segid "    " and resid 43   and name HA  ))
      2.100     0.500     0.500 peak    21 spectrum    1 weight  0.10000E+01 volume  0.68788E-02 ppm1      7.503 ppm2      4.897 CV     1
 ASSI {   28}
   (  segid "    " and resid 38   and name HD% )
   (  segid "    " and resid 53   and name HG1%)
      3.600     1.600     1.600 peak    28 spectrum    1 weight  0.10000E+01 volume  0.87125E-03 ppm1      7.505 ppm2      1.338 CV     1
 ASSI {   29}
   (  segid "    " and resid 38   and name HD% )
   (  segid "    " and resid 85   and name HG1%)
      3.600     1.600     1.600 peak    29 spectrum    1 weight  0.10000E+01 volume  0.90456E-03 ppm1      7.502 ppm2      0.618 CV     1
 ASSI {   30}
   (  segid "    " and resid 38   and name HD% )
   (( segid "    " and resid 87   and name HN  ))
      4.600     2.600     1.400 peak    30 spectrum    1 weight  0.10000E+01 volume  0.17879E-03 ppm1      7.501 ppm2      9.352 CV     1
 ASSI {   32}
   (  segid "    " and resid 106  and name HD% )
   (( segid "    " and resid 106  and name HN  ))
      2.600     0.800     0.800 peak    32 spectrum    1 weight  0.10000E+01 volume  0.33485E-02 ppm1      6.703 ppm2      8.662 CV     1
 ASSI {   44}
   (  segid "    " and resid 51   and name HD% )
   (  segid "    " and resid 75   and name HG2%)
      4.100     2.100     1.900 peak    44 spectrum    1 weight  0.10000E+01 volume  0.41061E-03 ppm1      6.664 ppm2      0.597 CV     1
 ASSI {   49}
   (  segid "    " and resid 37   and name HD% )
   (( segid "    " and resid 38   and name HB2 ))
      6.000     5.100     0.000 peak    49 spectrum    1 weight  0.10000E+01 volume  0.25303E-04 ppm1      6.848 ppm2      3.114 CV     1
 ASSI {   54}
   (  segid "    " and resid 89   and name HD% )
   (( segid "    " and resid 89   and name HN  ))
      4.300     2.300     1.700 peak    54 spectrum    1 weight  0.10000E+01 volume  0.57879E-03 ppm1      5.586 ppm2      8.573 CV     1
 ASSI {   60}
   (  segid "    " and resid 89   and name HD% )
   (( segid "    " and resid 89   and name HB1 ))
      2.200     0.600     0.600 peak    60 spectrum    1 weight  0.10000E+01 volume  0.48333E-02 ppm1      5.586 ppm2      2.288 CV     1
 ASSI {   61}
   (  segid "    " and resid 89   and name HD% )
   (  segid "    " and resid 35   and name HB% )
      4.400     2.400     1.600 peak    61 spectrum    1 weight  0.10000E+01 volume  0.46819E-03 ppm1      5.585 ppm2      1.258 CV     1
 ASSI {   62}
   (  segid "    " and resid 89   and name HD% )
   (( segid "    " and resid 89   and name HB2 ))
      2.600     0.800     0.800 peak    62 spectrum    1 weight  0.10000E+01 volume  0.25606E-02 ppm1      5.587 ppm2      0.043 CV     1
 ASSI {   70}
   (  segid "    " and resid 73   and name HD% )
   (( segid "    " and resid 43   and name HB1 ))
      2.900     1.100     1.100 peak    70 spectrum    1 weight  0.10000E+01 volume  0.21212E-02 ppm1      6.874 ppm2      2.179 CV     1
 ASSI {   79}
   (  segid "    " and resid 34   and name HE% )
   (( segid "    " and resid 96   and name HB2 ))
      3.400     1.500     1.500 peak    79 spectrum    1 weight  0.10000E+01 volume  0.96817E-03 ppm1      7.134 ppm2      1.928 CV     1
 ASSI {   84}
   (( segid "    " and resid 38   and name HZ  ))
   (( segid "    " and resid 45   and name HA  ))
      3.000     1.100     1.100 peak    84 spectrum    1 weight  0.10000E+01 volume  0.10576E-02 ppm1      7.283 ppm2      3.567 CV     1
 ASSI {   87}
   (( segid "    " and resid 38   and name HZ  ))
   (( segid "    " and resid 85   and name HB  ))
      3.500     1.600     1.600 peak    87 spectrum    1 weight  0.10000E+01 volume  0.12561E-02 ppm1      7.269 ppm2      2.053 CV     1
 ASSI {   90}
   (( segid "    " and resid 38   and name HZ  ))
   (  segid "    " and resid 85   and name HG1%)
      2.600     0.800     0.800 peak    90 spectrum    1 weight  0.10000E+01 volume  0.34849E-02 ppm1      7.292 ppm2      0.608 CV     1
 ASSI {   95}
   (( segid "    " and resid 93   and name HD1 ))
   (( segid "    " and resid 93   and name HB1 ))
      3.400     1.400     1.400 peak    95 spectrum    1 weight  0.10000E+01 volume  0.27576E-02 ppm1      7.100 ppm2      3.301 CV     1
 ASSI {  100}
   (  segid "    " and resid 38   and name HE% )
   (( segid "    " and resid 45   and name HA  ))
      3.600     1.600     1.600 peak   100 spectrum    1 weight  0.10000E+01 volume  0.45455E-03 ppm1      6.902 ppm2      3.577 CV     1
 ASSI {  101}
   (  segid "    " and resid 38   and name HE% )
   (( segid "    " and resid 46   and name HD1 ))
      4.100     2.100     1.900 peak   101 spectrum    1 weight  0.10000E+01 volume  0.26364E-03 ppm1      6.886 ppm2      3.193 CV     1
 ASSI {  103}
   (  segid "    " and resid 38   and name HE% )
   (( segid "    " and resid 43   and name HB1 ))
      4.700     2.700     1.300 peak   103 spectrum    1 weight  0.10000E+01 volume  0.30152E-03 ppm1      6.889 ppm2      2.128 CV     1
 ASSI {  104}
   (  segid "    " and resid 38   and name HE% )
   (  segid "    " and resid 53   and name HG1%)
      2.900     1.100     1.100 peak   104 spectrum    1 weight  0.10000E+01 volume  0.21212E-02 ppm1      6.890 ppm2      1.349 CV     1
 ASSI {  105}
   (  segid "    " and resid 38   and name HE% )
   (  segid "    " and resid 85   and name HG1%)
      3.200     1.300     1.300 peak   105 spectrum    1 weight  0.10000E+01 volume  0.12940E-02 ppm1      6.890 ppm2      0.606 CV     1
 ASSI {  107}
   (( segid "    " and resid 36   and name HD1 ))
   (( segid "    " and resid 36   and name HE1 ))
      2.500     0.800     0.800 peak   107 spectrum    1 weight  0.10000E+01 volume  0.21818E-02 ppm1      7.419 ppm2     10.277 CV     1
 ASSI {  109}
   (( segid "    " and resid 36   and name HD1 ))
   (( segid "    " and resid 36   and name HZ2 ))
      3.900     1.900     1.900 peak   109 spectrum    1 weight  0.10000E+01 volume  0.77122E-03 ppm1      7.418 ppm2      6.909 CV     1
 ASSI {  112}
   (( segid "    " and resid 36   and name HD1 ))
   (( segid "    " and resid 28   and name HA  ))
      5.600     5.600     0.400 peak   112 spectrum    1 weight  0.10000E+01 volume  0.84394E-05 ppm1      7.417 ppm2      4.810 CV     1
 ASSI {  113}
   (( segid "    " and resid 36   and name HD1 ))
   (( segid "    " and resid 28   and name HB1 ))
      3.200     1.300     1.300 peak   113 spectrum    1 weight  0.10000E+01 volume  0.23333E-02 ppm1      7.418 ppm2      4.111 CV     1
 ASSI {  115}
   (( segid "    " and resid 36   and name HD1 ))
   (( segid "    " and resid 57   and name HB2 ))
      6.000     5.200     0.000 peak   115 spectrum    1 weight  0.10000E+01 volume  0.69697E-04 ppm1      7.419 ppm2      2.585 CV     1
 ASSI {  116}
   (( segid "    " and resid 36   and name HD1 ))
   (( segid "    " and resid 71   and name HB1 ))
      3.900     1.900     1.900 peak   116 spectrum    1 weight  0.10000E+01 volume  0.74697E-03 ppm1      7.418 ppm2      2.004 CV     1
 ASSI {  119}
   (( segid "    " and resid 93   and name HH2 ))
   (( segid "    " and resid 33   and name HA1 ))
      3.400     1.400     1.400 peak   119 spectrum    1 weight  0.10000E+01 volume  0.82425E-03 ppm1      7.205 ppm2      4.327 CV     1
 ASSI {  120}
   (( segid "    " and resid 93   and name HH2 ))
   (( segid "    " and resid 33   and name HA2 ))
      3.200     1.300     1.300 peak   120 spectrum    1 weight  0.10000E+01 volume  0.74849E-03 ppm1      7.204 ppm2      3.683 CV     1
 ASSI {  121}
   (( segid "    " and resid 93   and name HH2 ))
   (( segid "    " and resid 91   and name HD1 ))
      3.800     1.800     1.800 peak   121 spectrum    1 weight  0.10000E+01 volume  0.55000E-03 ppm1      7.209 ppm2      2.619 CV     1
 ASSI {  122}
   (( segid "    " and resid 93   and name HH2 ))
   (( segid "    " and resid 91   and name HG1 ))
      4.200     2.200     1.800 peak   122 spectrum    1 weight  0.10000E+01 volume  0.47273E-03 ppm1      7.204 ppm2      0.347 CV     1
 ASSI {  129}
   (( segid "    " and resid 36   and name HZ3 ))
   (( segid "    " and resid 103  and name HB2 ))
      2.700     0.900     0.900 peak   129 spectrum    1 weight  0.10000E+01 volume  0.20303E-02 ppm1      6.760 ppm2      2.282 CV     1
 OR {  129}
   (( segid "    " and resid 36   and name HH2 ))
   (( segid "    " and resid 103  and name HB2 ))
 ASSI {  133}
   (( segid "    " and resid 36   and name HH2 ))
   (  segid "    " and resid 26   and name HD1%)
      4.300     2.300     1.700 peak   133 spectrum    1 weight  0.10000E+01 volume  0.21667E-03 ppm1      6.764 ppm2     -0.622 CV     1
 ASSI {  135}
   (( segid "    " and resid 93   and name HZ3 ))
   (( segid "    " and resid 93   and name HE3 ))
      2.200     0.600     0.600 peak   135 spectrum    1 weight  0.10000E+01 volume  0.70606E-02 ppm1      7.175 ppm2      7.567 CV     1
 ASSI {  137}
   (( segid "    " and resid 93   and name HZ3 ))
   (( segid "    " and resid 91   and name HA  ))
      6.000     5.100     0.000 peak   137 spectrum    1 weight  0.10000E+01 volume  0.44242E-04 ppm1      7.181 ppm2      4.324 CV     1
 ASSI {  138}
   (( segid "    " and resid 93   and name HZ3 ))
   (( segid "    " and resid 92   and name HD1 ))
      3.900     1.900     1.900 peak   138 spectrum    1 weight  0.10000E+01 volume  0.14394E-02 ppm1      7.178 ppm2      3.552 CV     1
 ASSI {  139}
   (( segid "    " and resid 93   and name HZ3 ))
   (( segid "    " and resid 92   and name HG1 ))
      4.300     2.300     1.700 peak   139 spectrum    1 weight  0.10000E+01 volume  0.53333E-03 ppm1      7.174 ppm2      1.813 CV     1
 ASSI {  140}
   (( segid "    " and resid 36   and name HE3 ))
   (( segid "    " and resid 87   and name HN  ))
      3.600     1.600     1.600 peak   140 spectrum    1 weight  0.10000E+01 volume  0.11636E-02 ppm1      7.076 ppm2      9.336 CV     1
 ASSI {  141}
   (( segid "    " and resid 36   and name HE3 ))
   (( segid "    " and resid 36   and name HA  ))
      2.800     1.000     1.000 peak   141 spectrum    1 weight  0.10000E+01 volume  0.12621E-02 ppm1      7.080 ppm2      4.987 CV     1
 ASSI {  146}
   (( segid "    " and resid 36   and name HE3 ))
   (( segid "    " and resid 87   and name HB2 ))
      2.400     0.700     0.700 peak   146 spectrum    1 weight  0.10000E+01 volume  0.26818E-02 ppm1      7.076 ppm2      1.273 CV     1
 ASSI {  152}
   (( segid "    " and resid 93   and name HE3 ))
   (( segid "    " and resid 93   and name HA  ))
      4.300     2.300     1.700 peak   152 spectrum    1 weight  0.10000E+01 volume  0.49697E-03 ppm1      7.573 ppm2      4.532 CV     1
 ASSI {  153}
   (( segid "    " and resid 93   and name HE3 ))
   (( segid "    " and resid 93   and name HB1 ))
      2.400     0.700     0.700 peak   153 spectrum    1 weight  0.10000E+01 volume  0.32121E-02 ppm1      7.570 ppm2      3.296 CV     1
 ASSI {  154}
   (( segid "    " and resid 93   and name HE3 ))
   (( segid "    " and resid 92   and name HG1 ))
      3.700     1.700     1.700 peak   154 spectrum    1 weight  0.10000E+01 volume  0.23485E-02 ppm1      7.571 ppm2      1.809 CV     1
 ASSI {  162}
   (( segid "    " and resid 9   and name HD2 ))
   (( segid "    " and resid 105  and name HA  ))
      5.100     3.300     0.900 peak   162 spectrum    1 weight  0.10000E+01 volume  0.27576E-03 ppm1      7.005 ppm2      4.325 CV     1
 ASSI {  165}
   (( segid "    " and resid 3    and name HD2 ))
   (( segid "    " and resid 24   and name HA  ))
      5.000     3.100     1.000 peak   165 spectrum    1 weight  0.10000E+01 volume  0.10894E-03 ppm1      6.909 ppm2      4.446 CV     1
 ASSI {  167}
   (( segid "    " and resid 3    and name HD2 ))
   (( segid "    " and resid 16   and name HB  ))
      3.000     1.100     1.100 peak   167 spectrum    1 weight  0.10000E+01 volume  0.17273E-02 ppm1      6.909 ppm2      2.058 CV     1
 ASSI {  168}
   (( segid "    " and resid 3    and name HD2 ))
   (  segid "    " and resid 109  and name HB% )
      5.600     4.000     0.400 peak   168 spectrum    1 weight  0.10000E+01 volume  0.81970E-04 ppm1      6.907 ppm2      1.335 CV     1
 ASSI {  172}
   (  segid "    " and resid 37   and name HE% )
   (( segid "    " and resid 37   and name HN  ))
      3.400     3.400     2.600 peak   172 spectrum    1 weight  0.10000E+01 volume  0.16061E-02 ppm1      6.698 ppm2      9.091 CV     1
 ASSI {  174}
   (  segid "    " and resid 37   and name HE% )
   (( segid "    " and resid 35   and name HN  ))
      3.500     3.500     2.500 peak   174 spectrum    1 weight  0.10000E+01 volume  0.10333E-02 ppm1      6.704 ppm2      7.857 CV     1
 ASSI {  179}
   (  segid "    " and resid 37   and name HE% )
   (( segid "    " and resid 41   and name HA1 ))
      3.200     3.200     2.800 peak   179 spectrum    1 weight  0.10000E+01 volume  0.35455E-02 ppm1      6.707 ppm2      3.885 CV     1
 ASSI {  205}
   (  segid "    " and resid 89   and name HE% )
   (( segid "    " and resid 34   and name HB1 ))
      3.600     1.600     1.600 peak   205 spectrum    1 weight  0.10000E+01 volume  0.97273E-03 ppm1      6.442 ppm2      2.331 CV     1
 ASSI {  206}
   (  segid "    " and resid 89   and name HE% )
   (( segid "    " and resid 101  and name HB1 ))
      2.100     2.100     3.900 peak   206 spectrum    1 weight  0.10000E+01 volume  0.61364E-03 ppm1      6.449 ppm2      1.950 CV     1
 ASSI {  207}
   (  segid "    " and resid 89   and name HE% )
   (  segid "    " and resid 31   and name HG2%)
      2.800     1.000     1.000 peak   207 spectrum    1 weight  0.10000E+01 volume  0.15455E-02 ppm1      6.454 ppm2      1.303 CV     1
 ASSI {  208}
   (  segid "    " and resid 89   and name HE% )
   (( segid "    " and resid 34   and name HB2 ))
      3.100     3.100     2.900 peak   208 spectrum    1 weight  0.10000E+01 volume  0.59243E-03 ppm1      6.457 ppm2      0.780 CV     1
 ASSI {  217}
   (( segid "    " and resid 93   and name HZ2 ))
   (( segid "    " and resid 33   and name HA1 ))
      3.300     1.400     1.400 peak   217 spectrum    1 weight  0.10000E+01 volume  0.56819E-03 ppm1      7.378 ppm2      4.324 CV     1
 ASSI {  218}
   (( segid "    " and resid 93   and name HZ2 ))
   (( segid "    " and resid 91   and name HD1 ))
      2.700     0.900     0.900 peak   218 spectrum    1 weight  0.10000E+01 volume  0.21515E-02 ppm1      7.370 ppm2      2.603 CV     1
 ASSI {  220}
   (( segid "    " and resid 36   and name HZ2 ))
   (( segid "    " and resid 36   and name HE1 ))
      2.800     1.000     1.000 peak   220 spectrum    1 weight  0.10000E+01 volume  0.16061E-02 ppm1      6.931 ppm2     10.275 CV     1
 ASSI {  229}
   (( segid "    " and resid 36   and name HZ2 ))
   (( segid "    " and resid 26   and name HB2 ))
      3.700     3.700     2.300 peak   229 spectrum    1 weight  0.10000E+01 volume  0.14591E-02 ppm1      6.935 ppm2      0.449 CV     1
 ASSI {  234}
   (( segid "    " and resid 36   and name HZ2 ))
   (( segid "    " and resid 103  and name HB2 ))
      5.800     4.200     0.200 peak   234 spectrum    1 weight  0.10000E+01 volume  0.40909E-04 ppm1      6.926 ppm2      2.249 CV     1
 ASSI {  236}
   (( segid "    " and resid 36   and name HH2 ))
   (  segid "    " and resid 26   and name HD2%)
      4.700     2.700     1.300 peak   236 spectrum    1 weight  0.11000E+01 volume  0.28636E-03 ppm1      6.764 ppm2     -1.279 CV     1
 ASSI {    3}
   (( segid "    " and resid 110  and name HD22))
   (( segid "    " and resid 110  and name HD21))
      1.700     0.300     0.500 peak     3 spectrum    1 weight  0.11000E+01 volume  0.20698E-01 ppm1      6.670 ppm2      7.506 CV     1
 ASSI {    6}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      2.000     0.500     0.500 peak     6 spectrum    1 weight  0.10000E+01 volume  0.15437E-01 ppm1      9.060 ppm2      4.910 CV     1
 ASSI {   11}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      1.900     0.500     0.500 peak    11 spectrum    1 weight  0.10000E+01 volume  0.13406E-01 ppm1      9.022 ppm2      4.889 CV     1
 ASSI {   12}
   (( segid "    " and resid 10   and name HD21))
   (( segid "    " and resid 10   and name HD22))
      1.700     0.400     0.500 peak    12 spectrum    1 weight  0.11000E+01 volume  0.13337E-01 ppm1      7.805 ppm2      6.979 CV     1
 ASSI {   13}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      2.000     0.500     0.500 peak    13 spectrum    1 weight  0.10000E+01 volume  0.12184E-01 ppm1      9.587 ppm2      5.068 CV     1
 ASSI {   15}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      2.200     0.600     0.600 peak    15 spectrum    1 weight  0.11000E+01 volume  0.93684E-02 ppm1      8.433 ppm2      4.298 CV     1
 ASSI {   16}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      2.900     2.900     3.100 peak    16 spectrum    1 weight  0.10000E+01 volume  0.92530E-02 ppm1      8.641 ppm2      4.932 CV     1
 ASSI {   17}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 28   and name HB1 ))
      2.700     2.700     3.300 peak    17 spectrum    1 weight  0.10000E+01 volume  0.84684E-02 ppm1      8.223 ppm2      4.158 CV     1
 ASSI {   18}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 69   and name HA2 ))
      2.700     2.700     3.300 peak    18 spectrum    1 weight  0.10000E+01 volume  0.84684E-02 ppm1      8.338 ppm2      4.210 CV     1
 ASSI {   21}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 101  and name HA  ))
      2.300     0.700     0.700 peak    21 spectrum    1 weight  0.10000E+01 volume  0.77762E-02 ppm1      8.491 ppm2      4.318 CV     1
 ASSI {   23}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HD1 ))
      2.200     0.600     0.600 peak    23 spectrum    1 weight  0.10000E+01 volume  0.77301E-02 ppm1      8.546 ppm2      1.544 CV     1
 ASSI {   24}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 68   and name HA1 ))
      2.900     2.900     3.100 peak    24 spectrum    1 weight  0.10000E+01 volume  0.77070E-02 ppm1      8.657 ppm2      4.059 CV     1
 ASSI {   25}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      1.900     0.500     0.500 peak    25 spectrum    1 weight  0.10000E+01 volume  0.75685E-02 ppm1      8.540 ppm2      4.901 CV     1
 ASSI {   28}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      2.200     0.600     0.600 peak    28 spectrum    1 weight  0.10000E+01 volume  0.74301E-02 ppm1      8.653 ppm2      4.846 CV     1
 ASSI {   29}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      2.200     0.600     0.600 peak    29 spectrum    1 weight  0.10000E+01 volume  0.73839E-02 ppm1      9.384 ppm2      4.840 CV     1
 ASSI {   32}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      2.400     0.700     0.700 peak    32 spectrum    1 weight  0.10000E+01 volume  0.71994E-02 ppm1      8.609 ppm2      4.678 CV     1
 ASSI {   33}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      2.200     0.600     0.600 peak    33 spectrum    1 weight  0.10000E+01 volume  0.71994E-02 ppm1      8.447 ppm2      3.975 CV     1
 ASSI {   35}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      2.400     0.700     0.700 peak    35 spectrum    1 weight  0.10000E+01 volume  0.67840E-02 ppm1      8.542 ppm2      4.695 CV     1
 ASSI {   37}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      2.500     0.800     0.800 peak    37 spectrum    1 weight  0.11000E+01 volume  0.67609E-02 ppm1      8.912 ppm2      4.020 CV     1
 ASSI {   41}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 108  and name HA  ))
      2.100     0.600     0.600 peak    41 spectrum    1 weight  0.10000E+01 volume  0.65764E-02 ppm1      9.065 ppm2      4.780 CV     1
 ASSI {   43}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 84   and name HB% )
      2.400     0.700     0.700 peak    43 spectrum    1 weight  0.10000E+01 volume  0.64609E-02 ppm1      9.062 ppm2      1.352 CV     1
 ASSI {   44}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB  ))
      2.200     0.600     0.600 peak    44 spectrum    1 weight  0.10000E+01 volume  0.64379E-02 ppm1      9.053 ppm2      1.736 CV     1
 ASSI {   47}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB1 ))
      2.400     0.700     0.700 peak    47 spectrum    1 weight  0.10000E+01 volume  0.61379E-02 ppm1      9.016 ppm2      1.955 CV     1
 ASSI {   50}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      2.500     0.800     0.800 peak    50 spectrum    1 weight  0.10000E+01 volume  0.59302E-02 ppm1      8.382 ppm2      4.437 CV     1
 ASSI {   52}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HB1 ))
      2.500     0.800     0.800 peak    52 spectrum    1 weight  0.10000E+01 volume  0.58379E-02 ppm1      7.779 ppm2      1.549 CV     1
 ASSI {   54}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HB  ))
      2.400     0.700     0.700 peak    54 spectrum    1 weight  0.10000E+01 volume  0.57456E-02 ppm1      8.595 ppm2      2.050 CV     1
 ASSI {   57}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
      2.700     0.900     0.900 peak    57 spectrum    1 weight  0.10000E+01 volume  0.56764E-02 ppm1      9.057 ppm2      2.173 CV     1
 ASSI {   58}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 95   and name HN  ))
      2.200     0.600     0.600 peak    58 spectrum    1 weight  0.11000E+01 volume  0.56302E-02 ppm1      6.749 ppm2      7.581 CV     1
 ASSI {   59}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HG2 ))
      2.500     0.800     0.800 peak    59 spectrum    1 weight  0.10000E+01 volume  0.56072E-02 ppm1      7.859 ppm2      2.237 CV     1
 ASSI {   63}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      2.200     0.600     0.600 peak    63 spectrum    1 weight  0.10000E+01 volume  0.55149E-02 ppm1      8.941 ppm2      4.846 CV     1
 ASSI {   64}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      2.300     0.700     0.700 peak    64 spectrum    1 weight  0.11000E+01 volume  0.55149E-02 ppm1      8.266 ppm2      3.571 CV     1
 ASSI {   66}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      2.300     0.700     0.700 peak    66 spectrum    1 weight  0.10000E+01 volume  0.54687E-02 ppm1      9.396 ppm2      4.890 CV     1
 ASSI {   67}
   (( segid "    " and resid 105  and name HN  ))
   (  segid "    " and resid 5    and name HG2%)
      3.300     3.300     2.700 peak    67 spectrum    1 weight  0.10000E+01 volume  0.53533E-02 ppm1      7.823 ppm2      0.543 CV     1
 ASSI {   70}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HG1 ))
      2.400     0.700     0.700 peak    70 spectrum    1 weight  0.10000E+01 volume  0.51918E-02 ppm1      8.715 ppm2      1.835 CV     1
 ASSI {   71}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      1.600     1.600     4.400 peak    71 spectrum    1 weight  0.10000E+01 volume  0.51688E-02 ppm1      8.116 ppm2      4.294 CV     1
 ASSI {   80}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 12   and name HB% )
      2.400     0.700     0.700 peak    80 spectrum    1 weight  0.10000E+01 volume  0.48457E-02 ppm1      8.498 ppm2      1.523 CV     1
 ASSI {   81}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 91   and name HA  ))
      3.200     3.200     2.800 peak    81 spectrum    1 weight  0.10000E+01 volume  0.48227E-02 ppm1      7.824 ppm2      4.357 CV     1
 ASSI {   83}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      2.400     0.700     0.700 peak    83 spectrum    1 weight  0.10000E+01 volume  0.48227E-02 ppm1      9.143 ppm2      4.927 CV     1
 ASSI {   84}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 44   and name HB2 ))
      3.000     3.000     3.000 peak    84 spectrum    1 weight  0.10000E+01 volume  0.48227E-02 ppm1      9.138 ppm2      1.824 CV     1
 ASSI {   85}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      2.300     0.600     0.600 peak    85 spectrum    1 weight  0.11000E+01 volume  0.48227E-02 ppm1      8.480 ppm2      5.033 CV     1
 ASSI {   86}
   (( segid "    " and resid 99  and name HN  ))
   (( segid "    " and resid 95   and name HA2 ))
      2.600     2.600     3.400 peak    86 spectrum    1 weight  0.10000E+01 volume  0.47534E-02 ppm1      8.122 ppm2      3.774 CV     1
 ASSI {   87}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 67   and name HB% )
      2.600     0.900     0.900 peak    87 spectrum    1 weight  0.10000E+01 volume  0.47534E-02 ppm1      7.676 ppm2      1.432 CV     1
 ASSI {   89}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      2.400     2.400     3.600 peak    89 spectrum    1 weight  0.11000E+01 volume  0.47072E-02 ppm1      9.162 ppm2      4.882 CV     1
 ASSI {   90}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
      2.100     0.500     0.500 peak    90 spectrum    1 weight  0.10000E+01 volume  0.46842E-02 ppm1      8.863 ppm2      1.729 CV     1
 ASSI {   92}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      2.300     0.600     0.600 peak    92 spectrum    1 weight  0.10000E+01 volume  0.46380E-02 ppm1      8.414 ppm2      4.476 CV     1
 ASSI {   93}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      2.500     0.800     0.800 peak    93 spectrum    1 weight  0.10000E+01 volume  0.46150E-02 ppm1      8.207 ppm2      4.743 CV     1
 ASSI {   94}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 108  and name HG1 ))
      2.800     1.000     1.000 peak    94 spectrum    1 weight  0.10000E+01 volume  0.45227E-02 ppm1      9.065 ppm2      1.271 CV     1
 ASSI {   97}
   (( segid "    " and resid 108  and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
      3.200     1.300     1.300 peak    97 spectrum    1 weight  0.10000E+01 volume  0.44996E-02 ppm1      9.143 ppm2      1.180 CV     1
 ASSI {   98}
   (( segid "    " and resid 93   and name HE1 ))
   (( segid "    " and resid 93   and name HD1 ))
      2.600     0.900     0.900 peak    98 spectrum    1 weight  0.10000E+01 volume  0.44534E-02 ppm1     10.252 ppm2      7.138 CV     1
 ASSI {   99}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 84   and name HB% )
      2.900     1.100     1.100 peak    99 spectrum    1 weight  0.10000E+01 volume  0.43842E-02 ppm1      8.597 ppm2      1.341 CV     1
 ASSI {  100}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
      2.700     0.900     0.900 peak   100 spectrum    1 weight  0.10000E+01 volume  0.43842E-02 ppm1      8.210 ppm2      1.550 CV     1
 ASSI {  101}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 8    and name HB% )
      2.600     0.800     0.800 peak   101 spectrum    1 weight  0.10000E+01 volume  0.43611E-02 ppm1      7.882 ppm2      1.049 CV     1
 ASSI {  102}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      2.100     0.600     0.600 peak   102 spectrum    1 weight  0.10000E+01 volume  0.43611E-02 ppm1      8.540 ppm2      0.435 CV     1
 ASSI {  105}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 18   and name HG1%)
      3.300     1.400     1.400 peak   105 spectrum    1 weight  0.10000E+01 volume  0.43381E-02 ppm1      8.613 ppm2      0.786 CV     1
 ASSI {  106}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      2.500     0.800     0.800 peak   106 spectrum    1 weight  0.11000E+01 volume  0.43150E-02 ppm1      7.857 ppm2      8.587 CV     1
 ASSI {  108}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      2.900     1.000     1.000 peak   108 spectrum    1 weight  0.11000E+01 volume  0.42689E-02 ppm1      7.318 ppm2      8.559 CV     1
 ASSI {  110}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      2.600     0.900     0.900 peak   110 spectrum    1 weight  0.10000E+01 volume  0.42689E-02 ppm1      8.328 ppm2      4.617 CV     1
 ASSI {  111}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HB1 ))
      3.500     1.500     1.500 peak   111 spectrum    1 weight  0.10000E+01 volume  0.42227E-02 ppm1      8.266 ppm2      2.102 CV     1
 ASSI {  112}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      2.400     0.700     0.700 peak   112 spectrum    1 weight  0.10000E+01 volume  0.42227E-02 ppm1      7.857 ppm2      3.869 CV     1
 ASSI {  113}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 89   and name HA  ))
      2.300     0.700     0.700 peak   113 spectrum    1 weight  0.10000E+01 volume  0.42227E-02 ppm1      8.966 ppm2      4.446 CV     1
 ASSI {  114}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HB  ))
      2.700     0.900     0.900 peak   114 spectrum    1 weight  0.10000E+01 volume  0.41765E-02 ppm1      8.653 ppm2      2.026 CV     1
 ASSI {  115}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 35   and name HB% )
      2.700     0.900     0.900 peak   115 spectrum    1 weight  0.10000E+01 volume  0.41073E-02 ppm1      8.914 ppm2      1.261 CV     1
 ASSI {  116}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB  ))
      2.600     0.800     0.800 peak   116 spectrum    1 weight  0.10000E+01 volume  0.41073E-02 ppm1      8.375 ppm2      2.066 CV     1
 ASSI {  119}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 21   and name HD1%)
      2.700     0.900     0.900 peak   119 spectrum    1 weight  0.10000E+01 volume  0.39228E-02 ppm1      8.710 ppm2      0.687 CV     1
 ASSI {  120}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 24   and name HD1%)
      2.800     1.000     1.000 peak   120 spectrum    1 weight  0.10000E+01 volume  0.39228E-02 ppm1      8.941 ppm2      0.589 CV     1
 ASSI {  121}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 12   and name HB% )
      2.600     0.900     0.900 peak   121 spectrum    1 weight  0.10000E+01 volume  0.38996E-02 ppm1      8.266 ppm2      1.525 CV     1
 ASSI {  123}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB  ))
      2.400     0.700     0.700 peak   123 spectrum    1 weight  0.10000E+01 volume  0.38535E-02 ppm1      8.863 ppm2      4.752 CV     1
 ASSI {  126}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HD2 ))
      2.800     2.800     3.200 peak   126 spectrum    1 weight  0.10000E+01 volume  0.36689E-02 ppm1      7.563 ppm2      2.652 CV     1
 ASSI {  127}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      2.600     0.800     0.800 peak   127 spectrum    1 weight  0.11000E+01 volume  0.36228E-02 ppm1      8.266 ppm2      4.307 CV     1
 ASSI {  128}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 32   and name HG2%)
      2.600     0.800     0.800 peak   128 spectrum    1 weight  0.10000E+01 volume  0.35996E-02 ppm1      7.818 ppm2      1.292 CV     1
 ASSI {  131}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      2.400     0.700     0.700 peak   131 spectrum    1 weight  0.10000E+01 volume  0.35304E-02 ppm1      8.962 ppm2      4.793 CV     1
 ASSI {  132}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.700     0.900     0.900 peak   132 spectrum    1 weight  0.10000E+01 volume  0.34843E-02 ppm1      7.860 ppm2      4.298 CV     1
 ASSI {  136}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.200     3.200     2.800 peak   136 spectrum    1 weight  0.10000E+01 volume  0.34382E-02 ppm1      7.781 ppm2      4.300 CV     1
 ASSI {  138}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA1 ))
      2.800     1.000     1.000 peak   138 spectrum    1 weight  0.10000E+01 volume  0.34151E-02 ppm1      8.614 ppm2      4.348 CV     1
 ASSI {  140}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HB  ))
      2.900     1.100     1.100 peak   140 spectrum    1 weight  0.10000E+01 volume  0.33459E-02 ppm1      9.788 ppm2      1.981 CV     1
 ASSI {  141}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 25   and name HG2 ))
      3.300     3.300     2.700 peak   141 spectrum    1 weight  0.10000E+01 volume  0.32997E-02 ppm1      8.874 ppm2      1.166 CV     1
 ASSI {  142}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HB2 ))
      2.500     0.800     0.800 peak   142 spectrum    1 weight  0.10000E+01 volume  0.32766E-02 ppm1      8.480 ppm2      2.649 CV     1
 ASSI {  148}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 95   and name HA2 ))
      2.600     2.600     3.400 peak   148 spectrum    1 weight  0.10000E+01 volume  0.31382E-02 ppm1      7.542 ppm2      3.777 CV     1
 ASSI {  150}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HB1 ))
      2.800     1.000     1.000 peak   150 spectrum    1 weight  0.10000E+01 volume  0.30690E-02 ppm1      8.327 ppm2      1.470 CV     1
 ASSI {  153}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 77   and name HG2%)
      3.200     1.300     1.300 peak   153 spectrum    1 weight  0.10000E+01 volume  0.30459E-02 ppm1      8.654 ppm2      0.836 CV     1
 ASSI {  158}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HB1 ))
      2.800     1.000     1.000 peak   158 spectrum    1 weight  0.10000E+01 volume  0.29536E-02 ppm1      7.329 ppm2      1.926 CV     1
 ASSI {  159}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      2.700     0.900     0.900 peak   159 spectrum    1 weight  0.10000E+01 volume  0.28844E-02 ppm1      8.489 ppm2      4.283 CV     1
 ASSI {  160}
   (( segid "    " and resid 47   and name HD21))
   (( segid "    " and resid 47   and name HB1 ))
      2.900     1.100     1.100 peak   160 spectrum    1 weight  0.11000E+01 volume  0.28844E-02 ppm1      7.632 ppm2      2.589 CV     1
 ASSI {  164}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 104  and name HG2%)
      2.800     1.000     1.000 peak   164 spectrum    1 weight  0.10000E+01 volume  0.28613E-02 ppm1      8.588 ppm2      0.406 CV     1
 ASSI {  166}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HG2 ))
      3.100     1.200     1.200 peak   166 spectrum    1 weight  0.10000E+01 volume  0.27921E-02 ppm1      8.408 ppm2      1.865 CV     1
 ASSI {  167}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      2.700     0.900     0.900 peak   167 spectrum    1 weight  0.11000E+01 volume  0.27459E-02 ppm1      7.956 ppm2      4.348 CV     1
 ASSI {  168}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 102  and name HB1 ))
      3.000     1.100     1.100 peak   168 spectrum    1 weight  0.10000E+01 volume  0.27228E-02 ppm1      9.218 ppm2      1.974 CV     1
 ASSI {  172}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      2.400     0.700     0.700 peak   172 spectrum    1 weight  0.11000E+01 volume  0.26305E-02 ppm1      7.781 ppm2      8.491 CV     1
 ASSI {  174}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HB1 ))
      3.500     1.500     1.500 peak   174 spectrum    1 weight  0.10000E+01 volume  0.26075E-02 ppm1      8.435 ppm2      1.467 CV     1
 ASSI {  175}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HA1 ))
      3.000     1.100     1.100 peak   175 spectrum    1 weight  0.11000E+01 volume  0.25844E-02 ppm1      8.642 ppm2      3.921 CV     1
 ASSI {  176}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HA2 ))
      2.600     0.800     0.800 peak   176 spectrum    1 weight  0.11000E+01 volume  0.25844E-02 ppm1      8.642 ppm2      3.182 CV     1
 ASSI {  179}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HB1 ))
      3.300     1.400     1.400 peak   179 spectrum    1 weight  0.10000E+01 volume  0.25152E-02 ppm1      7.417 ppm2      1.888 CV     1
 ASSI {  180}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 82   and name HG2%)
      3.200     1.200     1.200 peak   180 spectrum    1 weight  0.10000E+01 volume  0.24921E-02 ppm1      9.020 ppm2      0.957 CV     1
 ASSI {  192}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 50   and name HG1 ))
      3.600     3.600     2.400 peak   192 spectrum    1 weight  0.10000E+01 volume  0.23306E-02 ppm1      8.823 ppm2      2.776 CV     1
 ASSI {  196}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 58   and name HD% )
      3.000     1.100     1.100 peak   196 spectrum    1 weight  0.10000E+01 volume  0.23075E-02 ppm1      8.479 ppm2      6.799 CV     1
 ASSI {  197}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
      3.400     1.400     1.400 peak   197 spectrum    1 weight  0.10000E+01 volume  0.22936E-02 ppm1      9.582 ppm2      1.994 CV     1
 ASSI {  203}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      3.500     1.500     1.500 peak   203 spectrum    1 weight  0.10000E+01 volume  0.22175E-02 ppm1      8.917 ppm2      3.089 CV     1
 ASSI {  204}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HB2 ))
      3.000     1.100     1.100 peak   204 spectrum    1 weight  0.10000E+01 volume  0.22082E-02 ppm1      8.122 ppm2      2.649 CV     1
 ASSI {  208}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB  ))
      3.000     1.100     1.100 peak   208 spectrum    1 weight  0.10000E+01 volume  0.21598E-02 ppm1      8.892 ppm2      2.157 CV     1
 ASSI {  209}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      2.900     1.000     1.000 peak   209 spectrum    1 weight  0.11000E+01 volume  0.21529E-02 ppm1      8.498 ppm2      9.666 CV     1
 ASSI {  210}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      2.800     1.000     1.000 peak   210 spectrum    1 weight  0.11000E+01 volume  0.21160E-02 ppm1      8.642 ppm2      7.289 CV     1
 ASSI {  211}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 6    and name HG2%)
      3.900     1.900     1.900 peak   211 spectrum    1 weight  0.10000E+01 volume  0.21136E-02 ppm1      8.540 ppm2      1.093 CV     1
 ASSI {  214}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 36   and name HZ3 ))
      2.400     0.700     0.700 peak   214 spectrum    1 weight  0.10000E+01 volume  0.20975E-02 ppm1      9.218 ppm2      6.757 CV     1
 ASSI {  215}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 67   and name HB% )
      3.000     1.100     1.100 peak   215 spectrum    1 weight  0.10000E+01 volume  0.20883E-02 ppm1      8.337 ppm2      1.423 CV     1
 ASSI {  216}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.900     1.000     1.000 peak   216 spectrum    1 weight  0.10000E+01 volume  0.20790E-02 ppm1      7.905 ppm2      4.179 CV     1
 ASSI {  217}
   (( segid "    " and resid 107  and name HN  ))
   (  segid "    " and resid 105  and name HG1%)
      2.900     1.000     1.000 peak   217 spectrum    1 weight  0.10000E+01 volume  0.20767E-02 ppm1      9.182 ppm2      0.812 CV     1
 ASSI {  219}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      3.000     1.200     1.200 peak   219 spectrum    1 weight  0.10000E+01 volume  0.20513E-02 ppm1      7.677 ppm2      4.173 CV     1
 ASSI {  221}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 105  and name HG2%)
      3.200     1.300     1.300 peak   221 spectrum    1 weight  0.10000E+01 volume  0.20490E-02 ppm1      8.500 ppm2      0.708 CV     1
 ASSI {  223}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      3.200     1.300     1.300 peak   223 spectrum    1 weight  0.10000E+01 volume  0.20306E-02 ppm1      8.469 ppm2      1.227 CV     1
 ASSI {  226}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      3.000     1.100     1.100 peak   226 spectrum    1 weight  0.11000E+01 volume  0.19937E-02 ppm1      8.657 ppm2      7.701 CV     1
 ASSI {  228}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
      2.900     2.900     3.100 peak   228 spectrum    1 weight  0.11000E+01 volume  0.19152E-02 ppm1      9.065 ppm2      8.380 CV     1
 ASSI {  232}
   (( segid "    " and resid 25   and name HE21))
   (( segid "    " and resid 7    and name HB2 ))
      3.600     1.600     1.600 peak   232 spectrum    1 weight  0.10000E+01 volume  0.18160E-02 ppm1      7.237 ppm2      1.769 CV     1
 ASSI {  233}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 22   and name HB  ))
      3.500     1.500     1.500 peak   233 spectrum    1 weight  0.10000E+01 volume  0.17860E-02 ppm1      8.613 ppm2      1.992 CV     1
 ASSI {  234}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      2.900     1.100     1.100 peak   234 spectrum    1 weight  0.11000E+01 volume  0.17768E-02 ppm1      8.331 ppm2      4.314 CV     1
 ASSI {  236}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      2.800     1.000     1.000 peak   236 spectrum    1 weight  0.10000E+01 volume  0.17468E-02 ppm1      8.413 ppm2      1.602 CV     1
 ASSI {  238}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      2.800     1.000     1.000 peak   238 spectrum    1 weight  0.10000E+01 volume  0.17306E-02 ppm1      8.767 ppm2      5.378 CV     1
 ASSI {  240}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 90   and name HB1 ))
      3.500     1.500     1.500 peak   240 spectrum    1 weight  0.10000E+01 volume  0.17006E-02 ppm1      8.966 ppm2      1.705 CV     1
 ASSI {  241}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      2.900     1.000     1.000 peak   241 spectrum    1 weight  0.11000E+01 volume  0.16983E-02 ppm1      9.163 ppm2      4.061 CV     1
 ASSI {  242}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 52   and name HB  ))
      3.400     3.400     2.600 peak   242 spectrum    1 weight  0.10000E+01 volume  0.16960E-02 ppm1      7.330 ppm2      4.359 CV     1
 ASSI {  244}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.800     1.000     1.000 peak   244 spectrum    1 weight  0.10000E+01 volume  0.16499E-02 ppm1      7.905 ppm2      4.707 CV     1
 ASSI {  247}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HB2 ))
      3.000     1.200     1.200 peak   247 spectrum    1 weight  0.10000E+01 volume  0.16060E-02 ppm1      8.433 ppm2      2.582 CV     1
 ASSI {  249}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      3.600     3.600     2.400 peak   249 spectrum    1 weight  0.10000E+01 volume  0.15876E-02 ppm1      7.879 ppm2      4.611 CV     1
 ASSI {  253}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 31   and name HG2%)
      3.000     1.100     1.100 peak   253 spectrum    1 weight  0.10000E+01 volume  0.15622E-02 ppm1      7.905 ppm2      1.320 CV     1
 ASSI {  254}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HG1 ))
      3.800     1.800     1.800 peak   254 spectrum    1 weight  0.10000E+01 volume  0.15553E-02 ppm1      8.801 ppm2      1.989 CV     1
 ASSI {  258}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      3.400     1.400     1.400 peak   258 spectrum    1 weight  0.10000E+01 volume  0.15391E-02 ppm1      8.389 ppm2      5.044 CV     1
 ASSI {  259}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      3.200     1.300     1.300 peak   259 spectrum    1 weight  0.11000E+01 volume  0.15345E-02 ppm1      7.988 ppm2      9.024 CV     1
 ASSI {  261}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      2.800     1.000     1.000 peak   261 spectrum    1 weight  0.10000E+01 volume  0.15229E-02 ppm1      8.434 ppm2      5.021 CV     1
 ASSI {  263}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 50   and name HE% )
      3.600     3.600     2.400 peak   263 spectrum    1 weight  0.10000E+01 volume  0.15022E-02 ppm1      7.989 ppm2      1.982 CV     1
 ASSI {  273}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
      3.300     1.400     1.400 peak   273 spectrum    1 weight  0.10000E+01 volume  0.14445E-02 ppm1      9.299 ppm2      1.958 CV     1
 ASSI {  276}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 95   and name HA1 ))
      3.400     1.500     1.500 peak   276 spectrum    1 weight  0.10000E+01 volume  0.14076E-02 ppm1      6.751 ppm2      4.239 CV     1
 ASSI {  279}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      2.800     1.000     1.000 peak   279 spectrum    1 weight  0.10000E+01 volume  0.13753E-02 ppm1      9.102 ppm2      2.547 CV     1
 ASSI {  280}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 53   and name HG1%)
      3.200     1.300     1.300 peak   280 spectrum    1 weight  0.10000E+01 volume  0.13730E-02 ppm1      8.266 ppm2      1.316 CV     1
 ASSI {  290}
   (( segid "    " and resid 86   and name HD22))
   (  segid "    " and resid 84   and name HB% )
      3.200     1.200     1.200 peak   290 spectrum    1 weight  0.10000E+01 volume  0.12691E-02 ppm1      6.628 ppm2      1.338 CV     1
 ASSI {  292}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 92   and name HB1 ))
      3.900     1.900     1.900 peak   292 spectrum    1 weight  0.10000E+01 volume  0.12391E-02 ppm1      6.881 ppm2      1.698 CV     1
 ASSI {  294}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      3.600     1.600     1.600 peak   294 spectrum    1 weight  0.11000E+01 volume  0.12345E-02 ppm1      9.242 ppm2      8.506 CV     1
 ASSI {  296}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HB1 ))
      3.300     1.300     1.300 peak   296 spectrum    1 weight  0.10000E+01 volume  0.12114E-02 ppm1      8.657 ppm2      1.576 CV     1
 ASSI {  297}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 72   and name HD2 ))
      3.500     1.500     1.500 peak   297 spectrum    1 weight  0.10000E+01 volume  0.12091E-02 ppm1      8.389 ppm2      6.750 CV     1
 ASSI {  298}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 43   and name HB1 ))
      3.800     3.800     2.200 peak   298 spectrum    1 weight  0.10000E+01 volume  0.11722E-02 ppm1      8.912 ppm2      2.169 CV     1
 ASSI {  299}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HD2 ))
      2.800     1.000     1.000 peak   299 spectrum    1 weight  0.10000E+01 volume  0.11699E-02 ppm1      9.304 ppm2      6.744 CV     1
 ASSI {  300}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      3.100     1.200     1.200 peak   300 spectrum    1 weight  0.11000E+01 volume  0.11630E-02 ppm1      8.894 ppm2      5.370 CV     1
 ASSI {  302}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HB1 ))
      3.200     1.200     1.200 peak   302 spectrum    1 weight  0.10000E+01 volume  0.11561E-02 ppm1      8.604 ppm2      3.727 CV     1
 ASSI {  303}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 90   and name HE% )
      4.300     2.400     1.700 peak   303 spectrum    1 weight  0.10000E+01 volume  0.11491E-02 ppm1      8.642 ppm2      1.847 CV     1
 ASSI {  307}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      3.100     3.100     2.900 peak   307 spectrum    1 weight  0.11000E+01 volume  0.10891E-02 ppm1      9.058 ppm2      9.716 CV     1
 ASSI {  309}
   (( segid "    " and resid 110  and name HD21))
   (( segid "    " and resid 110  and name HB2 ))
      3.300     1.400     1.400 peak   309 spectrum    1 weight  0.11000E+01 volume  0.10776E-02 ppm1      7.516 ppm2      2.632 CV     1
 ASSI {  310}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      3.700     3.700     2.300 peak   310 spectrum    1 weight  0.10000E+01 volume  0.10637E-02 ppm1      8.393 ppm2      7.745 CV     1
 ASSI {  311}
   (( segid "    " and resid 29   and name HD22))
   (( segid "    " and resid 10   and name HB2 ))
      4.000     4.000     2.000 peak   311 spectrum    1 weight  0.11000E+01 volume  0.10568E-02 ppm1      6.980 ppm2      2.942 CV     1
 ASSI {  313}
   (( segid "    " and resid 86   and name HD22))
   (( segid "    " and resid 86   and name HB1 ))
      3.800     1.800     1.800 peak   313 spectrum    1 weight  0.10000E+01 volume  0.10453E-02 ppm1      6.627 ppm2      2.698 CV     1
 ASSI {  314}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 91   and name HB2 ))
      2.600     0.800     0.800 peak   314 spectrum    1 weight  0.10000E+01 volume  0.10430E-02 ppm1      7.630 ppm2      0.017 CV     1
 ASSI {  317}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      2.800     1.000     1.000 peak   317 spectrum    1 weight  0.11000E+01 volume  0.10176E-02 ppm1      9.306 ppm2      5.688 CV     1
 ASSI {  318}
   (( segid "    " and resid 36   and name HE1 ))
   (( segid "    " and resid 27   and name HD1 ))
      2.100     2.100     3.900 peak   318 spectrum    1 weight  0.10000E+01 volume  0.10130E-02 ppm1     10.267 ppm2      4.048 CV     1
 ASSI {  320}
   (( segid "    " and resid 9   and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      4.400     2.400     1.600 peak   320 spectrum    1 weight  0.10000E+01 volume  0.10037E-02 ppm1      8.171 ppm2      4.410 CV     1
 ASSI {  322}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      3.900     1.900     1.900 peak   322 spectrum    1 weight  0.10000E+01 volume  0.99450E-03 ppm1      8.959 ppm2      2.505 CV     1
 ASSI {  324}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
      3.000     1.100     1.100 peak   324 spectrum    1 weight  0.10000E+01 volume  0.98297E-03 ppm1      9.583 ppm2      3.861 CV     1
 ASSI {  325}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 95   and name HA2 ))
      4.200     2.300     1.800 peak   325 spectrum    1 weight  0.10000E+01 volume  0.98297E-03 ppm1      7.549 ppm2      3.793 CV     1
 ASSI {  331}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HD2 ))
      3.200     1.300     1.300 peak   331 spectrum    1 weight  0.10000E+01 volume  0.93219E-03 ppm1      9.590 ppm2      6.810 CV     1
 ASSI {  334}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 18   and name HG1%)
      3.700     1.800     1.800 peak   334 spectrum    1 weight  0.10000E+01 volume  0.91377E-03 ppm1      8.446 ppm2      0.759 CV     1
 ASSI {  340}
   (( segid "    " and resid 87   and name HN  ))
   (  segid "    " and resid 85   and name HG1%)
      3.800     1.800     1.800 peak   340 spectrum    1 weight  0.10000E+01 volume  0.80070E-03 ppm1      9.336 ppm2      0.603 CV     1
 ASSI {  343}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 36   and name HZ3 ))
      2.100     2.100     3.900 peak   343 spectrum    1 weight  0.10000E+01 volume  0.76608E-03 ppm1      7.558 ppm2      6.774 CV     1
 ASSI {  347}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 105  and name HB  ))
      4.400     2.400     1.600 peak   347 spectrum    1 weight  0.10000E+01 volume  0.71302E-03 ppm1     10.246 ppm2      1.816 CV     1
 ASSI {  350}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      3.700     1.700     1.700 peak   350 spectrum    1 weight  0.10000E+01 volume  0.69225E-03 ppm1      8.056 ppm2      8.693 CV     1
 ASSI {  351}
   (( segid "    " and resid 29   and name HD21))
   (  segid "    " and resid 31   and name HG2%)
      3.800     1.800     1.800 peak   351 spectrum    1 weight  0.10000E+01 volume  0.69225E-03 ppm1      7.744 ppm2      1.279 CV     1
 ASSI {  352}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 48   and name HB1 ))
      3.900     1.900     1.900 peak   352 spectrum    1 weight  0.10000E+01 volume  0.68533E-03 ppm1      7.562 ppm2      1.910 CV     1
 ASSI {  353}
   (( segid "    " and resid 90   and name HN  ))
   (  segid "    " and resid 37   and name HE% )
      4.100     2.100     1.900 peak   353 spectrum    1 weight  0.10000E+01 volume  0.68302E-03 ppm1      8.966 ppm2      6.751 CV     1
 ASSI {  359}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 71   and name HG2 ))
      4.700     2.800     1.300 peak   359 spectrum    1 weight  0.10000E+01 volume  0.65071E-03 ppm1      8.334 ppm2      2.334 CV     1
 ASSI {  360}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
      3.900     3.900     2.100 peak   360 spectrum    1 weight  0.10000E+01 volume  0.64148E-03 ppm1      8.823 ppm2      3.987 CV     1
 ASSI {  361}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 35   and name HB% )
      4.900     3.000     1.100 peak   361 spectrum    1 weight  0.10000E+01 volume  0.63225E-03 ppm1      8.640 ppm2      1.278 CV     1
 ASSI {  362}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 35   and name HB% )
      3.600     1.600     1.600 peak   362 spectrum    1 weight  0.10000E+01 volume  0.62764E-03 ppm1      7.858 ppm2      1.260 CV     1
 ASSI {  367}
   (( segid "    " and resid 93   and name HE1 ))
   (( segid "    " and resid 91   and name HD1 ))
      3.500     1.500     1.500 peak   367 spectrum    1 weight  0.10000E+01 volume  0.58610E-03 ppm1     10.250 ppm2      2.589 CV     1
 ASSI {  369}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 82   and name HG2%)
      4.300     2.300     1.700 peak   369 spectrum    1 weight  0.10000E+01 volume  0.58379E-03 ppm1      8.123 ppm2      0.958 CV     1
 ASSI {  371}
   (( segid "    " and resid 25   and name HE22))
   (( segid "    " and resid 7    and name HD1 ))
      4.700     2.700     1.300 peak   371 spectrum    1 weight  0.10000E+01 volume  0.57456E-03 ppm1      6.641 ppm2      1.686 CV     1
 ASSI {  372}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 3    and name HE1 ))
      3.900     1.900     1.900 peak   372 spectrum    1 weight  0.10000E+01 volume  0.56534E-03 ppm1      8.941 ppm2      8.296 CV     1
 ASSI {  374}
   (( segid "    " and resid 29   and name HD22))
   (  segid "    " and resid 31   and name HG2%)
      4.200     2.200     1.800 peak   374 spectrum    1 weight  0.10000E+01 volume  0.55149E-03 ppm1      6.972 ppm2      1.325 CV     1
 ASSI {  376}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 106  and name HB1 ))
      4.700     2.700     1.300 peak   376 spectrum    1 weight  0.10000E+01 volume  0.54457E-03 ppm1      8.603 ppm2      3.153 CV     1
 ASSI {  378}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      3.500     1.500     1.500 peak   378 spectrum    1 weight  0.10000E+01 volume  0.52610E-03 ppm1      7.549 ppm2      0.738 CV     1
 ASSI {  383}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      4.200     2.200     1.800 peak   383 spectrum    1 weight  0.10000E+01 volume  0.50072E-03 ppm1      9.069 ppm2      4.009 CV     1
 ASSI {  385}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HD2 ))
      4.800     2.900     1.200 peak   385 spectrum    1 weight  0.10000E+01 volume  0.48688E-03 ppm1      9.020 ppm2      6.735 CV     1
 ASSI {  388}
   (( segid "    " and resid 9   and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      3.800     1.800     1.800 peak   388 spectrum    1 weight  0.11000E+01 volume  0.47534E-03 ppm1      8.172 ppm2     10.245 CV     1
 ASSI {  389}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA2 ))
      3.500     1.500     1.500 peak   389 spectrum    1 weight  0.10000E+01 volume  0.47534E-03 ppm1      8.498 ppm2      3.330 CV     1
 ASSI {  392}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 58   and name HB2 ))
      3.700     1.700     1.700 peak   392 spectrum    1 weight  0.10000E+01 volume  0.45688E-03 ppm1      8.388 ppm2      2.648 CV     1
 ASSI {  400}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 100  and name HN  ))
      4.000     2.000     2.000 peak   400 spectrum    1 weight  0.10000E+01 volume  0.40612E-03 ppm1      8.802 ppm2      7.559 CV     1
 ASSI {  401}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
      4.600     2.600     1.400 peak   401 spectrum    1 weight  0.10000E+01 volume  0.40612E-03 ppm1      8.332 ppm2      1.010 CV     1
 ASSI {  407}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 60   and name HG1 ))
      3.900     1.900     1.900 peak   407 spectrum    1 weight  0.10000E+01 volume  0.38304E-03 ppm1      8.337 ppm2      1.993 CV     1
 ASSI {  409}
   (( segid "    " and resid 110  and name HD22))
   (( segid "    " and resid 108  and name HG1 ))
      4.600     2.700     1.400 peak   409 spectrum    1 weight  0.10000E+01 volume  0.38073E-03 ppm1      6.667 ppm2      1.225 CV     1
 ASSI {  410}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.400     2.400     3.600 peak   410 spectrum    1 weight  0.10000E+01 volume  0.37612E-03 ppm1      8.222 ppm2      5.571 CV     1
 ASSI {  412}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 60   and name HG1 ))
      3.700     1.700     1.700 peak   412 spectrum    1 weight  0.10000E+01 volume  0.37381E-03 ppm1      8.218 ppm2      1.969 CV     1
 ASSI {  414}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HD1 ))
      4.100     2.100     1.900 peak   414 spectrum    1 weight  0.10000E+01 volume  0.36689E-03 ppm1      8.487 ppm2      3.686 CV     1
 ASSI {  415}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 99  and name HB2 ))
      4.400     2.400     1.600 peak   415 spectrum    1 weight  0.10000E+01 volume  0.36459E-03 ppm1      7.628 ppm2      2.549 CV     1
 ASSI {  431}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      4.500     2.600     1.500 peak   431 spectrum    1 weight  0.10000E+01 volume  0.30690E-03 ppm1      9.783 ppm2      8.669 CV     1
 ASSI {  432}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 89   and name HB2 ))
      5.300     3.500     0.700 peak   432 spectrum    1 weight  0.11000E+01 volume  0.30228E-03 ppm1      8.669 ppm2      0.044 CV     1
 ASSI {  433}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 27   and name HD1 ))
      5.000     3.200     1.000 peak   433 spectrum    1 weight  0.10000E+01 volume  0.30228E-03 ppm1      8.206 ppm2      4.004 CV     1
 ASSI {  437}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      4.400     4.400     1.600 peak   437 spectrum    1 weight  0.11000E+01 volume  0.29074E-03 ppm1      8.266 ppm2      9.327 CV     1
 ASSI {  440}
   (( segid "    " and resid 25   and name HE21))
   (( segid "    " and resid 26   and name HA  ))
      3.500     1.500     1.500 peak   440 spectrum    1 weight  0.10000E+01 volume  0.28152E-03 ppm1      7.238 ppm2      4.753 CV     1
 ASSI {  441}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 51   and name HD% )
      4.700     2.800     1.300 peak   441 spectrum    1 weight  0.10000E+01 volume  0.28152E-03 ppm1      8.825 ppm2      6.652 CV     1
 ASSI {  443}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 89   and name HB2 ))
      5.200     3.300     0.800 peak   443 spectrum    1 weight  0.11000E+01 volume  0.27921E-03 ppm1      8.962 ppm2      0.020 CV     1
 ASSI {  445}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      4.500     2.500     1.500 peak   445 spectrum    1 weight  0.10000E+01 volume  0.27228E-03 ppm1      9.385 ppm2      8.639 CV     1
 ASSI {  449}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      4.100     2.100     1.900 peak   449 spectrum    1 weight  0.10000E+01 volume  0.26536E-03 ppm1      8.863 ppm2      7.880 CV     1
 ASSI {  450}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 5    and name HG2%)
      5.300     3.500     0.700 peak   450 spectrum    1 weight  0.10000E+01 volume  0.25844E-03 ppm1      9.672 ppm2      0.573 CV     1
 ASSI {  452}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      2.600     2.600     3.400 peak   452 spectrum    1 weight  0.10000E+01 volume  0.25613E-03 ppm1      7.316 ppm2      3.817 CV     1
 ASSI {  459}
   (( segid "    " and resid 110  and name HN  ))
   (  segid "    " and resid 22   and name HG2%)
      2.600     2.600     3.400 peak   459 spectrum    1 weight  0.10000E+01 volume  0.23028E-03 ppm1      8.122 ppm2      0.652 CV     1
 ASSI {  460}
   (( segid "    " and resid 36   and name HE1 ))
   (( segid "    " and resid 27   and name HG2 ))
      4.600     2.700     1.400 peak   460 spectrum    1 weight  0.10000E+01 volume  0.21482E-03 ppm1     10.265 ppm2      2.048 CV     1
 ASSI {  461}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 1    and name HB1 ))
      4.200     2.200     1.800 peak   461 spectrum    1 weight  0.10000E+01 volume  0.21414E-03 ppm1      8.715 ppm2      3.713 CV     1
 ASSI {  463}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 36   and name HZ3 ))
      5.400     3.700     0.600 peak   463 spectrum    1 weight  0.10000E+01 volume  0.20952E-03 ppm1      9.336 ppm2      6.788 CV     1
 ASSI {  464}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 83   and name HD2 ))
      5.000     3.100     1.000 peak   464 spectrum    1 weight  0.10000E+01 volume  0.20421E-03 ppm1      9.063 ppm2      6.717 CV     1
 ASSI {  468}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 102  and name HD1 ))
      5.400     3.600     0.600 peak   468 spectrum    1 weight  0.10000E+01 volume  0.20029E-03 ppm1      8.491 ppm2      3.133 CV     1
 ASSI {  470}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 61   and name HB1 ))
      4.300     2.300     1.700 peak   470 spectrum    1 weight  0.10000E+01 volume  0.19868E-03 ppm1      7.780 ppm2      2.651 CV     1
 ASSI {  473}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      4.500     2.600     1.500 peak   473 spectrum    1 weight  0.11000E+01 volume  0.19591E-03 ppm1     10.242 ppm2      8.911 CV     1
 ASSI {  479}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      4.600     2.700     1.400 peak   479 spectrum    1 weight  0.10000E+01 volume  0.18391E-03 ppm1      9.395 ppm2      2.534 CV     1
 ASSI {  482}
   (( segid "    " and resid 100  and name HN  ))
   (  segid "    " and resid 88   and name HG2%)
      5.500     3.800     0.500 peak   482 spectrum    1 weight  0.10000E+01 volume  0.18114E-03 ppm1      7.540 ppm2      1.096 CV     1
 ASSI {  486}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 9   and name HB2 ))
      5.000     3.200     1.000 peak   486 spectrum    1 weight  0.10000E+01 volume  0.17837E-03 ppm1      7.872 ppm2      3.315 CV     1
 ASSI {  489}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      4.300     2.300     1.700 peak   489 spectrum    1 weight  0.10000E+01 volume  0.17445E-03 ppm1      8.712 ppm2      4.852 CV     1
 ASSI {  490}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HD21))
      4.400     2.400     1.600 peak   490 spectrum    1 weight  0.10000E+01 volume  0.17398E-03 ppm1      9.064 ppm2      7.499 CV     1
 ASSI {  491}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 84   and name HB% )
      5.200     3.400     0.800 peak   491 spectrum    1 weight  0.10000E+01 volume  0.16868E-03 ppm1      8.764 ppm2      1.369 CV     1
 ASSI {  492}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HB  ))
      4.800     2.900     1.200 peak   492 spectrum    1 weight  0.10000E+01 volume  0.16798E-03 ppm1      9.013 ppm2      3.849 CV     1
 ASSI {  494}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 36   and name HH2 ))
      4.600     2.700     1.400 peak   494 spectrum    1 weight  0.10000E+01 volume  0.16314E-03 ppm1      8.487 ppm2      6.792 CV     1
 ASSI {  496}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 22   and name HB  ))
      4.400     2.400     1.600 peak   496 spectrum    1 weight  0.10000E+01 volume  0.15829E-03 ppm1      8.711 ppm2      1.960 CV     1
 ASSI {  497}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 89   and name HD% )
      5.200     3.300     0.800 peak   497 spectrum    1 weight  0.10000E+01 volume  0.15252E-03 ppm1      7.904 ppm2      5.557 CV     1
 ASSI {  500}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HG12))
      4.600     2.700     1.400 peak   500 spectrum    1 weight  0.10000E+01 volume  0.14537E-03 ppm1      9.056 ppm2      0.611 CV     1
 OR {  500}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 24   and name HD1%)
 ASSI {  507}
   (( segid "    " and resid 90   and name HN  ))
   (  segid "    " and resid 89   and name HD% )
      5.500     3.800     0.500 peak   507 spectrum    1 weight  0.10000E+01 volume  0.13545E-03 ppm1      8.970 ppm2      5.566 CV     1
 ASSI {  509}
   (( segid "    " and resid 25   and name HE22))
   (( segid "    " and resid 26   and name HA  ))
      5.200     3.400     0.800 peak   509 spectrum    1 weight  0.10000E+01 volume  0.13360E-03 ppm1      6.642 ppm2      4.743 CV     1
 ASSI {  512}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 75   and name HG2%)
      5.400     3.600     0.600 peak   512 spectrum    1 weight  0.10000E+01 volume  0.12876E-03 ppm1      8.896 ppm2      0.617 CV     1
 ASSI {  514}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HA1 ))
      4.900     4.900     1.100 peak   514 spectrum    1 weight  0.11000E+01 volume  0.12622E-03 ppm1      7.291 ppm2      3.859 CV     1
 ASSI {  515}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
      5.700     4.100     0.300 peak   515 spectrum    1 weight  0.10000E+01 volume  0.12507E-03 ppm1      8.489 ppm2      1.952 CV     1
 ASSI {  518}
   (( segid "    " and resid 29   and name HD22))
   (( segid "    " and resid 28   and name HB1 ))
      5.500     3.800     0.500 peak   518 spectrum    1 weight  0.10000E+01 volume  0.11815E-03 ppm1      6.976 ppm2      4.119 CV     1
 ASSI {  519}
   (( segid "    " and resid 93   and name HE1 ))
   (( segid "    " and resid 91   and name HB2 ))
      5.900     4.400     0.100 peak   519 spectrum    1 weight  0.10000E+01 volume  0.11699E-03 ppm1     10.252 ppm2      0.048 CV     1
 ASSI {  520}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      5.400     3.700     0.600 peak   520 spectrum    1 weight  0.10000E+01 volume  0.11422E-03 ppm1      8.499 ppm2      7.290 CV     1
 ASSI {  522}
   (( segid "    " and resid 101  and name HN  ))
   (  segid "    " and resid 89   and name HD% )
      4.800     2.900     1.200 peak   522 spectrum    1 weight  0.10000E+01 volume  0.11307E-03 ppm1      8.670 ppm2      5.560 CV     1
 ASSI {  523}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 31   and name HG2%)
      5.400     3.600     0.600 peak   523 spectrum    1 weight  0.10000E+01 volume  0.10891E-03 ppm1      8.207 ppm2      1.316 CV     1
 ASSI {  525}
   (( segid "    " and resid 29   and name HD21))
   (( segid "    " and resid 28   and name HB1 ))
      5.400     3.600     0.600 peak   525 spectrum    1 weight  0.10000E+01 volume  0.10615E-03 ppm1      7.744 ppm2      4.082 CV     1
 ASSI {  526}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 22   and name HB  ))
      3.000     3.000     3.000 peak   526 spectrum    1 weight  0.10000E+01 volume  0.10591E-03 ppm1      8.125 ppm2      1.938 CV     1
 ASSI {  531}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 90   and name HB1 ))
      6.000     4.700     0.000 peak   531 spectrum    1 weight  0.10000E+01 volume  0.89991E-04 ppm1      7.584 ppm2      1.754 CV     1
 ASSI {  534}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      5.600     3.900     0.400 peak   534 spectrum    1 weight  0.11000E+01 volume  0.84454E-04 ppm1      7.419 ppm2      8.795 CV     1
 ASSI {  535}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 74   and name HD2 ))
      5.700     4.100     0.300 peak   535 spectrum    1 weight  0.10000E+01 volume  0.81915E-04 ppm1      8.329 ppm2      6.787 CV     1
 ASSI {  538}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 85   and name HG1%)
      6.000     4.700     0.000 peak   538 spectrum    1 weight  0.10000E+01 volume  0.68533E-04 ppm1      9.603 ppm2      0.559 CV     1
 ASSI {  540}
   (( segid "    " and resid 93   and name HE1 ))
   (  segid "    " and resid 94   and name HG2%)
      5.200     3.400     0.800 peak   540 spectrum    1 weight  0.10000E+01 volume  0.65071E-04 ppm1     10.252 ppm2      0.828 CV     1
 ASSI {  543}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 5    and name HG1%)
      6.000     4.700     0.000 peak   543 spectrum    1 weight  0.10000E+01 volume  0.61379E-04 ppm1      7.255 ppm2      0.839 CV     1
 ASSI {  545}
   (( segid "    " and resid 47   and name HD21))
   (( segid "    " and resid 110  and name HA  ))
      5.600     3.900     0.400 peak   545 spectrum    1 weight  0.10000E+01 volume  0.55149E-04 ppm1      7.633 ppm2      4.525 CV     1
 ASSI {  546}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      6.000     6.000     0.000 peak   546 spectrum    1 weight  0.11000E+01 volume  0.54226E-04 ppm1      7.336 ppm2      8.925 CV     1
 ASSI {  547}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 90   and name HG2 ))
      6.000     5.600     0.000 peak   547 spectrum    1 weight  0.10000E+01 volume  0.48457E-04 ppm1      9.107 ppm2      1.765 CV     1
 ASSI {  548}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 30   and name HG2 ))
      5.500     3.800     0.500 peak   548 spectrum    1 weight  0.10000E+01 volume  0.48227E-04 ppm1      8.220 ppm2      1.281 CV     1
 ASSI {  551}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 65   and name HD1%)
      5.700     4.100     0.300 peak   551 spectrum    1 weight  0.10000E+01 volume  0.37151E-04 ppm1      8.656 ppm2      0.876 CV     1
 ASSI {  553}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 90   and name HB1 ))
      6.000     4.600     0.000 peak   553 spectrum    1 weight  0.10000E+01 volume  0.35535E-04 ppm1      6.750 ppm2      1.710 CV     1
 ASSI {  554}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 59   and name HG1 ))
      6.000     4.700     0.000 peak   554 spectrum    1 weight  0.10000E+01 volume  0.32074E-04 ppm1      8.384 ppm2      2.040 CV     1
 ASSI {  557}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 91   and name HB1 ))
      5.700     4.100     0.300 peak   557 spectrum    1 weight  0.10000E+01 volume  0.18713E-04 ppm1      6.880 ppm2      0.742 CV     1
 ASSI {  558}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 21   and name HB1 ))
      6.000     5.300     0.000 peak   558 spectrum    1 weight  0.10000E+01 volume  0.14029E-04 ppm1      8.337 ppm2      1.586 CV     1

!ambiguous restraints
 ASSI {    2}
   (  segid "    " and resid 105  and name HG1%)
   (( segid "    " and resid 85   and name HN  ))
      5.700     4.100     0.300 peak     2 spectrum    1 weight  0.10000E+01 volume  0.41505E-04 ppm1      0.822 ppm2      8.613 CV     1
 OR {    2}
   (  segid "    " and resid 105  and name HG1%)
   (( segid "    " and resid 106  and name HN  ))
 ASSI {   14}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 24   and name HN  ))
      6.000     5.300     0.000 peak    14 spectrum    1 weight  0.10000E+01 volume  0.45787E-04 ppm1      0.660 ppm2      9.085 CV     1
 OR {   14}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 109  and name HN  ))
 ASSI {   16}
   (( segid "    " and resid 87   and name HG  ))
   (( segid "    " and resid 87   and name HN  ))
      4.700     2.800     1.300 peak    16 spectrum    1 weight  0.10000E+01 volume  0.96662E-04 ppm1      0.652 ppm2      9.342 CV     1
 OR {   16}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 22   and name HN  ))
 ASSI {   77}
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 24   and name HN  ))
      2.600     0.800     0.800 peak    77 spectrum    1 weight  0.10000E+01 volume  0.26497E-02 ppm1      1.777 ppm2      9.082 CV     1
 OR {   77}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 24   and name HN  ))
 ASSI {   90}
   (( segid "    " and resid 14   and name HG  ))
   (( segid "    " and resid 14   and name HN  ))
      4.600     2.600     1.400 peak    90 spectrum    1 weight  0.10000E+01 volume  0.23402E-03 ppm1      1.350 ppm2      9.208 CV     1
 OR {   90}
   (  segid "    " and resid 84   and name HB% )
   (( segid "    " and resid 107  and name HN  ))
 ASSI {   93}
   (  segid "    " and resid 109  and name HB% )
   (( segid "    " and resid 16   and name HN  ))
      5.200     3.300     0.800 peak    93 spectrum    1 weight  0.10000E+01 volume  0.18781E-03 ppm1      1.323 ppm2      8.660 CV     1
 OR {   93}
   (  segid "    " and resid 84   and name HB% )
   (( segid "    " and resid 106  and name HN  ))
 ASSI {  106}
   (( segid "    " and resid 106  and name HB1 ))
   (( segid "    " and resid 107  and name HN  ))
      6.000     4.500     0.000 peak   106 spectrum    1 weight  0.10000E+01 volume  0.65289E-04 ppm1      3.147 ppm2      9.206 CV     1
 OR {  106}
   (( segid "    " and resid 106  and name HB1 ))
   (( segid "    " and resid 14   and name HN  ))
 ASSI {  115}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 90   and name HA  ))
      4.400     2.400     1.600 peak   115 spectrum    1 weight  0.10000E+01 volume  0.30228E-03 ppm1      4.303 ppm2      4.644 CV     1
 OR {  115}
   (( segid "    " and resid 40   and name HA1 ))
   (( segid "    " and resid 90   and name HA  ))
 ASSI {  116}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 90   and name HA  ))
      4.800     2.800     1.200 peak   116 spectrum    1 weight  0.10000E+01 volume  0.18357E-03 ppm1      4.411 ppm2      4.642 CV     1
 OR {  116}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 3    and name HA  ))
 ASSI {  135}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 108  and name HN  ))
      2.200     0.600     0.600 peak   135 spectrum    1 weight  0.10000E+01 volume  0.55962E-02 ppm1      4.958 ppm2      9.158 CV     1
 OR {  135}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 108  and name HN  ))
 ASSI {  140}
   (  segid "    " and resid 26   and name HD2%)
   (  segid "    " and resid 85   and name HG1%)
      4.900     3.000     1.100 peak   140 spectrum    1 weight  0.10000E+01 volume  0.27726E-03 ppm1     -1.276 ppm2      0.597 CV     1
 OR {  140}
   (  segid "    " and resid 26   and name HD2%)
   (  segid "    " and resid 24   and name HD1%)
 ASSI {  147}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 24   and name HD1%)
      5.000     3.100     1.000 peak   147 spectrum    1 weight  0.10000E+01 volume  0.24802E-03 ppm1     -0.654 ppm2      0.601 CV     1
 OR {  147}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 85   and name HG1%)
 ASSI {  171}
   (  segid "    " and resid 73   and name HD% )
   (( segid "    " and resid 24   and name HN  ))
      4.300     2.300     1.700 peak   171 spectrum    1 weight  0.10000E+01 volume  0.37308E-03 ppm1      6.885 ppm2      9.090 CV     1
 OR {  171}
   (  segid "    " and resid 73   and name HD% )
   (( segid "    " and resid 37   and name HN  ))
 ASSI {  195}
   (( segid "    " and resid 74   and name HD2 ))
   (( segid "    " and resid 74   and name HE1 ))
      4.000     2.000     2.000 peak   195 spectrum    1 weight  0.10000E+01 volume  0.66561E-03 ppm1      6.734 ppm2      7.791 CV     1
 OR {  195}
   (( segid "    " and resid 83   and name HD2 ))
   (( segid "    " and resid 83   and name HE1 ))
 ASSI {  236}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 83   and name HD2 ))
      5.300     3.500     0.700 peak   236 spectrum    1 weight  0.10000E+01 volume  0.13651E-03 ppm1      3.997 ppm2      6.730 CV     1
 OR {  236}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 36   and name HH2 ))
 OR {  236}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 36   and name HZ3 ))
 ASSI {  243}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 103  and name HE% )
      2.800     2.800     3.200 peak   243 spectrum    1 weight  0.10000E+01 volume  0.31415E-02 ppm1      3.914 ppm2      6.921 CV     1
 OR {  243}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 36   and name HZ2 ))
 ASSI {  252}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 51   and name HE% )
      4.800     2.900     1.200 peak   252 spectrum    1 weight  0.10000E+01 volume  0.34765E-03 ppm1      3.829 ppm2      7.109 CV     1
 OR {  252}
   (( segid "    " and resid 34   and name HA  ))
   (  segid "    " and resid 34   and name HE% )
 ASSI {  287}
   (( segid "    " and resid 11   and name HA2 ))
   (  segid "    " and resid 106  and name HD% )
      3.500     1.500     1.500 peak   287 spectrum    1 weight  0.10000E+01 volume  0.12253E-02 ppm1      3.349 ppm2      6.693 CV     1
 OR {  287}
   (( segid "    " and resid 27   and name HD2 ))
   (  segid "    " and resid 103  and name HD% )
 ASSI {  312}
   (( segid "    " and resid 38   and name HB2 ))
   (  segid "    " and resid 38   and name HE% )
      3.800     1.800     1.800 peak   312 spectrum    1 weight  0.10000E+01 volume  0.98779E-03 ppm1      3.119 ppm2      6.891 CV     1
 OR {  312}
   (( segid "    " and resid 57   and name HB1 ))
   (  segid "    " and resid 57   and name HE% )
 ASSI {  314}
   (( segid "    " and resid 36   and name HB1 ))
   (  segid "    " and resid 73   and name HD% )
      2.900     2.900     3.100 peak   314 spectrum    1 weight  0.10000E+01 volume  0.30567E-02 ppm1      3.095 ppm2      6.842 CV     1
 OR {  314}
   (( segid "    " and resid 57   and name HB1 ))
   (  segid "    " and resid 58   and name HD% )
 ASSI {  331}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 74   and name HD2 ))
      3.900     1.900     1.900 peak   331 spectrum    1 weight  0.10000E+01 volume  0.77160E-03 ppm1      5.575 ppm2      6.721 CV     1
 OR {  331}
   (  segid "    " and resid 89   and name HD% )
   (( segid "    " and resid 36   and name HZ3 ))
 ASSI {  341}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HD2 ))
      3.200     1.300     1.300 peak   341 spectrum    1 weight  0.10000E+01 volume  0.11192E-02 ppm1      5.328 ppm2      6.696 CV     1
 OR {  341}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 106  and name HD% )
 ASSI {  347}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 51   and name HD% )
      2.600     0.800     0.800 peak   347 spectrum    1 weight  0.10000E+01 volume  0.35061E-02 ppm1      5.096 ppm2      6.695 CV     1
 OR {  347}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 72   and name HD2 ))
 ASSI {  350}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 36   and name HD1 ))
      5.100     3.300     0.900 peak   350 spectrum    1 weight  0.10000E+01 volume  0.29677E-03 ppm1      5.075 ppm2      7.416 CV     1
 OR {  350}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 36   and name HD1 ))
 ASSI {  355}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HE1 ))
      4.900     3.000     1.100 peak   355 spectrum    1 weight  0.10000E+01 volume  0.29762E-03 ppm1      4.910 ppm2      7.791 CV     1
 OR {  355}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 74   and name HE1 ))
 ASSI {  358}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 74   and name HD2 ))
      3.200     1.300     1.300 peak   358 spectrum    1 weight  0.10000E+01 volume  0.28405E-02 ppm1      4.902 ppm2      6.733 CV     1
 OR {  358}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 74   and name HD2 ))
 ASSI {  360}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 38   and name HZ  ))
      3.600     1.700     1.700 peak   360 spectrum    1 weight  0.10000E+01 volume  0.14584E-02 ppm1      4.889 ppm2      7.276 CV     1
 OR {  360}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HZ  ))
 ASSI {  362}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 38   and name HE% )
      3.400     1.500     1.500 peak   362 spectrum    1 weight  0.10000E+01 volume  0.16364E-02 ppm1      4.890 ppm2      6.890 CV     1
 OR {  362}
   (( segid "    " and resid 25   and name HA  ))
   (  segid "    " and resid 73   and name HD% )
 OR {  362}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 38   and name HE% )
 OR {  362}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 73   and name HD% )
 ASSI {  363}
   (( segid "    " and resid 25   and name HA  ))
   (  segid "    " and resid 73   and name HD% )
      4.300     2.300     1.700 peak   363 spectrum    1 weight  0.10000E+01 volume  0.50027E-03 ppm1      4.892 ppm2      6.839 CV     1
 OR {  363}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 73   and name HD% )
 ASSI {  366}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 51   and name HD% )
      3.800     1.800     1.800 peak   366 spectrum    1 weight  0.10000E+01 volume  0.75464E-03 ppm1      4.888 ppm2      6.661 CV     1
 OR {  366}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 72   and name HD2 ))
 ASSI {  367}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 51   and name HD% )
      6.000     5.700     0.000 peak   367 spectrum    1 weight  0.10000E+01 volume  0.31458E-04 ppm1      4.813 ppm2      6.655 CV     1
 OR {  367}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 72   and name HD2 ))
 ASSI {  390}
   (( segid "    " and resid 100  and name HA  ))
   (  segid "    " and resid 34   and name HE% )
      4.000     2.000     2.000 peak   390 spectrum    1 weight  0.10000E+01 volume  0.35612E-03 ppm1      4.488 ppm2      7.110 CV     1
 OR {  390}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 51   and name HE% )
 ASSI {  391}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 83   and name HE1 ))
      3.700     1.700     1.700 peak   391 spectrum    1 weight  0.10000E+01 volume  0.13905E-02 ppm1      4.462 ppm2      7.791 CV     1
 OR {  391}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 105  and name HN  ))
 ASSI {  392}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 51   and name HD% )
      4.100     2.100     1.900 peak   392 spectrum    1 weight  0.10000E+01 volume  0.52147E-03 ppm1      4.455 ppm2      6.651 CV     1
 OR {  392}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 51   and name HD% )
 ASSI {  398}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 3    and name HD2 ))
      3.800     1.800     1.800 peak   398 spectrum    1 weight  0.10000E+01 volume  0.88183E-03 ppm1      4.413 ppm2      6.893 CV     1
 OR {  398}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 103  and name HE% )
 ASSI {  400}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 106  and name HD% )
      5.000     3.200     1.000 peak   400 spectrum    1 weight  0.10000E+01 volume  0.16576E-03 ppm1      4.413 ppm2      6.719 CV     1
 OR {  400}
   (( segid "    " and resid 9   and name HA  ))
   (  segid "    " and resid 103  and name HD% )
 OR {  400}
   (( segid "    " and resid 89   and name HA  ))
   (  segid "    " and resid 37   and name HE% )
 ASSI {  421}
   (( segid "    " and resid 56   and name HE1 ))
   (( segid "    " and resid 74   and name HE1 ))
      5.000     3.100     1.000 peak   421 spectrum    1 weight  0.10000E+01 volume  0.15559E-03 ppm1      2.643 ppm2      7.791 CV     1
 OR {  421}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 74   and name HE1 ))
 ASSI {  433}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 37   and name HD% )
      2.100     0.500     0.500 peak   433 spectrum    1 weight  0.10000E+01 volume  0.10175E-01 ppm1      2.546 ppm2      6.841 CV     1
 OR {  433}
   (( segid "    " and resid 73   and name HB2 ))
   (  segid "    " and resid 73   and name HD% )
 ASSI {  443}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 58   and name HD% )
      3.200     3.200     2.800 peak   443 spectrum    1 weight  0.10000E+01 volume  0.24335E-02 ppm1      2.317 ppm2      6.843 CV     1
 OR {  443}
   (( segid "    " and resid 34   and name HB1 ))
   (  segid "    " and resid 37   and name HD% )
 ASSI {  444}
   (( segid "    " and resid 54   and name HG1 ))
   (( segid "    " and resid 74   and name HD2 ))
      3.700     1.700     1.700 peak   444 spectrum    1 weight  0.10000E+01 volume  0.94544E-03 ppm1      2.318 ppm2      6.714 CV     1
 OR {  444}
   (( segid "    " and resid 34   and name HB1 ))
   (  segid "    " and resid 37   and name HE% )
 ASSI {  457}
   (( segid "    " and resid 55   and name HB2 ))
   (  segid "    " and resid 57   and name HE% )
      3.200     1.300     1.300 peak   457 spectrum    1 weight  0.10000E+01 volume  0.17086E-02 ppm1      2.168 ppm2      6.891 CV     1
 OR {  457}
   (( segid "    " and resid 43   and name HB1 ))
   (  segid "    " and resid 73   and name HD% )
 ASSI {  469}
   (  segid "    " and resid 50   and name HE% )
   (  segid "    " and resid 51   and name HD% )
      4.000     2.000     2.000 peak   469 spectrum    1 weight  0.10000E+01 volume  0.55114E-03 ppm1      2.017 ppm2      6.656 CV     1
 OR {  469}
   (( segid "    " and resid 77   and name HB  ))
   (  segid "    " and resid 51   and name HD% )
 ASSI {  472}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 83   and name HD2 ))
      4.800     2.900     1.200 peak   472 spectrum    1 weight  0.10000E+01 volume  0.26242E-03 ppm1      1.997 ppm2      6.755 CV     1
 OR {  472}
   (( segid "    " and resid 102  and name HB1 ))
   (( segid "    " and resid 36   and name HZ3 ))
 ASSI {  476}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 73   and name HD% )
      3.800     1.800     1.800 peak   476 spectrum    1 weight  0.10000E+01 volume  0.45787E-03 ppm1      1.888 ppm2      6.891 CV     1
 OR {  476}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 38   and name HE% )
 ASSI {  483}
   (( segid "    " and resid 50   and name HB1 ))
   (  segid "    " and resid 51   and name HD% )
      3.400     1.500     1.500 peak   483 spectrum    1 weight  0.10000E+01 volume  0.20265E-02 ppm1      1.876 ppm2      6.656 CV     1
 OR {  483}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 72   and name HD2 ))
 ASSI {  499}
   (( segid "    " and resid 92   and name HB1 ))
   (  segid "    " and resid 37   and name HE% )
      2.800     1.000     1.000 peak   499 spectrum    1 weight  0.10000E+01 volume  0.50027E-02 ppm1      1.697 ppm2      6.756 CV     1
 OR {  499}
   (( segid "    " and resid 102  and name HG1 ))
   (( segid "    " and resid 36   and name HZ3 ))
 ASSI {  500}
   (( segid "    " and resid 102  and name HG1 ))
   (( segid "    " and resid 36   and name HE3 ))
      4.800     2.900     1.200 peak   500 spectrum    1 weight  0.10000E+01 volume  0.22893E-03 ppm1      1.694 ppm2      7.093 CV     1
 OR {  500}
   (( segid "    " and resid 90   and name HB1 ))
   (  segid "    " and resid 34   and name HE% )
 ASSI {  505}
   (( segid "    " and resid 43   and name HD1 ))
   (  segid "    " and resid 73   and name HD% )
      3.900     1.900     1.900 peak   505 spectrum    1 weight  0.10000E+01 volume  0.75888E-03 ppm1      1.662 ppm2      6.891 CV     1
 OR {  505}
   (( segid "    " and resid 7    and name HD1 ))
   (  segid "    " and resid 103  and name HE% )
 OR {  505}
   (( segid "    " and resid 43   and name HD1 ))
   (  segid "    " and resid 38   and name HE% )
 ASSI {  510}
   (( segid "    " and resid 24   and name HG11))
   (( segid "    " and resid 83   and name HE1 ))
      3.400     1.500     1.500 peak   510 spectrum    1 weight  0.10000E+01 volume  0.19417E-02 ppm1      1.572 ppm2      7.791 CV     1
 OR {  510}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 105  and name HN  ))
 ASSI {  513}
   (( segid "    " and resid 78   and name HD1 ))
   (  segid "    " and resid 51   and name HD% )
      4.000     2.000     2.000 peak   513 spectrum    1 weight  0.10000E+01 volume  0.47483E-03 ppm1      1.560 ppm2      6.686 CV     1
 OR {  513}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 74   and name HD2 ))
 ASSI {  519}
   (( segid "    " and resid 87   and name HB1 ))
   (( segid "    " and resid 36   and name HZ3 ))
      4.400     2.400     1.600 peak   519 spectrum    1 weight  0.10000E+01 volume  0.52570E-03 ppm1      1.521 ppm2      6.733 CV     1
 OR {  519}
   (  segid "    " and resid 12   and name HB% )
   (  segid "    " and resid 106  and name HD% )
 ASSI {  521}
   (( segid "    " and resid 87   and name HB1 ))
   (  segid "    " and resid 103  and name HD% )
      4.500     2.600     1.500 peak   521 spectrum    1 weight  0.10000E+01 volume  0.32433E-03 ppm1      1.490 ppm2      6.693 CV     1
 OR {  521}
   (( segid "    " and resid 56   and name HD1 ))
   (( segid "    " and resid 74   and name HD2 ))
 ASSI {  534}
   (  segid "    " and resid 53   and name HG1%)
   (  segid "    " and resid 38   and name HE% )
      2.700     2.700     3.300 peak   534 spectrum    1 weight  0.10000E+01 volume  0.50451E-02 ppm1      1.376 ppm2      6.890 CV     1
 OR {  534}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 73   and name HD% )
 ASSI {  535}
   (  segid "    " and resid 84   and name HB% )
   (( segid "    " and resid 83   and name HE1 ))
      5.100     3.300     0.900 peak   535 spectrum    1 weight  0.10000E+01 volume  0.17976E-03 ppm1      1.355 ppm2      7.825 CV     1
 OR {  535}
   (  segid "    " and resid 84   and name HB% )
   (( segid "    " and resid 105  and name HN  ))
 ASSI {  541}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 74   and name HE1 ))
      5.300     3.600     0.700 peak   541 spectrum    1 weight  0.10000E+01 volume  0.13270E-03 ppm1      1.321 ppm2      7.790 CV     1
 OR {  541}
   (  segid "    " and resid 84   and name HB% )
   (( segid "    " and resid 83   and name HE1 ))
 ASSI {  573}
   (  segid "    " and resid 77   and name HG1%)
   (( segid "    " and resid 83   and name HE1 ))
      4.700     2.800     1.300 peak   573 spectrum    1 weight  0.10000E+01 volume  0.27091E-03 ppm1      0.947 ppm2      7.791 CV     1
 OR {  573}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 74   and name HE1 ))
 ASSI {  574}
   (  segid "    " and resid 77   and name HG1%)
   (( segid "    " and resid 83   and name HD2 ))
      2.900     1.000     1.000 peak   574 spectrum    1 weight  0.10000E+01 volume  0.30822E-02 ppm1      0.947 ppm2      6.733 CV     1
 OR {  574}
   (  segid "    " and resid 13   and name HG2%)
   (  segid "    " and resid 106  and name HD% )
 ASSI {  589}
   (  segid "    " and resid 94   and name HG2%)
   (( segid "    " and resid 93   and name HZ2 ))
      3.000     3.000     3.000 peak   589 spectrum    1 weight  0.10000E+01 volume  0.18230E-03 ppm1      0.820 ppm2      7.391 CV     1
 OR {  589}
   (  segid "    " and resid 5    and name HG1%)
   (( segid "    " and resid 72   and name HE1 ))
 ASSI {  594}
   (( segid "    " and resid 91   and name HB1 ))
   (  segid "    " and resid 34   and name HE% )
      4.400     2.500     1.600 peak   594 spectrum    1 weight  0.10000E+01 volume  0.48755E-03 ppm1      0.741 ppm2      7.111 CV     1
 OR {  594}
   (( segid "    " and resid 34   and name HB2 ))
   (  segid "    " and resid 34   and name HE% )
 ASSI {  596}
   (( segid "    " and resid 34   and name HB2 ))
   (  segid "    " and resid 34   and name HD% )
      1.500     1.500     4.500 peak   596 spectrum    1 weight  0.10000E+01 volume  0.78432E-01 ppm1      0.746 ppm2      6.468 CV     1
 OR {  596}
   (( segid "    " and resid 34   and name HB2 ))
   (  segid "    " and resid 89   and name HE% )
 ASSI {  602}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 3    and name HD2 ))
      3.200     1.300     1.300 peak   602 spectrum    1 weight  0.10000E+01 volume  0.14244E-02 ppm1      0.677 ppm2      6.922 CV     1
 OR {  602}
   (  segid "    " and resid 105  and name HG2%)
   (  segid "    " and resid 103  and name HE% )
 ASSI {  617}
   (  segid "    " and resid 85   and name HG1%)
   (  segid "    " and resid 103  and name HE% )
      3.000     1.100     1.100 peak   617 spectrum    1 weight  0.10000E+01 volume  0.18654E-02 ppm1      0.589 ppm2      6.890 CV     1
 OR {  617}
   (  segid "    " and resid 24   and name HD1%)
   (  segid "    " and resid 103  and name HE% )
 ASSI {  630}
   (( segid "    " and resid 26   and name HG  ))
   (( segid "    " and resid 36   and name HZ2 ))
      4.800     2.900     1.200 peak   630 spectrum    1 weight  0.10000E+01 volume  0.20689E-03 ppm1      0.390 ppm2      6.944 CV     1
 OR {  630}
   (( segid "    " and resid 26   and name HG  ))
   (  segid "    " and resid 103  and name HE% )
 ASSI {  631}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 36   and name HD1 ))
      3.400     1.400     1.400 peak   631 spectrum    1 weight  0.10000E+01 volume  0.97514E-03 ppm1      0.386 ppm2      7.415 CV     1
 OR {  631}
   (( segid "    " and resid 91   and name HG1 ))
   (( segid "    " and resid 93   and name HZ2 ))
 ASSI {  632}
   (( segid "    " and resid 26   and name HG  ))
   (  segid "    " and resid 73   and name HD% )
      5.300     3.500     0.700 peak   632 spectrum    1 weight  0.10000E+01 volume  0.11489E-03 ppm1      0.376 ppm2      6.891 CV     1
 OR {  632}
   (( segid "    " and resid 26   and name HG  ))
   (  segid "    " and resid 103  and name HE% )
 ASSI {  641}
   (  segid "    " and resid 85   and name HG2%)
   (( segid "    " and resid 83   and name HD2 ))
      6.000     4.700     0.000 peak   641 spectrum    1 weight  0.10000E+01 volume  0.39385E-04 ppm1      0.261 ppm2      6.733 CV     1
 OR {  641}
   (  segid "    " and resid 85   and name HG2%)
   (  segid "    " and resid 106  and name HD% )
 ASSI {  687}
   (( segid "    " and resid 46   and name HD1 ))
   (( segid "    " and resid 46   and name HA  ))
      4.900     3.000     1.100 peak   687 spectrum    1 weight  0.10000E+01 volume  0.15008E-03 ppm1      3.194 ppm2      4.320 CV     1
 OR {  687}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 19   and name HA1 ))
 ASSI {  702}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 26   and name HA  ))
      3.100     3.100     2.900 peak   702 spectrum    1 weight  0.10000E+01 volume  0.13270E-03 ppm1      3.002 ppm2      4.725 CV     1
 OR {  702}
   (( segid "    " and resid 3    and name HB1 ))
   (( segid "    " and resid 79   and name HA  ))
 ASSI {  707}
   (( segid "    " and resid 83   and name HB1 ))
   (( segid "    " and resid 84   and name HA  ))
      4.300     2.400     1.700 peak   707 spectrum    1 weight  0.10000E+01 volume  0.23996E-03 ppm1      2.904 ppm2      4.465 CV     1
 OR {  707}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 9   and name HA  ))
 ASSI {  712}
   (( segid "    " and resid 83   and name HB1 ))
   (( segid "    " and resid 84   and name HA  ))
      2.300     2.300     3.700 peak   712 spectrum    1 weight  0.10000E+01 volume  0.86062E-02 ppm1      2.864 ppm2      4.468 CV     1
 OR {  712}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 78   and name HA  ))
 ASSI {  721}
   (( segid "    " and resid 58   and name HB1 ))
   (( segid "    " and resid 69   and name HA1 ))
      4.900     3.000     1.100 peak   721 spectrum    1 weight  0.10000E+01 volume  0.10472E-03 ppm1      2.726 ppm2      4.422 CV     1
 OR {  721}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 78   and name HA  ))
 ASSI {  723}
   (( segid "    " and resid 58   and name HB1 ))
   (( segid "    " and resid 69   and name HA1 ))
      5.800     4.100     0.200 peak   723 spectrum    1 weight  0.10000E+01 volume  0.63594E-04 ppm1      2.716 ppm2      4.385 CV     1
 OR {  723}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 52   and name HB  ))
 ASSI {  729}
   (( segid "    " and resid 99  and name HB1 ))
   (( segid "    " and resid 99  and name HA  ))
      2.900     1.000     1.000 peak   729 spectrum    1 weight  0.10000E+01 volume  0.19544E-02 ppm1      2.666 ppm2      4.563 CV     1
 OR {  729}
   (( segid "    " and resid 110  and name HB1 ))
   (( segid "    " and resid 110  and name HA  ))
 ASSI {  731}
   (( segid "    " and resid 46   and name HD2 ))
   (( segid "    " and resid 46   and name HA  ))
      2.500     2.500     3.500 peak   731 spectrum    1 weight  0.10000E+01 volume  0.95810E-02 ppm1      2.662 ppm2      4.323 CV     1
 OR {  731}
   (( segid "    " and resid 99  and name HB1 ))
   (( segid "    " and resid 96   and name HA  ))
 ASSI {  739}
   (( segid "    " and resid 91   and name HD1 ))
   (( segid "    " and resid 91   and name HA  ))
      3.400     1.400     1.400 peak   739 spectrum    1 weight  0.10000E+01 volume  0.10260E-02 ppm1      2.583 ppm2      4.317 CV     1
 OR {  739}
   (( segid "    " and resid 91   and name HD1 ))
   (( segid "    " and resid 33   and name HA1 ))
 ASSI {  746}
   (( segid "    " and resid 90   and name HG1 ))
   (( segid "    " and resid 40   and name HA1 ))
      4.200     2.200     1.800 peak   746 spectrum    1 weight  0.10000E+01 volume  0.61897E-03 ppm1      2.487 ppm2      4.299 CV     1
 OR {  746}
   (( segid "    " and resid 99  and name HB2 ))
   (( segid "    " and resid 96   and name HA  ))
 ASSI {  755}
   (( segid "    " and resid 39   and name HG1 ))
   (( segid "    " and resid 42   and name HB  ))
      4.500     2.500     1.500 peak   755 spectrum    1 weight  0.10000E+01 volume  0.14711E-03 ppm1      2.329 ppm2      4.408 CV     1
 OR {  755}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 89   and name HA  ))
 ASSI {  763}
   (( segid "    " and resid 89   and name HB1 ))
   (( segid "    " and resid 102  and name HA  ))
      4.500     2.500     1.500 peak   763 spectrum    1 weight  0.10000E+01 volume  0.39513E-03 ppm1      2.266 ppm2      5.337 CV     1
 OR {  763}
   (( segid "    " and resid 103  and name HB2 ))
   (( segid "    " and resid 102  and name HA  ))
 ASSI {  767}
   (( segid "    " and resid 48   and name HG1 ))
   (( segid "    " and resid 52   and name HA  ))
      3.900     1.900     1.900 peak   767 spectrum    1 weight  0.10000E+01 volume  0.67833E-03 ppm1      2.249 ppm2      4.853 CV     1
 OR {  767}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 54   and name HA  ))
 ASSI {  768}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 50   and name HA  ))
      1.800     1.800     4.200 peak   768 spectrum    1 weight  0.10000E+01 volume  0.10599E+00 ppm1      2.233 ppm2      4.466 CV     1
 OR {  768}
   (( segid "    " and resid 89   and name HB1 ))
   (( segid "    " and resid 100  and name HA  ))
 ASSI {  782}
   (( segid "    " and resid 16   and name HB  ))
   (( segid "    " and resid 17   and name HA  ))
      3.500     1.600     1.600 peak   782 spectrum    1 weight  0.10000E+01 volume  0.10430E-02 ppm1      2.045 ppm2      5.100 CV     1
 OR {  782}
   (  segid "    " and resid 50   and name HE% )
   (( segid "    " and resid 51   and name HA  ))
 ASSI {  788}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 26   and name HA  ))
      5.400     3.600     0.600 peak   788 spectrum    1 weight  0.10000E+01 volume  0.18654E-03 ppm1      2.013 ppm2      4.770 CV     1
 OR {  788}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 28   and name HA  ))
 ASSI {  789}
   (( segid "    " and resid 85   and name HB  ))
   (( segid "    " and resid 84   and name HA  ))
      5.200     3.300     0.800 peak   789 spectrum    1 weight  0.10000E+01 volume  0.20308E-03 ppm1      2.012 ppm2      4.460 CV     1
 OR {  789}
   (  segid "    " and resid 50   and name HE% )
   (( segid "    " and resid 50   and name HA  ))
 OR {  789}
   (( segid "    " and resid 77   and name HB  ))
   (( segid "    " and resid 78   and name HA  ))
 ASSI {  792}
   (( segid "    " and resid 102  and name HB1 ))
   (( segid "    " and resid 102  and name HA  ))
      2.900     1.000     1.000 peak   792 spectrum    1 weight  0.10000E+01 volume  0.24632E-02 ppm1      1.988 ppm2      5.340 CV     1
 OR {  792}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 53   and name HA  ))
 ASSI {  793}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HA  ))
      2.700     0.900     0.900 peak   793 spectrum    1 weight  0.10000E+01 volume  0.29549E-02 ppm1      1.963 ppm2      4.851 CV     1
 OR {  793}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HA  ))
 ASSI {  794}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 60   and name HA  ))
      2.800     1.000     1.000 peak   794 spectrum    1 weight  0.10000E+01 volume  0.39089E-02 ppm1      1.954 ppm2      4.430 CV     1
 OR {  794}
   (( segid "    " and resid 22   and name HB  ))
   (( segid "    " and resid 22   and name HA  ))
 ASSI {  797}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 23   and name HA  ))
      2.900     1.100     1.100 peak   797 spectrum    1 weight  0.10000E+01 volume  0.11108E-02 ppm1      1.937 ppm2      4.896 CV     1
 OR {  797}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HA  ))
 ASSI {  799}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 65   and name HA  ))
      4.300     2.300     1.700 peak   799 spectrum    1 weight  0.10000E+01 volume  0.30355E-03 ppm1      1.923 ppm2      4.159 CV     1
 OR {  799}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 28   and name HB1 ))
 ASSI {  800}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 23   and name HA  ))
      2.800     1.000     1.000 peak   800 spectrum    1 weight  0.10000E+01 volume  0.12973E-02 ppm1      1.918 ppm2      4.955 CV     1
 OR {  800}
   (( segid "    " and resid 107  and name HB1 ))
   (( segid "    " and resid 107  and name HA  ))
 ASSI {  806}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 6    and name HB  ))
      4.500     2.500     1.500 peak   806 spectrum    1 weight  0.10000E+01 volume  0.34382E-03 ppm1      1.875 ppm2      4.712 CV     1
 OR {  806}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 26   and name HA  ))
 ASSI {  807}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 6    and name HA  ))
      5.100     3.300     0.900 peak   807 spectrum    1 weight  0.10000E+01 volume  0.19417E-03 ppm1      1.869 ppm2      5.165 CV     1
 OR {  807}
   (( segid "    " and resid 25   and name HG1 ))
   (( segid "    " and resid 6    and name HA  ))
 ASSI {  808}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HA  ))
      2.500     0.800     0.800 peak   808 spectrum    1 weight  0.10000E+01 volume  0.63594E-02 ppm1      1.842 ppm2      4.321 CV     1
 OR {  808}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 44   and name HA  ))
 ASSI {  810}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HA  ))
      2.700     0.900     0.900 peak   810 spectrum    1 weight  0.10000E+01 volume  0.33111E-02 ppm1      1.801 ppm2      4.896 CV     1
 OR {  810}
   (( segid "    " and resid 23   and name HG1 ))
   (( segid "    " and resid 23   and name HA  ))
 OR {  810}
   (( segid "    " and resid 25   and name HG1 ))
   (( segid "    " and resid 25   and name HA  ))
 ASSI {  822}
   (( segid "    " and resid 63   and name HD1 ))
   (( segid "    " and resid 64   and name HA  ))
      3.400     1.400     1.400 peak   822 spectrum    1 weight  0.10000E+01 volume  0.13058E-02 ppm1      1.691 ppm2      4.323 CV     1
 OR {  822}
   (( segid "    " and resid 92   and name HB1 ))
   (( segid "    " and resid 91   and name HA  ))
 ASSI {  836}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 106  and name HA  ))
      3.700     1.700     1.700 peak   836 spectrum    1 weight  0.10000E+01 volume  0.97514E-03 ppm1      1.560 ppm2      5.081 CV     1
 OR {  836}
   (( segid "    " and resid 24   and name HG11))
   (( segid "    " and resid 73   and name HA  ))
 OR {  836}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 70   and name HA  ))
 ASSI {  839}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 13   and name HA  ))
      4.600     2.700     1.400 peak   839 spectrum    1 weight  0.10000E+01 volume  0.23021E-03 ppm1      1.537 ppm2      5.331 CV     1
 OR {  839}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI {  841}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 64   and name HA  ))
      3.900     1.900     1.900 peak   841 spectrum    1 weight  0.10000E+01 volume  0.38876E-03 ppm1      1.533 ppm2      4.305 CV     1
 OR {  841}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 105  and name HA  ))
 ASSI {  842}
   (( segid "    " and resid 87   and name HB1 ))
   (( segid "    " and resid 87   and name HA  ))
      2.400     0.700     0.700 peak   842 spectrum    1 weight  0.10000E+01 volume  0.50451E-02 ppm1      1.502 ppm2      4.891 CV     1
 OR {  842}
   (( segid "    " and resid 87   and name HB1 ))
   (( segid "    " and resid 38   and name HA  ))
 ASSI {  843}
   (( segid "    " and resid 87   and name HB1 ))
   (( segid "    " and resid 103  and name HA  ))
      6.000     5.000     0.000 peak   843 spectrum    1 weight  0.10000E+01 volume  0.96662E-04 ppm1      1.498 ppm2      4.697 CV     1
 OR {  843}
   (( segid "    " and resid 7    and name HG1 ))
   (( segid "    " and resid 26   and name HA  ))
 ASSI {  848}
   (( segid "    " and resid 56   and name HD1 ))
   (( segid "    " and resid 73   and name HA  ))
      4.200     2.300     1.800 peak   848 spectrum    1 weight  0.10000E+01 volume  0.36078E-03 ppm1      1.472 ppm2      5.079 CV     1
 OR {  848}
   (( segid "    " and resid 56   and name HD1 ))
   (( segid "    " and resid 71   and name HA  ))
 ASSI {  868}
   (  segid "    " and resid 84   and name HB% )
   (( segid "    " and resid 84   and name HA  ))
      2.800     1.000     1.000 peak   868 spectrum    1 weight  0.10000E+01 volume  0.22300E-02 ppm1      1.349 ppm2      4.458 CV     1
 OR {  868}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 78   and name HA  ))
 ASSI {  872}
   (( segid "    " and resid 14   and name HG  ))
   (( segid "    " and resid 14   and name HA  ))
      4.400     2.400     1.600 peak   872 spectrum    1 weight  0.10000E+01 volume  0.28702E-03 ppm1      1.326 ppm2      4.692 CV     1
 OR {  872}
   (  segid "    " and resid 31   and name HG2%)
   (( segid "    " and resid 30   and name HA  ))
 ASSI {  877}
   (( segid "    " and resid 108  and name HB2 ))
   (( segid "    " and resid 108  and name HA  ))
      3.600     1.600     1.600 peak   877 spectrum    1 weight  0.10000E+01 volume  0.36714E-03 ppm1      1.306 ppm2      4.814 CV     1
 OR {  877}
   (( segid "    " and resid 21   and name HG  ))
   (( segid "    " and resid 21   and name HA  ))
 ASSI {  878}
   (( segid "    " and resid 21   and name HG  ))
   (( segid "    " and resid 74   and name HA  ))
      5.600     3.900     0.400 peak   878 spectrum    1 weight  0.10000E+01 volume  0.73344E-04 ppm1      1.295 ppm2      5.329 CV     1
 OR {  878}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI {  882}
   (  segid "    " and resid 109  and name HB% )
   (( segid "    " and resid 110  and name HA  ))
      4.800     2.800     1.200 peak   882 spectrum    1 weight  0.10000E+01 volume  0.17551E-03 ppm1      1.281 ppm2      4.519 CV     1
 OR {  882}
   (( segid "    " and resid 21   and name HG  ))
   (( segid "    " and resid 1    and name HA  ))
 ASSI {  887}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 87   and name HA  ))
      3.700     1.700     1.700 peak   887 spectrum    1 weight  0.10000E+01 volume  0.48331E-03 ppm1      1.251 ppm2      4.896 CV     1
 OR {  887}
   (( segid "    " and resid 108  and name HG1 ))
   (( segid "    " and resid 82   and name HA  ))
 ASSI {  890}
   (( segid "    " and resid 108  and name HB2 ))
   (( segid "    " and resid 108  and name HA  ))
      2.300     0.700     0.700 peak   890 spectrum    1 weight  0.10000E+01 volume  0.42353E-02 ppm1      1.241 ppm2      4.814 CV     1
 OR {  890}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 52   and name HA  ))
 ASSI {  893}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 53   and name HA  ))
      4.300     2.300     1.700 peak   893 spectrum    1 weight  0.10000E+01 volume  0.32094E-03 ppm1      1.215 ppm2      5.336 CV     1
 OR {  893}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 102  and name HA  ))
 ASSI {  894}
   (( segid "    " and resid 108  and name HG1 ))
   (( segid "    " and resid 81   and name HA1 ))
      4.400     2.400     1.600 peak   894 spectrum    1 weight  0.10000E+01 volume  0.18103E-03 ppm1      1.215 ppm2      4.274 CV     1
 OR {  894}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 44   and name HA  ))
 ASSI {  899}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 25   and name HA  ))
      3.400     1.500     1.500 peak   899 spectrum    1 weight  0.10000E+01 volume  0.54690E-03 ppm1      1.159 ppm2      4.892 CV     1
 OR {  899}
   (( segid "    " and resid 4    and name HG1 ))
   (( segid "    " and resid 4    and name HA  ))
 ASSI {  908}
   (  segid "    " and resid 88   and name HG2%)
   (( segid "    " and resid 101  and name HA  ))
      4.900     3.000     1.100 peak   908 spectrum    1 weight  0.10000E+01 volume  0.18273E-03 ppm1      1.090 ppm2      4.297 CV     1
 OR {  908}
   (  segid "    " and resid 88   and name HG2%)
   (( segid "    " and resid 40   and name HA1 ))
 ASSI {  917}
   (  segid "    " and resid 82   and name HG2%)
   (( segid "    " and resid 107  and name HA  ))
      6.000     6.000     0.000 peak   917 spectrum    1 weight  0.10000E+01 volume  0.19460E-04 ppm1      0.955 ppm2      4.973 CV     1
 OR {  917}
   (  segid "    " and resid 82   and name HG2%)
   (( segid "    " and resid 15   and name HA  ))
 ASSI {  925}
   (  segid "    " and resid 82   and name HG2%)
   (( segid "    " and resid 81   and name HA1 ))
      4.000     2.000     2.000 peak   925 spectrum    1 weight  0.10000E+01 volume  0.20392E-03 ppm1      0.913 ppm2      4.275 CV     1
 OR {  925}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 69   and name HA2 ))
 ASSI {  930}
   (  segid "    " and resid 5    and name HG1%)
   (( segid "    " and resid 24   and name HA  ))
      4.200     2.200     1.800 peak   930 spectrum    1 weight  0.10000E+01 volume  0.29974E-03 ppm1      0.839 ppm2      4.452 CV     1
 OR {  930}
   (  segid "    " and resid 5    and name HG1%)
   (( segid "    " and resid 9   and name HA  ))
 ASSI {  932}
   (  segid "    " and resid 22   and name HG1%)
   (( segid "    " and resid 3    and name HA  ))
      4.400     2.400     1.600 peak   932 spectrum    1 weight  0.10000E+01 volume  0.61474E-03 ppm1      0.830 ppm2      4.635 CV     1
 OR {  932}
   (  segid "    " and resid 94   and name HG2%)
   (( segid "    " and resid 90   and name HA  ))
 ASSI {  933}
   (  segid "    " and resid 5    and name HG1%)
   (( segid "    " and resid 5    and name HA  ))
      3.000     1.100     1.100 peak   933 spectrum    1 weight  0.10000E+01 volume  0.21961E-02 ppm1      0.828 ppm2      4.414 CV     1
 OR {  933}
   (  segid "    " and resid 22   and name HG1%)
   (( segid "    " and resid 22   and name HA  ))
 ASSI {  938}
   (  segid "    " and resid 77   and name HG2%)
   (( segid "    " and resid 110  and name HA  ))
      3.500     1.500     1.500 peak   938 spectrum    1 weight  0.10000E+01 volume  0.21113E-03 ppm1      0.822 ppm2      4.549 CV     1
 OR {  938}
   (  segid "    " and resid 22   and name HG1%)
   (( segid "    " and resid 110  and name HA  ))
 ASSI {  939}
   (  segid "    " and resid 105  and name HG1%)
   (( segid "    " and resid 105  and name HA  ))
      2.700     0.900     0.900 peak   939 spectrum    1 weight  0.10000E+01 volume  0.44515E-02 ppm1      0.825 ppm2      4.288 CV     1
 OR {  939}
   (  segid "    " and resid 94   and name HG2%)
   (( segid "    " and resid 94   and name HA  ))
 ASSI {  942}
   (( segid "    " and resid 91   and name HB1 ))
   (( segid "    " and resid 91   and name HA  ))
      2.700     0.900     0.900 peak   942 spectrum    1 weight  0.10000E+01 volume  0.25013E-02 ppm1      0.785 ppm2      4.305 CV     1
 OR {  942}
   (  segid "    " and resid 105  and name HG1%)
   (( segid "    " and resid 105  and name HA  ))
 ASSI {  945}
   (  segid "    " and resid 18   and name HG1%)
   (( segid "    " and resid 110  and name HA  ))
      3.600     1.700     1.700 peak   945 spectrum    1 weight  0.10000E+01 volume  0.98779E-03 ppm1      0.756 ppm2      4.533 CV     1
 OR {  945}
   (  segid "    " and resid 105  and name HG1%)
   (( segid "    " and resid 84   and name HA  ))
 ASSI {  950}
   (  segid "    " and resid 18   and name HG1%)
   (( segid "    " and resid 21   and name HA  ))
      3.400     1.400     1.400 peak   950 spectrum    1 weight  0.10000E+01 volume  0.14541E-02 ppm1      0.731 ppm2      4.888 CV     1
 OR {  950}
   (  segid "    " and resid 18   and name HG1%)
   (( segid "    " and resid 76   and name HA  ))
 ASSI {  955}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 74   and name HA  ))
      4.000     2.000     2.000 peak   955 spectrum    1 weight  0.10000E+01 volume  0.44515E-03 ppm1      0.671 ppm2      5.324 CV     1
 OR {  955}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 13   and name HA  ))
 ASSI {  959}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 23   and name HA  ))
      2.900     1.000     1.000 peak   959 spectrum    1 weight  0.10000E+01 volume  0.34171E-02 ppm1      0.661 ppm2      4.953 CV     1
 OR {  959}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 23   and name HA  ))
 ASSI {  965}
   (( segid "    " and resid 24   and name HG12))
   (( segid "    " and resid 23   and name HA  ))
      2.000     2.000     4.000 peak   965 spectrum    1 weight  0.10000E+01 volume  0.24716E-01 ppm1      0.594 ppm2      4.892 CV     1
 OR {  965}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 76   and name HA  ))
 OR {  965}
   (  segid "    " and resid 24   and name HD1%)
   (( segid "    " and resid 4    and name HA  ))
 ASSI {  967}
   (( segid "    " and resid 24   and name HG12))
   (( segid "    " and resid 74   and name HA  ))
      4.800     2.900     1.200 peak   967 spectrum    1 weight  0.10000E+01 volume  0.13524E-03 ppm1      0.584 ppm2      5.325 CV     1
 OR {  967}
   (  segid "    " and resid 85   and name HG1%)
   (( segid "    " and resid 104  and name HA  ))
 ASSI {  969}
   (  segid "    " and resid 24   and name HD1%)
   (( segid "    " and resid 106  and name HA  ))
      4.000     2.000     2.000 peak   969 spectrum    1 weight  0.10000E+01 volume  0.61897E-03 ppm1      0.588 ppm2      5.078 CV     1
 OR {  969}
   (  segid "    " and resid 85   and name HG1%)
   (( segid "    " and resid 106  and name HA  ))
 OR {  969}
   (( segid "    " and resid 24   and name HG12))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  973}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 107  and name HA  ))
      6.000     6.000     0.000 peak   973 spectrum    1 weight  0.10000E+01 volume  0.39513E-05 ppm1      0.567 ppm2      4.979 CV     1
 OR {  973}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 15   and name HA  ))
 ASSI {  975}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 4    and name HA  ))
      5.000     3.200     1.000 peak   975 spectrum    1 weight  0.10000E+01 volume  0.21706E-03 ppm1      0.540 ppm2      4.893 CV     1
 OR {  975}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 25   and name HA  ))
 ASSI {  980}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 70   and name HA  ))
      4.900     3.000     1.100 peak   980 spectrum    1 weight  0.10000E+01 volume  0.23445E-03 ppm1      0.510 ppm2      5.097 CV     1
 OR {  980}
   (  segid "    " and resid 16   and name HG1%)
   (( segid "    " and resid 17   and name HA  ))
 ASSI {  992}
   (( segid "    " and resid 91   and name HG1 ))
   (( segid "    " and resid 91   and name HA  ))
      3.000     1.100     1.100 peak   992 spectrum    1 weight  0.10000E+01 volume  0.71648E-03 ppm1      0.318 ppm2      4.316 CV     1
 OR {  992}
   (( segid "    " and resid 91   and name HG1 ))
   (( segid "    " and resid 33   and name HA1 ))
 ASSI {  995}
   (  segid "    " and resid 16   and name HG2%)
   (( segid "    " and resid 17   and name HA  ))
      4.100     2.100     1.900 peak   995 spectrum    1 weight  0.10000E+01 volume  0.38453E-03 ppm1      0.263 ppm2      5.095 CV     1
 OR {  995}
   (  segid "    " and resid 85   and name HG2%)
   (( segid "    " and resid 106  and name HA  ))
 ASSI { 1001}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 25   and name HA  ))
      3.800     1.800     1.800 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.41886E-03 ppm1      0.124 ppm2      4.892 CV     1
 OR { 1001}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 4    and name HA  ))
 ASSI { 1006}
   (( segid "    " and resid 91   and name HB2 ))
   (( segid "    " and resid 91   and name HA  ))
      3.000     1.100     1.100 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.13354E-02 ppm1      0.021 ppm2      4.317 CV     1
 OR { 1006}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 101  and name HA  ))
 ASSI { 1032}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 70   and name HB  ))
      4.200     2.200     1.800 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.20689E-03 ppm1      2.626 ppm2      3.794 CV     1
 OR { 1032}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI { 1054}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 2    and name HB1 ))
      4.600     2.700     1.400 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.21028E-03 ppm1      2.290 ppm2      3.698 CV     1
 OR { 1054}
   (( segid "    " and resid 89   and name HB1 ))
   (( segid "    " and resid 100  and name HB2 ))
 ASSI { 1057}
   (( segid "    " and resid 48   and name HG1 ))
   (( segid "    " and resid 49   and name HA  ))
      4.400     2.400     1.600 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.26964E-03 ppm1      2.214 ppm2      4.120 CV     1
 OR { 1057}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI { 1063}
   (( segid "    " and resid 27   and name HG1 ))
   (( segid "    " and resid 29   and name HB1 ))
      3.500     1.600     1.600 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.15559E-02 ppm1      2.159 ppm2      3.210 CV     1
 OR { 1063}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 74   and name HB1 ))
 ASSI { 1065}
   (( segid "    " and resid 96   and name HB1 ))
   (( segid "    " and resid 96   and name HD1 ))
      5.400     3.700     0.600 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.14033E-03 ppm1      2.132 ppm2      3.574 CV     1
 OR { 1065}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HD2 ))
 ASSI { 1074}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 29   and name HB1 ))
      2.800     1.000     1.000 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.30694E-02 ppm1      2.032 ppm2      3.195 CV     1
 OR { 1074}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 46   and name HD1 ))
 ASSI { 1077}
   (( segid "    " and resid 96   and name HG1 ))
   (( segid "    " and resid 96   and name HD1 ))
      3.000     1.100     1.100 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.82247E-03 ppm1      2.013 ppm2      3.567 CV     1
 OR { 1077}
   (( segid "    " and resid 60   and name HG1 ))
   (( segid "    " and resid 60   and name HD1 ))
 ASSI { 1080}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 28   and name HB1 ))
      5.400     3.600     0.600 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.94966E-04 ppm1      1.952 ppm2      4.121 CV     1
 OR { 1080}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 28   and name HB1 ))
 ASSI { 1085}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 60   and name HD1 ))
      2.800     1.000     1.000 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.53842E-02 ppm1      1.944 ppm2      3.504 CV     1
 OR { 1085}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 59   and name HD2 ))
 ASSI { 1086}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 60   and name HD1 ))
      3.400     1.500     1.500 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.16789E-02 ppm1      1.930 ppm2      3.571 CV     1
 OR { 1086}
   (( segid "    " and resid 96   and name HB2 ))
   (( segid "    " and resid 96   and name HD1 ))
 ASSI { 1092}
   (  segid "    " and resid 90   and name HE% )
   (( segid "    " and resid 88   and name HB  ))
      3.100     1.200     1.200 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.18569E-02 ppm1      1.826 ppm2      3.834 CV     1
 OR { 1092}
   (( segid "    " and resid 25   and name HG1 ))
   (( segid "    " and resid 70   and name HB  ))
 ASSI { 1095}
   (( segid "    " and resid 60   and name HG2 ))
   (( segid "    " and resid 60   and name HD1 ))
      2.900     1.100     1.100 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.17637E-02 ppm1      1.827 ppm2      3.572 CV     1
 OR { 1095}
   (( segid "    " and resid 92   and name HG1 ))
   (( segid "    " and resid 92   and name HD1 ))
 OR { 1095}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 45   and name HA  ))
 ASSI { 1109}
   (( segid "    " and resid 65   and name HG  ))
   (( segid "    " and resid 30   and name HD1 ))
      5.700     4.100     0.300 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.46211E-04 ppm1      1.591 ppm2      3.914 CV     1
 OR { 1109}
   (( segid "    " and resid 65   and name HG  ))
   (( segid "    " and resid 28   and name HB2 ))
 ASSI { 1111}
   (( segid "    " and resid 65   and name HG  ))
   (( segid "    " and resid 68   and name HA1 ))
      4.900     3.000     1.100 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.12167E-03 ppm1      1.573 ppm2      4.074 CV     1
 OR { 1111}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 27   and name HD1 ))
 ASSI { 1112}
   (  segid "    " and resid 79   and name HB% )
   (( segid "    " and resid 80   and name HA  ))
      5.400     3.700     0.600 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.11956E-03 ppm1      1.571 ppm2      4.024 CV     1
 OR { 1112}
   (( segid "    " and resid 24   and name HG11))
   (( segid "    " and resid 85   and name HA  ))
 OR { 1112}
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 66   and name HA1 ))
 ASSI { 1113}
   (  segid "    " and resid 79   and name HB% )
   (( segid "    " and resid 80   and name HA  ))
      6.000     6.000     0.000 peak  1113 spectrum    1 weight  0.10000E+01 volume  0.24208E-04 ppm1      1.573 ppm2      3.991 CV     1
 OR { 1113}
   (( segid "    " and resid 24   and name HG11))
   (( segid "    " and resid 85   and name HA  ))
 ASSI { 1114}
   (( segid "    " and resid 78   and name HD1 ))
   (( segid "    " and resid 77   and name HA  ))
      4.300     2.300     1.700 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.29423E-03 ppm1      1.573 ppm2      3.792 CV     1
 OR { 1114}
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 66   and name HA2 ))
 ASSI { 1115}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 60   and name HD1 ))
      2.400     2.400     3.600 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.32899E-02 ppm1      1.558 ppm2      3.576 CV     1
 OR { 1115}
   (( segid "    " and resid 21   and name HB1 ))
   (( segid "    " and resid 19   and name HA2 ))
 OR { 1115}
   (( segid "    " and resid 24   and name HG11))
   (( segid "    " and resid 45   and name HA  ))
 ASSI { 1118}
   (  segid "    " and resid 79   and name HB% )
   (( segid "    " and resid 80   and name HA  ))
      4.700     2.800     1.300 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.27939E-03 ppm1      1.529 ppm2      3.990 CV     1
 OR { 1118}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 66   and name HA1 ))
 ASSI { 1119}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 1    and name HB1 ))
      6.000     4.600     0.000 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.38834E-04 ppm1      1.511 ppm2      3.727 CV     1
 OR { 1119}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 1    and name HB1 ))
 ASSI { 1132}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 34   and name HA  ))
      5.000     3.200     1.000 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.25649E-03 ppm1      1.342 ppm2      3.807 CV     1
 OR { 1132}
   (( segid "    " and resid 78   and name HG1 ))
   (( segid "    " and resid 77   and name HA  ))
 ASSI { 1135}
   (  segid "    " and resid 84   and name HB% )
   (( segid "    " and resid 82   and name HB  ))
      2.800     2.800     3.200 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.25988E-02 ppm1      1.320 ppm2      3.894 CV     1
 OR { 1135}
   (  segid "    " and resid 31   and name HG2%)
   (( segid "    " and resid 30   and name HD1 ))
 ASSI { 1136}
   (( segid "    " and resid 21   and name HG  ))
   (( segid "    " and resid 74   and name HB1 ))
      3.000     1.200     1.200 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.25183E-02 ppm1      1.315 ppm2      3.201 CV     1
 OR { 1136}
   (  segid "    " and resid 31   and name HG2%)
   (( segid "    " and resid 29   and name HB1 ))
 ASSI { 1139}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 76   and name HB  ))
      4.900     3.000     1.100 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.13566E-03 ppm1      1.270 ppm2      4.050 CV     1
 OR { 1139}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 15   and name HB  ))
 ASSI { 1142}
   (  segid "    " and resid 35   and name HB% )
   (( segid "    " and resid 34   and name HA  ))
      5.400     3.600     0.600 peak  1142 spectrum    1 weight  0.10000E+01 volume  0.12888E-03 ppm1      1.259 ppm2      3.852 CV     1
 OR { 1142}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 28   and name HB2 ))
 OR { 1142}
   (( segid "    " and resid 108  and name HG1 ))
   (( segid "    " and resid 82   and name HB  ))
 ASSI { 1143}
   (  segid "    " and resid 35   and name HB% )
   (( segid "    " and resid 34   and name HA  ))
      5.700     4.000     0.300 peak  1143 spectrum    1 weight  0.10000E+01 volume  0.85639E-04 ppm1      1.261 ppm2      3.834 CV     1
 OR { 1143}
   (( segid "    " and resid 108  and name HG1 ))
   (( segid "    " and resid 82   and name HB  ))
 ASSI { 1144}
   (  segid "    " and resid 35   and name HB% )
   (( segid "    " and resid 33   and name HA2 ))
      3.800     1.800     1.800 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.22470E-03 ppm1      1.241 ppm2      3.696 CV     1
 OR { 1144}
   (  segid "    " and resid 35   and name HB% )
   (( segid "    " and resid 59   and name HD1 ))
 ASSI { 1147}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 76   and name HB  ))
      4.500     2.500     1.500 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.24716E-03 ppm1      1.241 ppm2      4.031 CV     1
 OR { 1147}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 15   and name HB  ))
 OR { 1147}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 15   and name HB  ))
 ASSI { 1182}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 76   and name HB  ))
      4.600     2.600     1.400 peak  1182 spectrum    1 weight  0.10000E+01 volume  0.23954E-03 ppm1      0.676 ppm2      3.992 CV     1
 OR { 1182}
   (( segid "    " and resid 87   and name HG  ))
   (( segid "    " and resid 10   and name HA  ))
 ASSI { 1184}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 74   and name HB1 ))
      3.400     1.400     1.400 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.56386E-03 ppm1      0.646 ppm2      3.205 CV     1
 OR { 1184}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 18   and name HA  ))
 ASSI { 1194}
   (  segid "    " and resid 16   and name HG1%)
   (( segid "    " and resid 18   and name HA  ))
      4.700     2.800     1.300 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.35443E-03 ppm1      0.510 ppm2      3.195 CV     1
 OR { 1194}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 29   and name HB1 ))
 ASSI { 1229}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 86   and name HA  ))
      4.700     2.800     1.300 peak  1229 spectrum    1 weight  0.10000E+01 volume  0.23868E-03 ppm1      4.864 ppm2      5.387 CV     1
 OR { 1229}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 53   and name HA  ))
 ASSI { 1230}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 13   and name HA  ))
      4.100     2.100     1.900 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.50027E-03 ppm1      4.648 ppm2      5.324 CV     1
 OR { 1230}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 102  and name HA  ))
 ASSI { 1232}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 104  and name HA  ))
      4.000     2.000     2.000 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.56810E-03 ppm1      4.306 ppm2      5.328 CV     1
 OR { 1232}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI { 1235}
   (( segid "    " and resid 27   and name HD1 ))
   (( segid "    " and resid 27   and name HA  ))
      3.200     1.300     1.300 peak  1235 spectrum    1 weight  0.10000E+01 volume  0.14202E-02 ppm1      4.072 ppm2      4.815 CV     1
 OR { 1235}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 52   and name HA  ))
 ASSI { 1236}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 47   and name HA  ))
      3.200     1.200     1.200 peak  1236 spectrum    1 weight  0.10000E+01 volume  0.22554E-02 ppm1      4.054 ppm2      4.455 CV     1
 OR { 1236}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 9   and name HA  ))
 ASSI { 1238}
   (( segid "    " and resid 27   and name HD1 ))
   (( segid "    " and resid 6    and name HA  ))
      4.200     2.200     1.800 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.52147E-03 ppm1      4.036 ppm2      5.129 CV     1
 OR { 1238}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 75   and name HA  ))
 ASSI { 1248}
   (( segid "    " and resid 30   and name HD1 ))
   (( segid "    " and resid 30   and name HA  ))
      6.000     6.000     0.000 peak  1248 spectrum    1 weight  0.10000E+01 volume  0.10344E-04 ppm1      3.907 ppm2      4.725 CV     1
 OR { 1248}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 26   and name HA  ))
 ASSI { 1251}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 59   and name HA  ))
      5.100     3.200     0.900 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.94966E-04 ppm1      3.849 ppm2      4.495 CV     1
 OR { 1251}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 78   and name HA  ))
 ASSI { 1255}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 78   and name HA  ))
      6.000     5.900     0.000 peak  1255 spectrum    1 weight  0.10000E+01 volume  0.18103E-04 ppm1      3.801 ppm2      4.456 CV     1
 OR { 1255}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 61   and name HA  ))
 OR { 1255}
   (( segid "    " and resid 49   and name HB1 ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI { 1256}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 76   and name HA  ))
      4.500     2.500     1.500 peak  1256 spectrum    1 weight  0.10000E+01 volume  0.34765E-03 ppm1      3.791 ppm2      4.846 CV     1
 OR { 1256}
   (( segid "    " and resid 70   and name HB  ))
   (( segid "    " and resid 27   and name HA  ))
 ASSI { 1259}
   (( segid "    " and resid 66   and name HA2 ))
   (( segid "    " and resid 60   and name HA  ))
      5.700     4.100     0.300 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.64017E-04 ppm1      3.771 ppm2      4.432 CV     1
 OR { 1259}
   (( segid "    " and resid 49   and name HB1 ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI { 1260}
   (( segid "    " and resid 66   and name HA2 ))
   (( segid "    " and resid 60   and name HA  ))
      5.200     3.400     0.800 peak  1260 spectrum    1 weight  0.10000E+01 volume  0.14838E-03 ppm1      3.776 ppm2      4.399 CV     1
 OR { 1260}
   (( segid "    " and resid 97   and name HB2 ))
   (( segid "    " and resid 98   and name HA  ))
 ASSI { 1262}
   (( segid "    " and resid 1    and name HB1 ))
   (( segid "    " and resid 4    and name HA  ))
      5.000     3.100     1.000 peak  1262 spectrum    1 weight  0.10000E+01 volume  0.15898E-03 ppm1      3.727 ppm2      4.892 CV     1
 OR { 1262}
   (( segid "    " and resid 1    and name HB1 ))
   (( segid "    " and resid 23   and name HA  ))
 OR { 1262}
   (( segid "    " and resid 2    and name HB1 ))
   (( segid "    " and resid 4    and name HA  ))
 ASSI { 1265}
   (( segid "    " and resid 2    and name HB1 ))
   (( segid "    " and resid 21   and name HA  ))
      3.400     1.500     1.500 peak  1265 spectrum    1 weight  0.10000E+01 volume  0.18569E-02 ppm1      3.696 ppm2      4.815 CV     1
 OR { 1265}
   (( segid "    " and resid 81   and name HA2 ))
   (( segid "    " and resid 108  and name HA  ))
 ASSI { 1288}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 106  and name HA  ))
      4.100     2.100     1.900 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.45787E-03 ppm1      4.318 ppm2      5.075 CV     1
 OR { 1288}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 57   and name HA  ))
 ASSI { 1296}
   (( segid "    " and resid 33   and name HA1 ))
   (( segid "    " and resid 32   and name HA  ))
      5.700     4.000     0.300 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.88183E-04 ppm1      4.272 ppm2      4.461 CV     1
 OR { 1296}
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 100  and name HA  ))
 OR { 1296}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 9   and name HA  ))
 ASSI { 1304}
   (( segid "    " and resid 95   and name HA2 ))
   (( segid "    " and resid 91   and name HA  ))
      6.000     6.000     0.000 peak  1304 spectrum    1 weight  0.10000E+01 volume  0.19502E-04 ppm1      3.791 ppm2      4.353 CV     1
 OR { 1304}
   (( segid "    " and resid 66   and name HA2 ))
   (( segid "    " and resid 67   and name HA  ))
 ASSI { 1340}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HB1 ))
      2.100     0.600     0.600 peak  1340 spectrum    1 weight  0.10000E+01 volume  0.43667E-02 ppm1      3.797 ppm2      3.958 CV     1
 OR { 1340}
   (( segid "    " and resid 97   and name HB2 ))
   (( segid "    " and resid 97   and name HB1 ))
 ASSI { 1347}
   (( segid "    " and resid 92   and name HD1 ))
   (( segid "    " and resid 95   and name HA2 ))
      3.000     3.000     3.000 peak  1347 spectrum    1 weight  0.10000E+01 volume  0.33789E-02 ppm1      3.507 ppm2      3.752 CV     1
 OR { 1347}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 40   and name HA2 ))
 ASSI { 1356}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 91   and name HD1 ))
      5.400     3.700     0.600 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.15941E-03 ppm1      2.370 ppm2      2.629 CV     1
 OR { 1356}
   (( segid "    " and resid 44   and name HG1 ))
   (( segid "    " and resid 46   and name HD2 ))
 ASSI { 1377}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 57   and name HB2 ))
      4.400     2.500     1.600 peak  1377 spectrum    1 weight  0.10000E+01 volume  0.69528E-03 ppm1      1.858 ppm2      2.602 CV     1
 OR { 1377}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 47   and name HB1 ))
 ASSI { 1390}
   (( segid "    " and resid 78   and name HD1 ))
   (( segid "    " and resid 50   and name HG1 ))
      3.600     1.600     1.600 peak  1390 spectrum    1 weight  0.10000E+01 volume  0.67408E-03 ppm1      1.597 ppm2      2.788 CV     1
 OR { 1390}
   (( segid "    " and resid 24   and name HG11))
   (( segid "    " and resid 73   and name HB1 ))
 ASSI { 1395}
   (  segid "    " and resid 79   and name HB% )
   (( segid "    " and resid 47   and name HB1 ))
      4.200     2.200     1.800 peak  1395 spectrum    1 weight  0.10000E+01 volume  0.29168E-03 ppm1      1.559 ppm2      2.625 CV     1
 OR { 1395}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 1396}
   (( segid "    " and resid 56   and name HD1 ))
   (( segid "    " and resid 72   and name HB2 ))
      2.400     0.700     0.700 peak  1396 spectrum    1 weight  0.10000E+01 volume  0.27600E-02 ppm1      1.500 ppm2      2.629 CV     1
 OR { 1396}
   (( segid "    " and resid 56   and name HD1 ))
   (( segid "    " and resid 56   and name HE1 ))
 ASSI { 1411}
   (  segid "    " and resid 109  and name HB% )
   (( segid "    " and resid 83   and name HB1 ))
      2.700     0.900     0.900 peak  1411 spectrum    1 weight  0.10000E+01 volume  0.51722E-02 ppm1      1.348 ppm2      2.867 CV     1
 OR { 1411}
   (( segid "    " and resid 78   and name HG1 ))
   (( segid "    " and resid 78   and name HE1 ))
 ASSI { 1415}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 36   and name HB2 ))
      4.300     2.300     1.700 peak  1415 spectrum    1 weight  0.10000E+01 volume  0.64865E-03 ppm1      1.249 ppm2      2.629 CV     1
 OR { 1415}
   (  segid "    " and resid 35   and name HB% )
   (( segid "    " and resid 36   and name HB2 ))
 ASSI { 1416}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 51   and name HB1 ))
      5.000     3.200     1.000 peak  1416 spectrum    1 weight  0.10000E+01 volume  0.24293E-03 ppm1      1.241 ppm2      2.897 CV     1
 OR { 1416}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 10   and name HB2 ))
 ASSI { 1418}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 73   and name HB1 ))
      4.200     2.200     1.800 peak  1418 spectrum    1 weight  0.10000E+01 volume  0.79703E-03 ppm1      1.242 ppm2      2.802 CV     1
 OR { 1418}
   (( segid "    " and resid 108  and name HG1 ))
   (( segid "    " and resid 83   and name HB2 ))
 ASSI { 1426}
   (( segid "    " and resid 56   and name HG1 ))
   (( segid "    " and resid 57   and name HB2 ))
      5.800     4.300     0.200 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.88183E-04 ppm1      0.964 ppm2      2.571 CV     1
 OR { 1426}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 57   and name HB2 ))
 ASSI { 1428}
   (  segid "    " and resid 77   and name HG1%)
   (( segid "    " and resid 51   and name HB1 ))
      4.600     2.600     1.400 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.41590E-03 ppm1      0.947 ppm2      2.891 CV     1
 OR { 1428}
   (  segid "    " and resid 82   and name HG2%)
   (( segid "    " and resid 83   and name HB1 ))
 ASSI { 1431}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 51   and name HB1 ))
      5.300     3.500     0.700 peak  1431 spectrum    1 weight  0.10000E+01 volume  0.13609E-03 ppm1      0.907 ppm2      2.885 CV     1
 OR { 1431}
   (  segid "    " and resid 77   and name HG1%)
   (( segid "    " and resid 51   and name HB1 ))
 ASSI { 1448}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 3    and name HB1 ))
      4.200     2.200     1.800 peak  1448 spectrum    1 weight  0.10000E+01 volume  0.26158E-03 ppm1      0.571 ppm2      2.991 CV     1
 OR { 1448}
   (  segid "    " and resid 24   and name HD1%)
   (( segid "    " and resid 72   and name HB1 ))
 OR { 1448}
   (( segid "    " and resid 24   and name HG12))
   (( segid "    " and resid 72   and name HB1 ))
 ASSI { 1449}
   (  segid "    " and resid 85   and name HG1%)
   (( segid "    " and resid 73   and name HB1 ))
      3.500     1.500     1.500 peak  1449 spectrum    1 weight  0.10000E+01 volume  0.11786E-02 ppm1      0.576 ppm2      2.831 CV     1
 OR { 1449}
   (( segid "    " and resid 24   and name HG12))
   (( segid "    " and resid 73   and name HB1 ))
 ASSI { 1476}
   (( segid "    " and resid 78   and name HG1 ))
   (( segid "    " and resid 50   and name HG2 ))
      4.100     2.100     1.900 peak  1476 spectrum    1 weight  0.10000E+01 volume  0.38792E-03 ppm1      1.376 ppm2      2.256 CV     1
 OR { 1476}
   (  segid "    " and resid 53   and name HG1%)
   (( segid "    " and resid 54   and name HG1 ))
 ASSI { 1479}
   (( segid "    " and resid 78   and name HG1 ))
   (( segid "    " and resid 50   and name HG2 ))
      3.900     1.900     1.900 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.50451E-03 ppm1      1.321 ppm2      2.257 CV     1
 OR { 1479}
   (  segid "    " and resid 31   and name HG2%)
   (( segid "    " and resid 89   and name HB1 ))
 OR { 1479}
   (  segid "    " and resid 53   and name HG1%)
   (( segid "    " and resid 54   and name HG1 ))
 ASSI { 1490}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 46   and name HB1 ))
      1.900     0.500     0.500 peak  1490 spectrum    1 weight  0.10000E+01 volume  0.11998E-01 ppm1      1.948 ppm2      2.282 CV     1
 OR { 1490}
   (( segid "    " and resid 48   and name HB1 ))
   (( segid "    " and resid 48   and name HG1 ))
 OR { 1490}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HG1 ))
 ASSI { 1492}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HB1 ))
      2.300     2.300     3.700 peak  1492 spectrum    1 weight  0.10000E+01 volume  0.26625E-02 ppm1      1.931 ppm2      2.144 CV     1
 OR { 1492}
   (( segid "    " and resid 96   and name HB2 ))
   (( segid "    " and resid 96   and name HB1 ))
 ASSI { 1504}
   (  segid "    " and resid 77   and name HG1%)
   (  segid "    " and resid 109  and name HB% )
      2.700     0.900     0.900 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.44515E-02 ppm1      0.946 ppm2      1.324 CV     1
 OR { 1504}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 25   and name HB2 ))
 ASSI { 1505}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 60   and name HG1 ))
      3.300     1.400     1.400 peak  1505 spectrum    1 weight  0.10000E+01 volume  0.91575E-03 ppm1      0.920 ppm2      1.959 CV     1
 OR { 1505}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 60   and name HB2 ))
 OR { 1505}
   (  segid "    " and resid 75   and name HG1%)
   (( segid "    " and resid 22   and name HB  ))
 ASSI { 1507}
   (  segid "    " and resid 82   and name HG2%)
   (  segid "    " and resid 84   and name HB% )
      3.200     1.200     1.200 peak  1507 spectrum    1 weight  0.10000E+01 volume  0.10472E-02 ppm1      0.922 ppm2      1.376 CV     1
 OR { 1507}
   (  segid "    " and resid 77   and name HG1%)
   (( segid "    " and resid 78   and name HG1 ))
 OR { 1507}
   (  segid "    " and resid 77   and name HG1%)
   (( segid "    " and resid 78   and name HB2 ))
 ASSI { 1508}
   (  segid "    " and resid 65   and name HD2%)
   (( segid "    " and resid 65   and name HG  ))
      2.500     0.800     0.800 peak  1508 spectrum    1 weight  0.10000E+01 volume  0.40742E-02 ppm1      0.895 ppm2      1.561 CV     1
 OR { 1508}
   (  segid "    " and resid 64   and name HD1%)
   (( segid "    " and resid 64   and name HG  ))
 ASSI { 1512}
   (  segid "    " and resid 65   and name HD2%)
   (( segid "    " and resid 65   and name HG  ))
      1.500     0.300     0.700 peak  1512 spectrum    1 weight  0.10000E+01 volume  0.87762E-01 ppm1      0.860 ppm2      1.577 CV     1
 OR { 1512}
   (  segid "    " and resid 64   and name HD1%)
   (( segid "    " and resid 64   and name HG  ))
 OR { 1512}
   (  segid "    " and resid 64   and name HD2%)
   (( segid "    " and resid 64   and name HG  ))
 ASSI { 1516}
   (  segid "    " and resid 22   and name HG1%)
   (  segid "    " and resid 109  and name HB% )
      1.700     1.700     4.300 peak  1516 spectrum    1 weight  0.10000E+01 volume  0.72072E-01 ppm1      0.826 ppm2      1.324 CV     1
 OR { 1516}
   (  segid "    " and resid 77   and name HG2%)
   (( segid "    " and resid 78   and name HG1 ))
 ASSI { 1517}
   (  segid "    " and resid 77   and name HG2%)
   (( segid "    " and resid 78   and name HB1 ))
      4.600     2.600     1.400 peak  1517 spectrum    1 weight  0.10000E+01 volume  0.23275E-03 ppm1      0.818 ppm2      1.830 CV     1
 OR { 1517}
   (  segid "    " and resid 22   and name HG1%)
   (( segid "    " and resid 23   and name HG1 ))
 OR { 1517}
   (  segid "    " and resid 22   and name HG1%)
   (( segid "    " and resid 18   and name HB  ))
 ASSI { 1524}
   (  segid "    " and resid 18   and name HG1%)
   (  segid "    " and resid 79   and name HB% )
      4.700     2.800     1.300 peak  1524 spectrum    1 weight  0.10000E+01 volume  0.22342E-03 ppm1      0.749 ppm2      1.573 CV     1
 OR { 1524}
   (  segid "    " and resid 18   and name HG1%)
   (( segid "    " and resid 78   and name HD1 ))
 ASSI { 1535}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 18   and name HB  ))
      4.800     2.900     1.200 peak  1535 spectrum    1 weight  0.10000E+01 volume  0.17509E-03 ppm1      0.647 ppm2      1.830 CV     1
 OR { 1535}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 23   and name HG1 ))
 ASSI { 1539}
   (( segid "    " and resid 24   and name HG12))
   (( segid "    " and resid 24   and name HG11))
      1.900     0.400     0.400 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.59778E-02 ppm1      0.600 ppm2      1.557 CV     1
 OR { 1539}
   (  segid "    " and resid 85   and name HG1%)
   (( segid "    " and resid 24   and name HG11))
 ASSI { 1541}
   (  segid "    " and resid 85   and name HG1%)
   (( segid "    " and resid 85   and name HB  ))
      2.300     0.700     0.700 peak  1541 spectrum    1 weight  0.10000E+01 volume  0.55538E-02 ppm1      0.590 ppm2      2.030 CV     1
 OR { 1541}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 75   and name HB  ))
 ASSI { 1550}
   (  segid "    " and resid 16   and name HG1%)
   (  segid "    " and resid 109  and name HB% )
      3.200     1.200     1.200 peak  1550 spectrum    1 weight  0.10000E+01 volume  0.38665E-02 ppm1      0.511 ppm2      1.325 CV     1
 OR { 1550}
   (  segid "    " and resid 16   and name HG1%)
   (  segid "    " and resid 17   and name HB% )
 ASSI {    2}
   (( segid "    " and resid 48   and name HB1 ))
   (( segid "    " and resid 48   and name HN  ))
      1.000     0.100     1.200 peak     2 spectrum    1 weight  0.10000E+01 volume  0.87460E+00 ppm1      1.957 ppm2      9.057 CV     1
 OR {    2}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 24   and name HN  ))
 ASSI {    5}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      1.500     1.500     4.500 peak     5 spectrum    1 weight  0.10000E+01 volume  0.13707E+00 ppm1      3.987 ppm2      8.503 CV     1
 OR {    5}
   (( segid "    " and resid 100  and name HB1 ))
   (( segid "    " and resid 89   and name HN  ))
 ASSI {   17}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 83   and name HN  ))
      1.600     0.300     0.600 peak    17 spectrum    1 weight  0.10000E+01 volume  0.29664E-01 ppm1      4.909 ppm2      9.022 CV     1
 OR {   17}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
 ASSI {   23}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 24   and name HG12))
      2.200     2.200     3.800 peak    23 spectrum    1 weight  0.10000E+01 volume  0.20023E-01 ppm1      5.327 ppm2      0.584 CV     1
 OR {   23}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 75   and name HG2%)
 ASSI {   36}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      1.900     0.500     0.500 peak    36 spectrum    1 weight  0.10000E+01 volume  0.13502E-01 ppm1      4.922 ppm2      9.063 CV     1
 OR {   36}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
 ASSI {   45}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      1.900     0.500     0.500 peak    45 spectrum    1 weight  0.10000E+01 volume  0.11175E-01 ppm1      5.082 ppm2      9.593 CV     1
 OR {   45}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 71   and name HN  ))
 ASSI {   50}
   (( segid "    " and resid 85   and name HB  ))
   (( segid "    " and resid 85   and name HN  ))
      2.200     0.600     0.600 peak    50 spectrum    1 weight  0.10000E+01 volume  0.10510E-01 ppm1      2.031 ppm2      8.595 CV     1
 OR {   50}
   (( segid "    " and resid 77   and name HB  ))
   (( segid "    " and resid 78   and name HN  ))
 ASSI {   53}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 88   and name HN  ))
      2.000     0.500     0.500 peak    53 spectrum    1 weight  0.10000E+01 volume  0.99218E-02 ppm1      4.865 ppm2      9.387 CV     1
 OR {   53}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
 ASSI {   62}
   (  segid "    " and resid 109  and name HB% )
   (( segid "    " and resid 109  and name HN  ))
      2.100     0.600     0.600 peak    62 spectrum    1 weight  0.10000E+01 volume  0.92057E-02 ppm1      1.341 ppm2      9.065 CV     1
 OR {   62}
   (  segid "    " and resid 84   and name HB% )
   (( segid "    " and resid 84   and name HN  ))
 ASSI {   74}
   (  segid "    " and resid 106  and name HD% )
   (( segid "    " and resid 106  and name HN  ))
      2.300     0.600     0.600 peak    74 spectrum    1 weight  0.10000E+01 volume  0.81063E-02 ppm1      6.695 ppm2      8.653 CV     1
 OR {   74}
   (  segid "    " and resid 51   and name HD% )
   (( segid "    " and resid 77   and name HN  ))
 ASSI {   88}
   (( segid "    " and resid 41   and name HA2 ))
   (( segid "    " and resid 41   and name HN  ))
      2.200     0.600     0.600 peak    88 spectrum    1 weight  0.10000E+01 volume  0.69556E-02 ppm1      3.164 ppm2      8.647 CV     1
 OR {   88}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI {  106}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB1 ))
      2.200     0.600     0.600 peak   106 spectrum    1 weight  0.10000E+01 volume  0.59839E-02 ppm1      4.870 ppm2      2.165 CV     1
 OR {  106}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB1 ))
 ASSI {  118}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 75   and name HG2%)
      2.700     0.900     0.900 peak   118 spectrum    1 weight  0.10000E+01 volume  0.55491E-02 ppm1      5.380 ppm2      0.586 CV     1
 OR {  118}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 75   and name HG2%)
 ASSI {  124}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 46   and name HD1 ))
      2.400     0.700     0.700 peak   124 spectrum    1 weight  0.10000E+01 volume  0.54724E-02 ppm1      1.850 ppm2      3.205 CV     1
 OR {  124}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI {  128}
   (  segid "    " and resid 53   and name HG1%)
   (( segid "    " and resid 54   and name HN  ))
      2.600     0.900     0.900 peak   128 spectrum    1 weight  0.10000E+01 volume  0.54213E-02 ppm1      1.349 ppm2      8.588 CV     1
 OR {  128}
   (  segid "    " and resid 84   and name HB% )
   (( segid "    " and resid 85   and name HN  ))
 ASSI {  154}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HB  ))
      2.500     0.800     0.800 peak   154 spectrum    1 weight  0.10000E+01 volume  0.49354E-02 ppm1      4.031 ppm2      2.026 CV     1
 OR {  154}
   (( segid "    " and resid 27   and name HD1 ))
   (( segid "    " and resid 27   and name HG2 ))
 ASSI {  155}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      2.300     0.700     0.700 peak   155 spectrum    1 weight  0.10000E+01 volume  0.49354E-02 ppm1      4.468 ppm2      8.412 CV     1
 OR {  155}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HN  ))
 ASSI {  177}
   (( segid "    " and resid 33   and name HA1 ))
   (( segid "    " and resid 33   and name HN  ))
      2.300     0.700     0.700 peak   177 spectrum    1 weight  0.10000E+01 volume  0.42961E-02 ppm1      4.299 ppm2      7.827 CV     1
 OR {  177}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
 ASSI {  193}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 18   and name HN  ))
      2.800     1.000     1.000 peak   193 spectrum    1 weight  0.10000E+01 volume  0.39636E-02 ppm1      1.853 ppm2      8.413 CV     1
 OR {  193}
   (( segid "    " and resid 60   and name HG2 ))
   (( segid "    " and resid 61   and name HN  ))
 ASSI {  194}
   (( segid "    " and resid 78   and name HD1 ))
   (( segid "    " and resid 78   and name HN  ))
      2.600     0.800     0.800 peak   194 spectrum    1 weight  0.10000E+01 volume  0.39636E-02 ppm1      1.565 ppm2      8.555 CV     1
 OR {  194}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 26   and name HN  ))
 ASSI {  195}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 106  and name HB1 ))
      2.200     0.600     0.600 peak   195 spectrum    1 weight  0.10000E+01 volume  0.39381E-02 ppm1      5.041 ppm2      3.104 CV     1
 OR {  195}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HB1 ))
 ASSI {  197}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HB2 ))
      2.700     0.900     0.900 peak   197 spectrum    1 weight  0.10000E+01 volume  0.39125E-02 ppm1      5.064 ppm2      2.589 CV     1
 OR {  197}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 57   and name HB2 ))
 ASSI {  198}
   (  segid "    " and resid 84   and name HB% )
   (( segid "    " and resid 85   and name HN  ))
      2.900     1.000     1.000 peak   198 spectrum    1 weight  0.10000E+01 volume  0.39125E-02 ppm1      1.343 ppm2      8.561 CV     1
 OR {  198}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
 ASSI {  205}
   (( segid "    " and resid 40   and name HA2 ))
   (( segid "    " and resid 41   and name HN  ))
      2.300     0.700     0.700 peak   205 spectrum    1 weight  0.10000E+01 volume  0.38358E-02 ppm1      3.789 ppm2      8.662 CV     1
 OR {  205}
   (( segid "    " and resid 66   and name HA2 ))
   (( segid "    " and resid 66   and name HN  ))
 ASSI {  228}
   (( segid "    " and resid 95   and name HA1 ))
   (( segid "    " and resid 90   and name HB2 ))
      2.900     1.100     1.100 peak   228 spectrum    1 weight  0.10000E+01 volume  0.35290E-02 ppm1      4.243 ppm2      1.408 CV     1
 OR {  228}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HG1 ))
 ASSI {  239}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 36   and name HB2 ))
      2.400     0.700     0.700 peak   239 spectrum    1 weight  0.10000E+01 volume  0.34011E-02 ppm1      1.854 ppm2      2.656 CV     1
 OR {  239}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 46   and name HD2 ))
 ASSI {  290}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 103  and name HD% )
      2.800     1.000     1.000 peak   290 spectrum    1 weight  0.10000E+01 volume  0.28896E-02 ppm1      3.880 ppm2      6.716 CV     1
 OR {  290}
   (( segid "    " and resid 41   and name HA1 ))
   (  segid "    " and resid 37   and name HE% )
 ASSI {  331}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 58   and name HN  ))
      2.800     1.000     1.000 peak   331 spectrum    1 weight  0.10000E+01 volume  0.26083E-02 ppm1      2.640 ppm2      8.478 CV     1
 OR {  331}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 63   and name HN  ))
 ASSI {  332}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 40   and name HN  ))
      2.500     0.800     0.800 peak   332 spectrum    1 weight  0.10000E+01 volume  0.26083E-02 ppm1      3.444 ppm2      8.963 CV     1
 OR {  332}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 38   and name HN  ))
 ASSI {  347}
   (( segid "    " and resid 53   and name HB  ))
   (( segid "    " and resid 53   and name HN  ))
      2.900     1.100     1.100 peak   347 spectrum    1 weight  0.10000E+01 volume  0.24984E-02 ppm1      2.174 ppm2      8.896 CV     1
 OR {  347}
   (( segid "    " and resid 27   and name HG1 ))
   (( segid "    " and resid 7    and name HN  ))
 ASSI {  354}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 5    and name HN  ))
      2.600     0.900     0.900 peak   354 spectrum    1 weight  0.10000E+01 volume  0.24652E-02 ppm1      1.873 ppm2      8.941 CV     1
 OR {  354}
   (  segid "    " and resid 90   and name HE% )
   (( segid "    " and resid 40   and name HN  ))
 ASSI {  357}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 106  and name HN  ))
      2.900     1.000     1.000 peak   357 spectrum    1 weight  0.10000E+01 volume  0.24575E-02 ppm1      1.566 ppm2      8.654 CV     1
 OR {  357}
   (  segid "    " and resid 79   and name HB% )
   (( segid "    " and resid 80   and name HN  ))
 ASSI {  367}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 47   and name HN  ))
      2.900     1.000     1.000 peak   367 spectrum    1 weight  0.10000E+01 volume  0.23961E-02 ppm1      1.820 ppm2      7.560 CV     1
 OR {  367}
   (( segid "    " and resid 92   and name HG1 ))
   (( segid "    " and resid 93   and name HE3 ))
 ASSI {  376}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 92   and name HD1 ))
      2.900     1.100     3.100 peak   376 spectrum    1 weight  0.10000E+01 volume  0.23628E-02 ppm1      2.509 ppm2      3.503 CV     1
 OR {  376}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 38   and name HB1 ))
 ASSI {  380}
   (( segid "    " and resid 107  and name HB1 ))
   (( segid "    " and resid 107  and name HN  ))
      2.800     1.000     1.000 peak   380 spectrum    1 weight  0.10000E+01 volume  0.23475E-02 ppm1      1.881 ppm2      9.144 CV     1
 OR {  380}
   (( segid "    " and resid 107  and name HB1 ))
   (( segid "    " and resid 108  and name HN  ))
 ASSI {  381}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 103  and name HB2 ))
      3.400     1.400     1.400 peak   381 spectrum    1 weight  0.10000E+01 volume  0.23449E-02 ppm1      4.862 ppm2      2.253 CV     1
 OR {  381}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 55   and name HB1 ))
 ASSI {  385}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 66   and name HA2 ))
      3.000     1.100     1.100 peak   385 spectrum    1 weight  0.10000E+01 volume  0.23270E-02 ppm1      1.945 ppm2      3.746 CV     1
 OR {  385}
   (( segid "    " and resid 96   and name HG1 ))
   (( segid "    " and resid 95   and name HA2 ))
 ASSI {  390}
   (( segid "    " and resid 48   and name HG1 ))
   (( segid "    " and resid 48   and name HN  ))
      3.000     1.100     1.100 peak   390 spectrum    1 weight  0.10000E+01 volume  0.23066E-02 ppm1      2.251 ppm2      9.056 CV     1
 OR {  390}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HN  ))
 ASSI {  427}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HG2 ))
      2.700     0.900     0.900 peak   427 spectrum    1 weight  0.10000E+01 volume  0.21660E-02 ppm1      5.063 ppm2      2.311 CV     1
 OR {  427}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 71   and name HG2 ))
 ASSI {  428}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 83   and name HB1 ))
      3.100     1.200     1.200 peak   428 spectrum    1 weight  0.10000E+01 volume  0.21583E-02 ppm1      0.583 ppm2      2.889 CV     1
 OR {  428}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 51   and name HB1 ))
 ASSI {  441}
   (( segid "    " and resid 25   and name HG1 ))
   (( segid "    " and resid 72   and name HE1 ))
      2.900     1.000     1.000 peak   441 spectrum    1 weight  0.10000E+01 volume  0.21123E-02 ppm1      1.846 ppm2      7.953 CV     1
 OR {  441}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 44   and name HN  ))
 ASSI {  472}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 4    and name HN  ))
      3.200     1.300     1.300 peak   472 spectrum    1 weight  0.10000E+01 volume  0.20023E-02 ppm1      2.883 ppm2      8.551 CV     1
 OR {  472}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 78   and name HN  ))
 ASSI {  483}
   (( segid "    " and resid 87   and name HB1 ))
   (( segid "    " and resid 36   and name HZ3 ))
      3.200     1.300     1.300 peak   483 spectrum    1 weight  0.10000E+01 volume  0.19511E-02 ppm1      1.474 ppm2      6.765 CV     1
 OR {  483}
   (( segid "    " and resid 56   and name HD1 ))
   (( segid "    " and resid 74   and name HD2 ))
 ASSI {  485}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 25   and name HE22))
      3.000     1.100     1.100 peak   485 spectrum    1 weight  0.10000E+01 volume  0.19461E-02 ppm1      1.552 ppm2      6.677 CV     1
 OR {  485}
   (( segid "    " and resid 78   and name HD1 ))
   (  segid "    " and resid 51   and name HD% )
 ASSI {  492}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
      2.600     0.800     0.800 peak   492 spectrum    1 weight  0.10000E+01 volume  0.19256E-02 ppm1      4.917 ppm2      1.342 CV     1
 OR {  492}
   (( segid "    " and resid 83   and name HA  ))
   (  segid "    " and resid 84   and name HB% )
 ASSI {  506}
   (( segid "    " and resid 24   and name HG11))
   (( segid "    " and resid 24   and name HN  ))
      3.400     1.400     1.400 peak   506 spectrum    1 weight  0.10000E+01 volume  0.18795E-02 ppm1      1.550 ppm2      9.061 CV     1
 OR {  506}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 24   and name HN  ))
 ASSI {  524}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 75   and name HG1%)
      3.100     1.200     1.200 peak   524 spectrum    1 weight  0.10000E+01 volume  0.18310E-02 ppm1      3.563 ppm2      0.900 CV     1
 OR {  524}
   (( segid "    " and resid 60   and name HD1 ))
   (  segid "    " and resid 65   and name HD1%)
 ASSI {  531}
   (( segid "    " and resid 64   and name HA  ))
   (  segid "    " and resid 64   and name HD2%)
      3.000     1.100     1.100 peak   531 spectrum    1 weight  0.10000E+01 volume  0.18105E-02 ppm1      4.376 ppm2      0.842 CV     1
 OR {  531}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 5    and name HG1%)
 ASSI {  539}
   (( segid "    " and resid 108  and name HB2 ))
   (( segid "    " and resid 108  and name HN  ))
      3.100     1.200     1.200 peak   539 spectrum    1 weight  0.10000E+01 volume  0.17823E-02 ppm1      1.261 ppm2      9.146 CV     1
 OR {  539}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 43   and name HN  ))
 ASSI {  540}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 72   and name HD2 ))
      3.200     1.200     1.200 peak   540 spectrum    1 weight  0.10000E+01 volume  0.17773E-02 ppm1      0.943 ppm2      6.738 CV     1
 OR {  540}
   (  segid "    " and resid 75   and name HG1%)
   (( segid "    " and resid 83   and name HD2 ))
 ASSI {  566}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      2.900     1.000     1.000 peak   566 spectrum    1 weight  0.10000E+01 volume  0.16622E-02 ppm1      4.574 ppm2      8.473 CV     1
 OR {  566}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 81   and name HN  ))
 ASSI {  568}
   (( segid "    " and resid 40   and name HA2 ))
   (( segid "    " and resid 42   and name HN  ))
      3.000     1.100     1.100 peak   568 spectrum    1 weight  0.10000E+01 volume  0.16545E-02 ppm1      3.808 ppm2      7.327 CV     1
 OR {  568}
   (( segid "    " and resid 49   and name HB1 ))
   (( segid "    " and resid 50   and name HN  ))
 ASSI {  582}
   (( segid "    " and resid 36   and name HB2 ))
   (  segid "    " and resid 57   and name HD% )
      3.200     1.300     1.300 peak   582 spectrum    1 weight  0.10000E+01 volume  0.16111E-02 ppm1      2.641 ppm2      7.201 CV     1
 OR {  582}
   (( segid "    " and resid 91   and name HD1 ))
   (( segid "    " and resid 93   and name HH2 ))
 ASSI {  583}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 76   and name HN  ))
      3.300     1.400     1.400 peak   583 spectrum    1 weight  0.10000E+01 volume  0.16059E-02 ppm1      0.908 ppm2      8.715 CV     1
 OR {  583}
   (  segid "    " and resid 75   and name HG1%)
   (( segid "    " and resid 76   and name HN  ))
 ASSI {  597}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 96   and name HG1 ))
      3.300     1.400     1.400 peak   597 spectrum    1 weight  0.10000E+01 volume  0.15701E-02 ppm1      4.319 ppm2      2.008 CV     1
 OR {  597}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HG1 ))
 ASSI {  602}
   (( segid "    " and resid 60   and name HD1 ))
   (( segid "    " and resid 60   and name HG2 ))
      3.200     1.300     1.300 peak   602 spectrum    1 weight  0.10000E+01 volume  0.15420E-02 ppm1      3.577 ppm2      1.823 CV     1
 OR {  602}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 30   and name HB2 ))
 OR {  602}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 46   and name HG2 ))
 ASSI {  609}
   (( segid "    " and resid 87   and name HG  ))
   (  segid "    " and resid 103  and name HE% )
      3.100     1.200     1.200 peak   609 spectrum    1 weight  0.10000E+01 volume  0.15215E-02 ppm1      0.673 ppm2      6.911 CV     1
 OR {  609}
   (  segid "    " and resid 105  and name HG2%)
   (  segid "    " and resid 103  and name HE% )
 ASSI {  621}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 5    and name HG1%)
      3.600     1.600     1.600 peak   621 spectrum    1 weight  0.10000E+01 volume  0.14883E-02 ppm1      4.861 ppm2      0.820 CV     1
 OR {  621}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 22   and name HG1%)
 OR {  621}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 77   and name HG2%)
 ASSI {  636}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HB2 ))
      2.800     1.000     1.000 peak   636 spectrum    1 weight  0.10000E+01 volume  0.14551E-02 ppm1      4.861 ppm2      1.504 CV     1
 OR {  636}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HB1 ))
 ASSI {  638}
   (  segid "    " and resid 77   and name HG1%)
   (( segid "    " and resid 47   and name HB1 ))
      3.400     1.400     1.400 peak   638 spectrum    1 weight  0.10000E+01 volume  0.14473E-02 ppm1      0.917 ppm2      2.594 CV     1
 OR {  638}
   (  segid "    " and resid 64   and name HD1%)
   (( segid "    " and resid 61   and name HB1 ))
 ASSI {  646}
   (( segid "    " and resid 77   and name HB  ))
   (( segid "    " and resid 77   and name HN  ))
      3.200     1.300     1.300 peak   646 spectrum    1 weight  0.10000E+01 volume  0.14244E-02 ppm1      2.031 ppm2      8.655 CV     1
 OR {  646}
   (( segid "    " and resid 16   and name HB  ))
   (( segid "    " and resid 16   and name HN  ))
 ASSI {  651}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 25   and name HE21))
      3.100     1.200     1.200 peak   651 spectrum    1 weight  0.10000E+01 volume  0.14141E-02 ppm1      4.884 ppm2      7.265 CV     1
 OR {  651}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HE21))
 ASSI {  665}
   (( segid "    " and resid 78   and name HG1 ))
   (( segid "    " and resid 50   and name HG2 ))
      3.200     1.300     1.300 peak   665 spectrum    1 weight  0.10000E+01 volume  0.13835E-02 ppm1      1.329 ppm2      2.252 CV     1
 OR {  665}
   (  segid "    " and resid 31   and name HG2%)
   (( segid "    " and resid 89   and name HB1 ))
 ASSI {  673}
   (  segid "    " and resid 22   and name HG1%)
   (( segid "    " and resid 3    and name HB2 ))
      3.600     1.600     1.600 peak   673 spectrum    1 weight  0.10000E+01 volume  0.13553E-02 ppm1      0.820 ppm2      2.887 CV     1
 OR {  673}
   (  segid "    " and resid 77   and name HG2%)
   (( segid "    " and resid 51   and name HB1 ))
 ASSI {  682}
   (( segid "    " and resid 53   and name HB  ))
   (( segid "    " and resid 54   and name HN  ))
      3.100     1.200     1.200 peak   682 spectrum    1 weight  0.10000E+01 volume  0.13246E-02 ppm1      2.170 ppm2      8.607 CV     1
 OR {  682}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 54   and name HN  ))
 ASSI {  686}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 75   and name HG2%)
      3.400     1.400     1.400 peak   686 spectrum    1 weight  0.10000E+01 volume  0.13195E-02 ppm1      4.868 ppm2      0.584 CV     1
 OR {  686}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 24   and name HD1%)
 ASSI {  703}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 44   and name HG1 ))
      3.700     1.700     1.700 peak   703 spectrum    1 weight  0.10000E+01 volume  0.12914E-02 ppm1      4.862 ppm2      2.338 CV     1
 OR {  703}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 20   and name HB1 ))
 ASSI {  707}
   (  segid "    " and resid 82   and name HG2%)
   (( segid "    " and resid 82   and name HN  ))
      3.600     1.600     1.600 peak   707 spectrum    1 weight  0.10000E+01 volume  0.12863E-02 ppm1      0.928 ppm2      8.116 CV     1
 OR {  707}
   (  segid "    " and resid 64   and name HD1%)
   (( segid "    " and resid 65   and name HN  ))
 ASSI {  714}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 108  and name HB1 ))
      3.000     1.100     1.100 peak   714 spectrum    1 weight  0.10000E+01 volume  0.12709E-02 ppm1      4.941 ppm2      1.795 CV     1
 OR {  714}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB2 ))
 ASSI {  719}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 34   and name HB2 ))
      3.700     1.700     1.700 peak   719 spectrum    1 weight  0.10000E+01 volume  0.12658E-02 ppm1      4.694 ppm2      0.746 CV     1
 OR {  719}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 18   and name HG1%)
 ASSI {  721}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 16   and name HB  ))
      3.400     1.400     1.400 peak   721 spectrum    1 weight  0.10000E+01 volume  0.12658E-02 ppm1      5.078 ppm2      2.028 CV     1
 OR {  721}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 77   and name HB  ))
 ASSI {  759}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      3.100     1.200     1.200 peak   759 spectrum    1 weight  0.10000E+01 volume  0.12070E-02 ppm1      9.062 ppm2      9.605 CV     1
 OR {  759}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
 ASSI {  761}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 35   and name HN  ))
      3.100     1.200     1.200 peak   761 spectrum    1 weight  0.10000E+01 volume  0.12019E-02 ppm1      0.778 ppm2      7.822 CV     1
 OR {  761}
   (  segid "    " and resid 105  and name HG1%)
   (( segid "    " and resid 105  and name HN  ))
 ASSI {  769}
   (  segid "    " and resid 35   and name HB% )
   (( segid "    " and resid 71   and name HB1 ))
      3.300     1.400     1.400 peak   769 spectrum    1 weight  0.10000E+01 volume  0.11865E-02 ppm1      1.240 ppm2      1.947 CV     1
 OR {  769}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 60   and name HB2 ))
 OR {  769}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 48   and name HB1 ))
 OR {  769}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 59   and name HB1 ))
 ASSI {  785}
   (  segid "    " and resid 85   and name HG1%)
   (( segid "    " and resid 73   and name HB2 ))
      3.600     1.600     1.600 peak   785 spectrum    1 weight  0.10000E+01 volume  0.11457E-02 ppm1      0.594 ppm2      2.591 CV     1
 OR {  785}
   (( segid "    " and resid 24   and name HG12))
   (( segid "    " and resid 73   and name HB2 ))
 ASSI {  790}
   (( segid "    " and resid 70   and name HB  ))
   (( segid "    " and resid 70   and name HN  ))
      3.100     1.200     1.200 peak   790 spectrum    1 weight  0.10000E+01 volume  0.11405E-02 ppm1      3.784 ppm2      8.389 CV     1
 OR {  790}
   (( segid "    " and resid 66   and name HA2 ))
   (( segid "    " and resid 61   and name HN  ))
 ASSI {  795}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HB1 ))
      3.400     1.400     1.400 peak   795 spectrum    1 weight  0.10000E+01 volume  0.11277E-02 ppm1      3.903 ppm2      1.823 CV     1
 OR {  795}
   (( segid "    " and resid 30   and name HD1 ))
   (( segid "    " and resid 30   and name HB2 ))
 ASSI {  797}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 91   and name HB1 ))
      2.900     1.100     1.100 peak   797 spectrum    1 weight  0.10000E+01 volume  0.11252E-02 ppm1      4.334 ppm2      0.742 CV     1
 OR {  797}
   (( segid "    " and resid 33   and name HA1 ))
   (( segid "    " and resid 91   and name HB1 ))
 ASSI {  801}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 51   and name HB1 ))
      3.700     1.700     1.700 peak   801 spectrum    1 weight  0.10000E+01 volume  0.11226E-02 ppm1      1.238 ppm2      2.882 CV     1
 OR {  801}
   (( segid "    " and resid 108  and name HG1 ))
   (( segid "    " and resid 83   and name HB1 ))
 ASSI {  809}
   (( segid "    " and resid 24   and name HG11))
   (  segid "    " and resid 103  and name HE% )
      3.600     1.600     1.600 peak   809 spectrum    1 weight  0.10000E+01 volume  0.11124E-02 ppm1      1.556 ppm2      6.882 CV     1
 OR {  809}
   (  segid "    " and resid 12   and name HB% )
   (  segid "    " and resid 103  and name HE% )
 ASSI {  813}
   (( segid "    " and resid 36   and name HH2 ))
   (( segid "    " and resid 102  and name HN  ))
      3.300     1.300     1.300 peak   813 spectrum    1 weight  0.10000E+01 volume  0.11073E-02 ppm1      6.764 ppm2      8.489 CV     1
 OR {  813}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 58   and name HN  ))
 ASSI {  824}
   (  segid "    " and resid 105  and name HG1%)
   (( segid "    " and resid 106  and name HN  ))
      3.600     1.600     1.600 peak   824 spectrum    1 weight  0.10000E+01 volume  0.10919E-02 ppm1      0.818 ppm2      8.654 CV     1
 OR {  824}
   (  segid "    " and resid 77   and name HG2%)
   (( segid "    " and resid 77   and name HN  ))
 ASSI {  842}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 36   and name HD1 ))
      3.900     1.900     1.900 peak   842 spectrum    1 weight  0.10000E+01 volume  0.10715E-02 ppm1      4.117 ppm2      7.402 CV     1
 OR {  842}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
 ASSI {  853}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 109  and name HN  ))
      3.300     1.300     1.300 peak   853 spectrum    1 weight  0.10000E+01 volume  0.10536E-02 ppm1      8.452 ppm2      9.070 CV     1
 OR {  853}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
 ASSI {  857}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 58   and name HD% )
      3.400     1.500     1.500 peak   857 spectrum    1 weight  0.10000E+01 volume  0.10459E-02 ppm1      1.469 ppm2      6.815 CV     1
 OR {  857}
   (( segid "    " and resid 90   and name HB2 ))
   (  segid "    " and resid 37   and name HD% )
 ASSI {  871}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 9   and name HD2 ))
      3.400     1.500     1.500 peak   871 spectrum    1 weight  0.10000E+01 volume  0.10075E-02 ppm1      0.580 ppm2      7.019 CV     1
 OR {  871}
   (  segid "    " and resid 24   and name HD1%)
   (( segid "    " and resid 3    and name HD2 ))
 OR {  871}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 3    and name HD2 ))
 ASSI {  876}
   (  segid "    " and resid 109  and name HB% )
   (( segid "    " and resid 83   and name HD2 ))
      3.500     1.500     1.500 peak   876 spectrum    1 weight  0.10000E+01 volume  0.99984E-03 ppm1      1.320 ppm2      6.738 CV     1
 OR {  876}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 74   and name HD2 ))
 ASSI {  899}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 105  and name HG2%)
      3.700     1.700     1.700 peak   899 spectrum    1 weight  0.10000E+01 volume  0.96154E-03 ppm1      5.355 ppm2      0.719 CV     1
 OR {  899}
   (( segid "    " and resid 104  and name HA  ))
   (  segid "    " and resid 105  and name HG2%)
 ASSI {  912}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      3.300     1.400     1.400 peak   912 spectrum    1 weight  0.10000E+01 volume  0.94105E-03 ppm1      7.552 ppm2      7.829 CV     1
 OR {  912}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 10   and name HD21))
 ASSI {  918}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 38   and name HE% )
      3.800     1.800     1.800 peak   918 spectrum    1 weight  0.10000E+01 volume  0.92823E-03 ppm1      4.891 ppm2      6.881 CV     1
 OR {  918}
   (( segid "    " and resid 25   and name HA  ))
   (  segid "    " and resid 73   and name HD% )
 OR {  918}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 38   and name HE% )
 ASSI {  930}
   (( segid "    " and resid 4    and name HD1 ))
   (( segid "    " and resid 4    and name HN  ))
      3.800     1.800     1.800 peak   930 spectrum    1 weight  0.10000E+01 volume  0.90783E-03 ppm1      1.469 ppm2      8.553 CV     1
 OR {  930}
   (( segid "    " and resid 56   and name HD1 ))
   (( segid "    " and resid 26   and name HN  ))
 ASSI {  945}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      3.500     1.500     1.500 peak   945 spectrum    1 weight  0.10000E+01 volume  0.88226E-03 ppm1      4.405 ppm2      7.955 CV     1
 OR {  945}
   (( segid "    " and resid 42   and name HB  ))
   (( segid "    " and resid 44   and name HN  ))
 ASSI {  949}
   (( segid "    " and resid 87   and name HA  ))
   (  segid "    " and resid 87   and name HD1%)
      4.100     2.100     1.900 peak   949 spectrum    1 weight  0.10000E+01 volume  0.87968E-03 ppm1      4.883 ppm2     -0.466 CV     1
 OR {  949}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 87   and name HD1%)
 ASSI {  958}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 90   and name HB2 ))
      4.000     2.000     2.000 peak   958 spectrum    1 weight  0.10000E+01 volume  0.84900E-03 ppm1      4.459 ppm2      1.471 CV     1
 OR {  958}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 90   and name HB2 ))
 ASSI {  978}
   (  segid "    " and resid 18   and name HG1%)
   (( segid "    " and resid 19   and name HA2 ))
      3.900     1.900     1.900 peak   978 spectrum    1 weight  0.10000E+01 volume  0.81319E-03 ppm1      0.741 ppm2      3.571 CV     1
 OR {  978}
   (( segid "    " and resid 91   and name HB1 ))
   (( segid "    " and resid 96   and name HD1 ))
 ASSI {  987}
   (  segid "    " and resid 16   and name HG2%)
   (  segid "    " and resid 82   and name HG2%)
      3.200     1.300     1.300 peak   987 spectrum    1 weight  0.10000E+01 volume  0.80041E-03 ppm1      0.263 ppm2      0.916 CV     1
 OR {  987}
   (  segid "    " and resid 16   and name HG2%)
   (  segid "    " and resid 77   and name HG1%)
 ASSI {  997}
   (  segid "    " and resid 77   and name HG1%)
   (( segid "    " and resid 47   and name HB1 ))
      3.600     1.600     1.600 peak   997 spectrum    1 weight  0.10000E+01 volume  0.77739E-03 ppm1      0.895 ppm2      2.628 CV     1
 OR {  997}
   (  segid "    " and resid 75   and name HG1%)
   (( segid "    " and resid 46   and name HD2 ))
 ASSI { 1004}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 58   and name HE% )
      3.900     1.900     1.900 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.77228E-03 ppm1      1.456 ppm2      6.980 CV     1
 OR { 1004}
   (( segid "    " and resid 7    and name HG1 ))
   (( segid "    " and resid 29   and name HD22))
 ASSI { 1012}
   (( segid "    " and resid 25   and name HG1 ))
   (( segid "    " and resid 72   and name HD2 ))
      3.600     1.600     1.600 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.76461E-03 ppm1      1.813 ppm2      6.769 CV     1
 OR { 1012}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 74   and name HD2 ))
 OR { 1012}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 83   and name HD2 ))
 ASSI { 1039}
   (( segid "    " and resid 40   and name HA2 ))
   (( segid "    " and resid 40   and name HA1 ))
      2.600     2.600     3.400 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.71091E-03 ppm1      3.784 ppm2      4.242 CV     1
 OR { 1039}
   (( segid "    " and resid 95   and name HA2 ))
   (( segid "    " and resid 95   and name HA1 ))
 ASSI { 1068}
   (( segid "    " and resid 88   and name HB  ))
   (  segid "    " and resid 90   and name HE% )
      3.700     1.700     1.700 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.66487E-03 ppm1      3.841 ppm2      1.823 CV     1
 OR { 1068}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 78   and name HB1 ))
 ASSI { 1072}
   (  segid "    " and resid 105  and name HG1%)
   (  segid "    " and resid 106  and name HD% )
      3.500     1.500     1.500 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.65720E-03 ppm1      0.783 ppm2      6.687 CV     1
 OR { 1072}
   (  segid "    " and resid 18   and name HG1%)
   (( segid "    " and resid 110  and name HD22))
 ASSI { 1074}
   (  segid "    " and resid 31   and name HG2%)
   (( segid "    " and resid 36   and name HZ2 ))
      3.600     1.600     1.600 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.65208E-03 ppm1      1.303 ppm2      6.976 CV     1
 OR { 1074}
   (  segid "    " and resid 31   and name HG2%)
   (( segid "    " and resid 29   and name HD22))
 ASSI { 1084}
   (( segid "    " and resid 66   and name HA1 ))
   (( segid "    " and resid 65   and name HN  ))
      4.000     2.000     2.000 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.63674E-03 ppm1      3.992 ppm2      8.119 CV     1
 OR { 1084}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 110  and name HN  ))
 ASSI { 1085}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      3.400     1.400     1.400 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.63163E-03 ppm1      4.884 ppm2      9.167 CV     1
 OR { 1085}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 1098}
   (( segid "    " and resid 66   and name HA2 ))
   (( segid "    " and resid 66   and name HA1 ))
      3.000     3.000     3.000 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.61373E-03 ppm1      3.806 ppm2      3.995 CV     1
 OR { 1098}
   (( segid "    " and resid 97   and name HB2 ))
   (( segid "    " and resid 97   and name HB1 ))
 ASSI { 1108}
   (( segid "    " and resid 108  and name HG1 ))
   (( segid "    " and resid 16   and name HN  ))
      4.100     2.100     1.900 peak  1108 spectrum    1 weight  0.10000E+01 volume  0.59839E-03 ppm1      1.225 ppm2      8.651 CV     1
 OR { 1108}
   (  segid "    " and resid 35   and name HB% )
   (( segid "    " and resid 41   and name HN  ))
 ASSI { 1109}
   (  segid "    " and resid 103  and name HD% )
   (( segid "    " and resid 103  and name HN  ))
      4.000     2.000     2.000 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.59839E-03 ppm1      6.691 ppm2      9.208 CV     1
 OR { 1109}
   (  segid "    " and resid 106  and name HD% )
   (( segid "    " and resid 107  and name HN  ))
 ASSI { 1110}
   (( segid "    " and resid 108  and name HB1 ))
   (( segid "    " and resid 110  and name HD22))
      3.600     1.600     1.600 peak  1110 spectrum    1 weight  0.10000E+01 volume  0.59583E-03 ppm1      1.772 ppm2      6.682 CV     1
 OR { 1110}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 25   and name HE22))
 ASSI { 1150}
   (( segid "    " and resid 107  and name HB1 ))
   (( segid "    " and resid 83   and name HB1 ))
      3.800     1.800     1.800 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.52678E-03 ppm1      1.909 ppm2      2.903 CV     1
 OR { 1150}
   (( segid "    " and resid 50   and name HB1 ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI { 1168}
   (( segid "    " and resid 43   and name HG1 ))
   (( segid "    " and resid 55   and name HN  ))
      3.900     1.900     1.900 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.50121E-03 ppm1      1.127 ppm2      9.072 CV     1
 OR { 1168}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 109  and name HN  ))
 ASSI { 1169}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 72   and name HA  ))
      3.900     1.900     1.900 peak  1169 spectrum    1 weight  0.10000E+01 volume  0.49610E-03 ppm1      5.069 ppm2      5.672 CV     1
 OR { 1169}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 72   and name HA  ))
 ASSI { 1193}
   (( segid "    " and resid 9   and name HB2 ))
   (  segid "    " and resid 103  and name HD% )
      4.100     2.100     1.900 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.44751E-03 ppm1      3.278 ppm2      6.688 CV     1
 OR { 1193}
   (( segid "    " and resid 104  and name HB  ))
   (  segid "    " and resid 103  and name HD% )
 ASSI { 1194}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 38   and name HB2 ))
      4.300     2.300     1.700 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.44495E-03 ppm1      1.226 ppm2      3.142 CV     1
 OR { 1194}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 38   and name HB2 ))
 OR { 1194}
   (  segid "    " and resid 35   and name HB% )
   (( segid "    " and resid 41   and name HA2 ))
 ASSI { 1201}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      4.700     2.700     1.300 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.43728E-03 ppm1      5.097 ppm2      7.958 CV     1
 OR { 1201}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 72   and name HE1 ))
 ASSI { 1210}
   (  segid "    " and resid 16   and name HG2%)
   (( segid "    " and resid 110  and name HD22))
      4.300     2.300     1.700 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.42705E-03 ppm1      0.263 ppm2      6.655 CV     1
 OR { 1210}
   (  segid "    " and resid 85   and name HG2%)
   (  segid "    " and resid 103  and name HD% )
 ASSI { 1215}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      4.000     2.000     2.000 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.42449E-03 ppm1      4.243 ppm2      7.779 CV     1
 OR { 1215}
   (( segid "    " and resid 31   and name HB  ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI { 1222}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 104  and name HN  ))
      3.800     1.800     1.800 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.41171E-03 ppm1      1.544 ppm2      7.555 CV     1
 OR { 1222}
   (( segid "    " and resid 24   and name HG11))
   (( segid "    " and resid 86   and name HD21))
 ASSI { 1224}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HN  ))
      3.900     1.900     1.900 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.40404E-03 ppm1      2.589 ppm2      8.424 CV     1
 OR { 1224}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 57   and name HN  ))
 ASSI { 1226}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HE22))
      4.500     2.600     1.500 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.39892E-03 ppm1      4.909 ppm2      6.676 CV     1
 OR { 1226}
   (( segid "    " and resid 87   and name HA  ))
   (  segid "    " and resid 103  and name HD% )
 ASSI { 1229}
   (  segid "    " and resid 77   and name HG1%)
   (( segid "    " and resid 77   and name HN  ))
      3.900     1.900     1.900 peak  1229 spectrum    1 weight  0.10000E+01 volume  0.39636E-03 ppm1      0.904 ppm2      8.656 CV     1
 OR { 1229}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 77   and name HN  ))
 ASSI { 1232}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      3.700     1.800     1.800 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.39381E-03 ppm1      4.323 ppm2      7.561 CV     1
 OR { 1232}
   (( segid "    " and resid 33   and name HA1 ))
   (( segid "    " and resid 34   and name HN  ))
 ASSI { 1234}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 47   and name HN  ))
      4.300     2.300     1.700 peak  1234 spectrum    1 weight  0.10000E+01 volume  0.38870E-03 ppm1      2.596 ppm2      7.562 CV     1
 OR { 1234}
   (( segid "    " and resid 91   and name HD1 ))
   (( segid "    " and resid 95   and name HN  ))
 ASSI { 1257}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 60   and name HG1 ))
      4.500     2.500     1.500 peak  1257 spectrum    1 weight  0.10000E+01 volume  0.36568E-03 ppm1      4.456 ppm2      2.012 CV     1
 OR { 1257}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 50   and name HE% )
 OR { 1257}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 85   and name HB  ))
 ASSI { 1263}
   (  segid "    " and resid 80   and name HB% )
   (( segid "    " and resid 110  and name HN  ))
      4.600     2.700     1.400 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.36057E-03 ppm1      1.410 ppm2      8.121 CV     1
 OR { 1263}
   (( segid "    " and resid 63   and name HG1 ))
   (( segid "    " and resid 65   and name HN  ))
 ASSI { 1271}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      4.500     2.500     1.500 peak  1271 spectrum    1 weight  0.10000E+01 volume  0.35545E-03 ppm1      8.605 ppm2      9.060 CV     1
 OR { 1271}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HN  ))
 ASSI { 1282}
   (( segid "    " and resid 26   and name HG  ))
   (( segid "    " and resid 36   and name HZ2 ))
      4.400     2.400     1.600 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.34778E-03 ppm1      0.399 ppm2      6.939 CV     1
 OR { 1282}
   (( segid "    " and resid 26   and name HG  ))
   (( segid "    " and resid 29   and name HD22))
 OR { 1282}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 29   and name HD22))
 ASSI { 1296}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 72   and name HE1 ))
      4.700     2.800     1.300 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.33755E-03 ppm1      3.037 ppm2      7.952 CV     1
 OR { 1296}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 74   and name HE1 ))
 ASSI { 1303}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 61   and name HB1 ))
      4.200     2.200     1.800 peak  1303 spectrum    1 weight  0.10000E+01 volume  0.32988E-03 ppm1      4.312 ppm2      2.593 CV     1
 OR { 1303}
   (( segid "    " and resid 33   and name HA1 ))
   (( segid "    " and resid 91   and name HD1 ))
 ASSI { 1339}
   (( segid "    " and resid 86   and name HA  ))
   (  segid "    " and resid 103  and name HE% )
      4.300     2.300     1.700 peak  1339 spectrum    1 weight  0.10000E+01 volume  0.29664E-03 ppm1      5.362 ppm2      6.878 CV     1
 OR { 1339}
   (( segid "    " and resid 86   and name HA  ))
   (  segid "    " and resid 38   and name HE% )
 ASSI { 1342}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HG2 ))
      4.300     2.300     1.700 peak  1342 spectrum    1 weight  0.10000E+01 volume  0.29408E-03 ppm1      4.843 ppm2      2.016 CV     1
 OR { 1342}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 77   and name HB  ))
 ASSI { 1343}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 93   and name HN  ))
      4.200     2.200     1.800 peak  1343 spectrum    1 weight  0.10000E+01 volume  0.29408E-03 ppm1      4.307 ppm2      6.890 CV     1
 OR { 1343}
   (( segid "    " and resid 105  and name HA  ))
   (  segid "    " and resid 103  and name HE% )
 OR { 1343}
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 93   and name HN  ))
 ASSI { 1356}
   (( segid "    " and resid 78   and name HB1 ))
   (  segid "    " and resid 51   and name HE% )
      4.300     2.300     1.700 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.28640E-03 ppm1      1.852 ppm2      7.113 CV     1
 OR { 1356}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 36   and name HE3 ))
 ASSI { 1357}
   (( segid "    " and resid 48   and name HG1 ))
   (( segid "    " and resid 49   and name HN  ))
      4.200     2.200     1.800 peak  1357 spectrum    1 weight  0.10000E+01 volume  0.28640E-03 ppm1      2.214 ppm2      7.986 CV     1
 OR { 1357}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 49   and name HN  ))
 ASSI { 1367}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 3    and name HD2 ))
      4.500     2.600     1.500 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.27874E-03 ppm1      4.403 ppm2      6.988 CV     1
 OR { 1367}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 9   and name HD2 ))
 ASSI { 1372}
   (( segid "    " and resid 85   and name HB  ))
   (  segid "    " and resid 38   and name HD% )
      4.500     2.500     1.500 peak  1372 spectrum    1 weight  0.10000E+01 volume  0.27618E-03 ppm1      2.016 ppm2      7.501 CV     1
 OR { 1372}
   (( segid "    " and resid 16   and name HB  ))
   (( segid "    " and resid 110  and name HD21))
 ASSI { 1374}
   (( segid "    " and resid 85   and name HB  ))
   (( segid "    " and resid 38   and name HZ  ))
      4.700     2.800     1.300 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.27107E-03 ppm1      2.014 ppm2      7.269 CV     1
 OR { 1374}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 25   and name HE21))
 ASSI { 1377}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 107  and name HN  ))
      4.400     2.400     1.600 peak  1377 spectrum    1 weight  0.10000E+01 volume  0.27107E-03 ppm1      0.659 ppm2      9.182 CV     1
 OR { 1377}
   (( segid "    " and resid 87   and name HG  ))
   (( segid "    " and resid 103  and name HN  ))
 ASSI { 1381}
   (( segid "    " and resid 96   and name HD1 ))
   (( segid "    " and resid 95   and name HN  ))
      4.000     2.000     2.000 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.26851E-03 ppm1      3.575 ppm2      7.573 CV     1
 OR { 1381}
   (( segid "    " and resid 92   and name HD1 ))
   (( segid "    " and resid 93   and name HE3 ))
 ASSI { 1411}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HD2 ))
      4.500     2.500     1.500 peak  1411 spectrum    1 weight  0.10000E+01 volume  0.22427E-03 ppm1      3.231 ppm2      6.769 CV     1
 OR { 1411}
   (( segid "    " and resid 46   and name HD1 ))
   (( segid "    " and resid 83   and name HD2 ))
 ASSI { 1431}
   (( segid "    " and resid 74   and name HD2 ))
   (( segid "    " and resid 73   and name HN  ))
      3.900     1.900     1.900 peak  1431 spectrum    1 weight  0.10000E+01 volume  0.21225E-03 ppm1      6.772 ppm2      9.600 CV     1
 OR { 1431}
   (( segid "    " and resid 74   and name HD2 ))
   (( segid "    " and resid 74   and name HN  ))
 ASSI { 1452}
   (( segid "    " and resid 58   and name HB1 ))
   (( segid "    " and resid 58   and name HN  ))
      4.700     2.800     1.300 peak  1452 spectrum    1 weight  0.10000E+01 volume  0.19282E-03 ppm1      2.724 ppm2      8.475 CV     1
 OR { 1452}
   (( segid "    " and resid 110  and name HB1 ))
   (( segid "    " and resid 81   and name HN  ))
 ASSI { 1475}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 83   and name HD2 ))
      5.100     3.200     0.900 peak  1475 spectrum    1 weight  0.10000E+01 volume  0.16980E-03 ppm1      2.001 ppm2      6.752 CV     1
 OR { 1475}
   (( segid "    " and resid 102  and name HB1 ))
   (( segid "    " and resid 36   and name HZ3 ))
 OR { 1475}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 72   and name HD2 ))
 ASSI { 1493}
   (( segid "    " and resid 96   and name HA  ))
   (  segid "    " and resid 34   and name HE% )
      5.000     3.100     1.000 peak  1493 spectrum    1 weight  0.10000E+01 volume  0.15778E-03 ppm1      4.290 ppm2      7.093 CV     1
 OR { 1493}
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 93   and name HD1 ))
 ASSI { 1499}
   (( segid "    " and resid 29   and name HD22))
   (( segid "    " and resid 28   and name HN  ))
      4.700     2.800     1.300 peak  1499 spectrum    1 weight  0.10000E+01 volume  0.15599E-03 ppm1      6.990 ppm2      8.301 CV     1
 OR { 1499}
   (( segid "    " and resid 3    and name HD2 ))
   (( segid "    " and resid 3    and name HE1 ))
 ASSI { 1501}
   (( segid "    " and resid 7    and name HG1 ))
   (( segid "    " and resid 10   and name HN  ))
      4.800     2.900     1.200 peak  1501 spectrum    1 weight  0.10000E+01 volume  0.15599E-03 ppm1      1.478 ppm2      7.239 CV     1
 OR { 1501}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 57   and name HD% )
 ASSI { 1511}
   (( segid "    " and resid 91   and name HD1 ))
   (  segid "    " and resid 34   and name HE% )
      4.700     2.800     1.300 peak  1511 spectrum    1 weight  0.10000E+01 volume  0.14576E-03 ppm1      2.603 ppm2      7.118 CV     1
 OR { 1511}
   (( segid "    " and resid 99  and name HB1 ))
   (  segid "    " and resid 34   and name HE% )
 ASSI { 1544}
   (  segid "    " and resid 53   and name HG1%)
   (( segid "    " and resid 55   and name HD21))
      5.100     3.200     0.900 peak  1544 spectrum    1 weight  0.10000E+01 volume  0.11763E-03 ppm1      1.370 ppm2      7.501 CV     1
 OR { 1544}
   (  segid "    " and resid 80   and name HB% )
   (( segid "    " and resid 110  and name HD21))
 ASSI { 1545}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      4.500     2.600     1.500 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.11584E-03 ppm1      4.379 ppm2      8.942 CV     1
 OR { 1545}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 53   and name HN  ))
 ASSI { 1547}
   (( segid "    " and resid 26   and name HG  ))
   (  segid "    " and resid 73   and name HD% )
      5.200     3.400     0.800 peak  1547 spectrum    1 weight  0.10000E+01 volume  0.11533E-03 ppm1      0.361 ppm2      6.880 CV     1
 OR { 1547}
   (( segid "    " and resid 91   and name HG1 ))
   (( segid "    " and resid 93   and name HN  ))
 ASSI { 1564}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HE1 ))
      5.300     3.600     0.700 peak  1564 spectrum    1 weight  0.10000E+01 volume  0.10408E-03 ppm1      6.772 ppm2      7.953 CV     1
 OR { 1564}
   (( segid "    " and resid 74   and name HD2 ))
   (( segid "    " and resid 74   and name HE1 ))
 ASSI { 1574}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 19   and name HN  ))
      5.100     3.200     0.900 peak  1574 spectrum    1 weight  0.10000E+01 volume  0.98194E-04 ppm1      1.323 ppm2      8.653 CV     1
 OR { 1574}
   (  segid "    " and resid 109  and name HB% )
   (( segid "    " and resid 16   and name HN  ))
 OR { 1574}
   (  segid "    " and resid 84   and name HB% )
   (( segid "    " and resid 106  and name HN  ))
 ASSI { 1587}
   (( segid "    " and resid 110  and name HB2 ))
   (( segid "    " and resid 110  and name HD21))
      5.000     3.200     1.000 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.84900E-04 ppm1      2.622 ppm2      7.517 CV     1
 OR { 1587}
   (( segid "    " and resid 99  and name HB1 ))
   (( segid "    " and resid 100  and name HN  ))
 ASSI { 1594}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 106  and name HD% )
      5.500     3.800     0.500 peak  1594 spectrum    1 weight  0.10000E+01 volume  0.80552E-04 ppm1      4.403 ppm2      6.718 CV     1
 OR { 1594}
   (( segid "    " and resid 89   and name HA  ))
   (  segid "    " and resid 37   and name HE% )
 ASSI { 1616}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 14   and name HB1 ))
      5.600     3.900     0.400 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.62652E-04 ppm1      4.067 ppm2      1.239 CV     1
 OR { 1616}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 108  and name HB2 ))
 OR { 1616}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 14   and name HB2 ))
 ASSI { 1636}
   (  segid "    " and resid 73   and name HD% )
   (( segid "    " and resid 24   and name HN  ))
      5.900     4.400     0.100 peak  1636 spectrum    1 weight  0.10000E+01 volume  0.46286E-04 ppm1      6.882 ppm2      9.057 CV     1
 OR { 1636}
   (  segid "    " and resid 57   and name HE% )
   (( segid "    " and resid 55   and name HN  ))
 ASSI { 1638}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      5.400     3.700     0.600 peak  1638 spectrum    1 weight  0.10000E+01 volume  0.45262E-04 ppm1      5.090 ppm2      8.340 CV     1
 OR { 1638}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI { 1660}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      5.700     4.000     0.300 peak  1660 spectrum    1 weight  0.10000E+01 volume  0.35290E-04 ppm1      4.858 ppm2      9.797 CV     1
 OR { 1660}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
 ASSI { 1663}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB1 ))
      5.800     4.300     0.200 peak  1663 spectrum    1 weight  0.10000E+01 volume  0.33755E-04 ppm1      4.911 ppm2      1.567 CV     1
 OR { 1663}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HG2 ))
 ASSI { 1670}
   (  segid "    " and resid 50   and name HE% )
   (( segid "    " and resid 50   and name HN  ))
      6.000     5.400     0.000 peak  1670 spectrum    1 weight  0.10000E+01 volume  0.30686E-04 ppm1      2.012 ppm2      7.316 CV     1
 OR { 1670}
   (( segid "    " and resid 85   and name HB  ))
   (( segid "    " and resid 38   and name HZ  ))
 ASSI { 1685}
   (  segid "    " and resid 109  and name HB% )
   (( segid "    " and resid 110  and name HD21))
      6.000     6.000     0.000 peak  1685 spectrum    1 weight  0.10000E+01 volume  0.21123E-04 ppm1      1.302 ppm2      7.502 CV     1
 OR { 1685}
   (( segid "    " and resid 108  and name HB2 ))
   (( segid "    " and resid 110  and name HD21))
 ASSI { 1688}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 110  and name HD21))
      6.000     5.700     0.000 peak  1688 spectrum    1 weight  0.10000E+01 volume  0.18489E-04 ppm1      5.073 ppm2      7.508 CV     1
 OR { 1688}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 38   and name HD% )
 ASSI { 1695}
   (  segid "    " and resid 16   and name HG1%)
   (( segid "    " and resid 109  and name HN  ))
      6.000     6.000     0.000 peak  1695 spectrum    1 weight  0.10000E+01 volume  0.14167E-04 ppm1      0.511 ppm2      9.072 CV     1
 OR { 1695}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 24   and name HN  ))
 ASSI { 1709}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 74   and name HN  ))
      6.000     6.000     0.000 peak  1709 spectrum    1 weight  0.10000E+01 volume  0.72113E-05 ppm1      2.156 ppm2      9.598 CV     1
 OR { 1709}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 74   and name HN  ))
 ASSI {    2}
   (( segid "    " and resid 19   and name HA1 ))
   (( segid "    " and resid 2    and name HB1 ))
      2.100     2.100     3.900 peak     2 spectrum    1 weight  0.10000E+01 volume  0.38864E-01 ppm1      4.303 ppm2      3.698 CV     1
 OR {    2}
   (( segid "    " and resid 40   and name HA1 ))
   (( segid "    " and resid 100  and name HB2 ))
 ASSI {    9}
   (  segid "    " and resid 24   and name HG2%)
   (  segid "    " and resid 24   and name HD1%)
      1.900     0.400     0.400 peak     9 spectrum    1 weight  0.10000E+01 volume  0.15655E-01 ppm1      0.133 ppm2      0.587 CV     1
 OR {    9}
   (  segid "    " and resid 24   and name HG2%)
   (  segid "    " and resid 85   and name HG1%)
 ASSI {   36}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 82   and name HG2%)
      2.100     0.600     0.600 peak    36 spectrum    1 weight  0.10000E+01 volume  0.10302E-01 ppm1      4.900 ppm2      0.931 CV     1
 OR {   36}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI {   44}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 65   and name HG  ))
      2.200     0.600     0.600 peak    44 spectrum    1 weight  0.10000E+01 volume  0.92289E-02 ppm1      0.908 ppm2      1.560 CV     1
 OR {   44}
   (  segid "    " and resid 64   and name HD1%)
   (( segid "    " and resid 64   and name HG  ))
 ASSI {  159}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 64   and name HA  ))
      2.900     2.900     3.100 peak   159 spectrum    1 weight  0.10000E+01 volume  0.47404E-02 ppm1      1.926 ppm2      4.305 CV     1
 OR {  159}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 62   and name HA  ))
 ASSI {  511}
   (( segid "    " and resid 26   and name HB2 ))
   (  segid "    " and resid 73   and name HD% )
      3.200     1.300     1.300 peak   511 spectrum    1 weight  0.10000E+01 volume  0.16750E-02 ppm1      0.411 ppm2      6.913 CV     1
 OR {  511}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 36   and name HZ2 ))
 ASSI {  562}
   (( segid "    " and resid 91   and name HG1 ))
   (( segid "    " and resid 90   and name HB1 ))
      6.000     6.000     0.000 peak   562 spectrum    1 weight  0.10000E+01 volume  0.11277E-04 ppm1      0.372 ppm2      1.732 CV     1
 OR {  562}
   (( segid "    " and resid 26   and name HG  ))
   (( segid "    " and resid 7    and name HB2 ))
 ASSI {  706}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 48   and name HB1 ))
      3.500     1.600     1.600 peak   706 spectrum    1 weight  0.10000E+01 volume  0.92074E-03 ppm1      1.252 ppm2      1.942 CV     1
 OR {  706}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 54   and name HB2 ))
 ASSI {  755}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 36   and name HZ2 ))
      3.900     1.900     1.900 peak   755 spectrum    1 weight  0.10000E+01 volume  0.77291E-03 ppm1      3.127 ppm2      6.920 CV     1
 OR {  755}
   (( segid "    " and resid 36   and name HB1 ))
   (  segid "    " and resid 57   and name HE% )
 ASSI {  868}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 93   and name HZ3 ))
      4.300     2.400     1.700 peak   868 spectrum    1 weight  0.10000E+01 volume  0.50798E-03 ppm1      4.323 ppm2      7.153 CV     1
 OR {  868}
   (( segid "    " and resid 91   and name HA  ))
   (  segid "    " and resid 34   and name HE% )
 ASSI {  900}
   (( segid "    " and resid 26   and name HG  ))
   (( segid "    " and resid 36   and name HZ2 ))
      4.100     2.100     1.900 peak   900 spectrum    1 weight  0.10000E+01 volume  0.45105E-03 ppm1      0.382 ppm2      6.913 CV     1
 OR {  900}
   (( segid "    " and resid 26   and name HG  ))
   (  segid "    " and resid 73   and name HD% )
 ASSI {  904}
   (( segid "    " and resid 46   and name HD2 ))
   (  segid "    " and resid 109  and name HB% )
      4.200     2.300     1.800 peak   904 spectrum    1 weight  0.10000E+01 volume  0.44120E-03 ppm1      2.668 ppm2      1.318 CV     1
 OR {  904}
   (( segid "    " and resid 46   and name HD2 ))
   (  segid "    " and resid 53   and name HG1%)
 ASSI {  977}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 87   and name HB2 ))
      5.000     3.100     1.000 peak   977 spectrum    1 weight  0.10000E+01 volume  0.32077E-03 ppm1      3.475 ppm2      1.245 CV     1
 OR {  977}
   (( segid "    " and resid 38   and name HB1 ))
   (  segid "    " and resid 42   and name HG2%)
 ASSI { 1010}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 38   and name HB2 ))
      5.500     3.800     0.500 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.28355E-03 ppm1      1.242 ppm2      3.148 CV     1
 OR { 1010}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 10   and name HB1 ))
 ASSI { 1104}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 60   and name HG1 ))
      5.300     3.500     0.700 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.16750E-03 ppm1      4.122 ppm2      2.016 CV     1
 OR { 1104}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 71   and name HB1 ))
 ASSI { 1128}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 27   and name HG2 ))
      5.400     3.600     0.600 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.13576E-03 ppm1      0.521 ppm2      2.023 CV     1
 OR { 1128}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 71   and name HB1 ))
 ASSI {  130}
   (( segid "    " and resid 36   and name HZ3 ))
   (( segid "    " and resid 102  and name HB1 ))
      3.500     1.600     1.600 peak   130 spectrum    1 weight  0.10000E+01 volume  0.98185E-03 ppm1      6.760 ppm2      1.970 CV     1
 OR {  130}
   (( segid "    " and resid 36   and name HH2 ))
   (( segid "    " and resid 101  and name HB1 ))
 ASSI {  152}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      3.200     1.300     1.300 peak   152 spectrum    1 weight  0.10000E+01 volume  0.30459E-02 ppm1      8.943 ppm2      1.779 CV     1
 OR {  152}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 24   and name HB  ))
 ASSI {  555}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 87   and name HB2 ))
      6.000     5.700     0.000 peak   555 spectrum    1 weight  0.10000E+01 volume  0.29997E-04 ppm1      9.105 ppm2      1.274 CV     1
 OR {  555}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 35   and name HB% )
 ASSI {  560}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 53   and name HG1%)
      6.000     6.000     0.000 peak   560 spectrum    1 weight  0.10000E+01 volume  0.81915E-05 ppm1      9.597 ppm2      1.334 CV     1
 OR {  560}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))

!hbonds restraints
assign (resid 52 and name HN) (resid 76 and name O) 1.8 0.3 0.3
assign (resid 52 and name  N) (resid 76 and name O) 2.8 0.3 0.3
assign (resid 76 and name HN) (resid 52 and name O) 1.8 0.3 0.3
assign (resid 76 and name  N) (resid 52 and name O) 2.8 0.3 0.3
assign (resid 54 and name HN) (resid 74 and name O) 1.8 0.3 0.3
assign (resid 54 and name  N) (resid 74 and name O) 2.8 0.3 0.3
assign (resid 74 and name HN) (resid 54 and name O) 1.8 0.3 0.3
assign (resid 74 and name  N) (resid 54 and name O) 2.8 0.3 0.3
assign (resid 56 and name HN) (resid 72 and name O) 1.8 0.3 0.3
assign (resid 56 and name  N) (resid 72 and name O) 2.8 0.3 0.3
assign (resid 72 and name HN) (resid 56 and name O) 1.8 0.3 0.3
assign (resid 72 and name  N) (resid 56 and name O) 2.8 0.3 0.3
assign (resid 58 and name HN) (resid 70 and name O) 1.8 0.3 0.3
assign (resid 58 and name  N) (resid 70 and name O) 2.8 0.3 0.3
assign (resid 70 and name HN) (resid 58 and name O) 1.8 0.3 0.3
assign (resid 70 and name  N) (resid 58 and name O) 2.8 0.3 0.3
assign (resid 75 and name HN) (resid 22 and name O) 1.8 0.3 0.3
assign (resid 75 and name  N) (resid 22 and name O) 2.8 0.3 0.3
assign (resid 22 and name HN) (resid 75 and name O) 1.8 0.3 0.3
assign (resid 22 and name  N) (resid 75 and name O) 2.8 0.3 0.3
assign (resid 73 and name HN) (resid 24 and name O) 1.8 0.3 0.3
assign (resid 73 and name  N) (resid 24 and name O) 2.8 0.3 0.3
assign (resid 24 and name HN) (resid 73 and name O) 1.8 0.3 0.3
assign (resid 24 and name  N) (resid 73 and name O) 2.8 0.3 0.3
assign (resid 71 and name HN) (resid 26 and name O) 1.8 0.3 0.3
assign (resid 71 and name  N) (resid 26 and name O) 2.8 0.3 0.3
assign (resid 26 and name HN) (resid 71 and name O) 1.8 0.3 0.3
assign (resid 26 and name  N) (resid 71 and name O) 2.8 0.3 0.3
assign (resid 23 and name HN) (resid 3 and name O) 1.8 0.3 0.3
assign (resid 23 and name  N) (resid 3 and name O) 2.8 0.3 0.3
assign (resid 5 and name HN) (resid 23 and name O) 1.8 0.3 0.3
assign (resid 5 and name  N) (resid 23 and name O) 2.8 0.3 0.3
assign (resid 25 and name HN) (resid 5 and name O) 1.8 0.3 0.3
assign (resid 25 and name  N) (resid 5 and name O) 2.8 0.3 0.3
assign (resid 109 and name HN) (resid 81 and name O) 1.8 0.3 0.3
assign (resid 109 and name  N) (resid 81 and name O) 2.8 0.3 0.3
assign (resid 81 and name HN) (resid 109 and name O) 1.8 0.3 0.3
assign (resid 81 and name  N) (resid 109 and name O) 2.8 0.3 0.3
assign (resid 107 and name HN) (resid 83 and name O) 1.8 0.3 0.3
assign (resid 107 and name  N) (resid 83 and name O) 2.8 0.3 0.3
assign (resid 83 and name HN) (resid 107 and name O) 1.8 0.3 0.3
assign (resid 83 and name  N) (resid 107 and name O) 2.8 0.3 0.3
assign (resid 105 and name HN) (resid 85 and name O) 1.8 0.3 0.3
assign (resid 105 and name  N) (resid 85 and name O) 2.8 0.3 0.3
assign (resid 85 and name HN) (resid 105 and name O) 1.8 0.3 0.3
assign (resid 85 and name  N) (resid 105 and name O) 2.8 0.3 0.3
assign (resid 103 and name HN) (resid 87 and name O) 1.8 0.3 0.3
assign (resid 103 and name  N) (resid 87 and name O) 2.8 0.3 0.3
assign (resid 87 and name HN) (resid 103 and name O) 1.8 0.3 0.3
assign (resid 87 and name  N) (resid 103 and name O) 2.8 0.3 0.3
assign (resid 101 and name HN) (resid 89 and name O) 1.8 0.3 0.3
assign (resid 101 and name  N) (resid 89 and name O) 2.8 0.3 0.3
assign (resid 89 and name HN) (resid 101 and name O) 1.8 0.3 0.3
assign (resid 89 and name  N) (resid 101 and name O) 2.8 0.3 0.3
assign (resid 88 and name HN) (resid 37 and name O) 1.8 0.3 0.3
assign (resid 88 and name  N) (resid 37 and name O) 2.8 0.3 0.3
assign (resid 37 and name HN) (resid 88 and name O) 1.8 0.3 0.3
assign (resid 37 and name  N) (resid 88 and name O) 2.8 0.3 0.3
assign (resid 90 and name HN) (resid 35 and name O) 1.8 0.3 0.3
assign (resid 90 and name  N) (resid 35 and name O) 2.8 0.3 0.3
assign (resid 35 and name HN) (resid 90 and name O) 1.8 0.3 0.3
assign (resid 35 and name  N) (resid 90 and name O) 2.8 0.3 0.3
assign (resid 16 and name HN) (resid 108 and name O) 1.8 0.3 0.3
assign (resid 16 and name  N) (resid 108 and name O) 2.8 0.3 0.3
assign (resid 108 and name HN) (resid 14 and name O) 1.8 0.3 2.3
assign (resid 108 and name  N) (resid 14 and name O) 2.8 0.3 2.3
assign (resid 14 and name HN) (resid 106 and name O) 1.8 0.3 0.3
assign (resid 14 and name  N) (resid 106 and name O) 2.8 0.3 0.3
assign (resid 106 and name HN) (resid 12 and name O) 1.8 0.3 0.3
assign (resid 106 and name  N) (resid 12 and name O) 2.8 0.3 0.3
assign (resid 11 and name HN) (resid 8 and name O) 1.8 0.3 0.3
assign (resid 11 and name  N) (resid 8 and name O) 2.8 0.3 0.3
assign (resid 10 and name HN) (resid 7 and name O) 1.8 0.3 0.3
assign (resid 10 and name  N) (resid 7 and name O) 2.8 0.3 0.3
assign (resid 12 and name HN) (resid 9 and name O) 1.8 0.3 0.3
assign (resid 12 and name  N) (resid 9 and name O) 2.8 0.3 0.3
assign (resid 9 and name HN) (resid 6 and name O) 1.8 0.3 0.3
assign (resid 9 and name  N) (resid 6 and name O) 2.8 0.3 0.3

! dihedral restraints
! CSI restraints, converted by ARIA
! Phi:

! dihedral angle file generated by Csi2Aria.py

! CSI derived phi restraint:
assign (resid   3 and name C)
       (resid   4 and name N)
       (resid   4 and name CA)
       (resid   4 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid   4 and name C)
       (resid   5 and name N)
       (resid   5 and name CA)
       (resid   5 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid   5 and name C)
       (resid   6 and name N)
       (resid   6 and name CA)
       (resid   6 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid   6 and name C)
       (resid   7 and name N)
       (resid   7 and name CA)
       (resid   7 and name C)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid   7 and name C)
       (resid   8 and name N)
       (resid   8 and name CA)
       (resid   8 and name C)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid   8 and name C)
       (resid   9 and name N)
       (resid   9 and name CA)
       (resid   9 and name C)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid   9 and name C)
       (resid  10 and name N)
       (resid  10 and name CA)
       (resid  10 and name C)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  12 and name C)
       (resid  13 and name N)
       (resid  13 and name CA)
       (resid  13 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid  13 and name C)
       (resid  14 and name N)
       (resid  14 and name CA)
       (resid  14 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid  14 and name C)
       (resid  15 and name N)
       (resid  15 and name CA)
       (resid  15 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid  15 and name C)
       (resid  16 and name N)
       (resid  16 and name CA)
       (resid  16 and name C)
       1.0 -135  30 2

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

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

! CSI derived phi restraint:
assign (resid  21 and name C)
       (resid  22 and name N)
       (resid  22 and name CA)
       (resid  22 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid  22 and name C)
       (resid  23 and name N)
       (resid  23 and name CA)
       (resid  23 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid  23 and name C)
       (resid  24 and name N)
       (resid  24 and name CA)
       (resid  24 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid  24 and name C)
       (resid  25 and name N)
       (resid  25 and name CA)
       (resid  25 and name C)
       1.0 -135  30 2

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

! CSI derived phi restraint:
assign (resid  42 and name C)
       (resid  43 and name N)
       (resid  43 and name CA)
       (resid  43 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid  43 and name C)
       (resid  43 and name N)
       (resid  43 and name CA)
       (resid  43 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid  43 and name C)
       (resid  44 and name N)
       (resid  44 and name CA)
       (resid  44 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid  44 and name C)
       (resid  45 and name N)
       (resid  45 and name CA)
       (resid  45 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid  51 and name C)
       (resid  51 and name N)
       (resid  51 and name CA)
       (resid  51 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid  51 and name C)
       (resid  52 and name N)
       (resid  52 and name CA)
       (resid  52 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid  52 and name C)
       (resid  53 and name N)
       (resid  53 and name CA)
       (resid  53 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid  53 and name C)
       (resid  54 and name N)
       (resid  54 and name CA)
       (resid  54 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid  54 and name C)
       (resid  55 and name N)
       (resid  55 and name CA)
       (resid  55 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid  55 and name C)
       (resid  56 and name N)
       (resid  56 and name CA)
       (resid  56 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid  56 and name C)
       (resid  57 and name N)
       (resid  57 and name CA)
       (resid  57 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid  57 and name C)
       (resid  58 and name N)
       (resid  58 and name CA)
       (resid  58 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid  70 and name C)
       (resid  71 and name N)
       (resid  71 and name CA)
       (resid  71 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid  71 and name C)
       (resid  72 and name N)
       (resid  72 and name CA)
       (resid  72 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid  72 and name C)
       (resid  73 and name N)
       (resid  73 and name CA)
       (resid  73 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid  73 and name C)
       (resid  74 and name N)
       (resid  74 and name CA)
       (resid  74 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid  74 and name C)
       (resid  75 and name N)
       (resid  75 and name CA)
       (resid  75 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid  75 and name C)
       (resid  76 and name N)
       (resid  76 and name CA)
       (resid  76 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid  77 and name C)
       (resid  78 and name N)
       (resid  78 and name CA)
       (resid  78 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid  78 and name C)
       (resid  79 and name N)
       (resid  79 and name CA)
       (resid  79 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid  80 and name C)
       (resid  81 and name N)
       (resid  81 and name CA)
       (resid  81 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid  81 and name C)
       (resid  82 and name N)
       (resid  82 and name CA)
       (resid  82 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid  82 and name C)
       (resid  83 and name N)
       (resid  83 and name CA)
       (resid  83 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid  83 and name C)
       (resid  84 and name N)
       (resid  84 and name CA)
       (resid  84 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid  84 and name C)
       (resid  85 and name N)
       (resid  85 and name CA)
       (resid  85 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid  85 and name C)
       (resid  86 and name N)
       (resid  86 and name CA)
       (resid  86 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid  86 and name C)
       (resid  87 and name N)
       (resid  87 and name CA)
       (resid  87 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid  87 and name C)
       (resid  88 and name N)
       (resid  88 and name CA)
       (resid  88 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid 102 and name C)
       (resid 103 and name N)
       (resid 103 and name CA)
       (resid 103 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid 103 and name C)
       (resid 104 and name N)
       (resid 104 and name CA)
       (resid 104 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid 104 and name C)
       (resid 105 and name N)
       (resid 105 and name CA)
       (resid 105 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid 105 and name C)
       (resid 106 and name N)
       (resid 106 and name CA)
       (resid 106 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid 106 and name C)
       (resid 107 and name N)
       (resid 107 and name CA)
       (resid 107 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid 107 and name C)
       (resid 108 and name N)
       (resid 108 and name CA)
       (resid 108 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid 108 and name C)
       (resid 109 and name N)
       (resid 109 and name CA)
       (resid 109 and name C)
       1.0 -135  30 2



! Psi:

! dihedral angle file generated by Csi2Aria.py

! CSI derived psi restraint:
assign (resid   4 and name N)
       (resid   4 and name CA)
       (resid   4 and name C)
       (resid   5 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid   5 and name N)
       (resid   5 and name CA)
       (resid   5 and name C)
       (resid   6 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid   6 and name N)
       (resid   6 and name CA)
       (resid   6 and name C)
       (resid   7 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid   7 and name N)
       (resid   7 and name CA)
       (resid   7 and name C)
       (resid   8 and name N)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid   8 and name N)
       (resid   8 and name CA)
       (resid   8 and name C)
       (resid   9 and name N)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid   9 and name N)
       (resid   9 and name CA)
       (resid   9 and name C)
       (resid  10 and name N)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  10 and name N)
       (resid  10 and name CA)
       (resid  10 and name C)
       (resid  11 and name N)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  13 and name N)
       (resid  13 and name CA)
       (resid  13 and name C)
       (resid  14 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid  14 and name N)
       (resid  14 and name CA)
       (resid  14 and name C)
       (resid  15 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid  15 and name N)
       (resid  15 and name CA)
       (resid  15 and name C)
       (resid  16 and name N)
       1.0 135  30 2

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

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

! CSI derived psi restraint:
assign (resid  21 and name N)
       (resid  21 and name CA)
       (resid  21 and name C)
       (resid  22 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid  22 and name N)
       (resid  22 and name CA)
       (resid  22 and name C)
       (resid  23 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid  23 and name N)
       (resid  23 and name CA)
       (resid  23 and name C)
       (resid  24 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid  24 and name N)
       (resid  24 and name CA)
       (resid  24 and name C)
       (resid  25 and name N)
       1.0 135  30 2

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

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

! CSI derived psi restraint:
assign (resid  43 and name N)
       (resid  43 and name CA)
       (resid  43 and name C)
       (resid  43 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid  43 and name N)
       (resid  43 and name CA)
       (resid  43 and name C)
       (resid  44 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid  44 and name N)
       (resid  44 and name CA)
       (resid  44 and name C)
       (resid  45 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid  45 and name N)
       (resid  45 and name CA)
       (resid  45 and name C)
       (resid  46 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid  51 and name N)
       (resid  51 and name CA)
       (resid  51 and name C)
       (resid  52 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid  52 and name N)
       (resid  52 and name CA)
       (resid  52 and name C)
       (resid  53 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid  53 and name N)
       (resid  53 and name CA)
       (resid  53 and name C)
       (resid  54 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid  54 and name N)
       (resid  54 and name CA)
       (resid  54 and name C)
       (resid  55 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid  55 and name N)
       (resid  55 and name CA)
       (resid  55 and name C)
       (resid  56 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid  56 and name N)
       (resid  56 and name CA)
       (resid  56 and name C)
       (resid  57 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid  57 and name N)
       (resid  57 and name CA)
       (resid  57 and name C)
       (resid  58 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid  58 and name N)
       (resid  58 and name CA)
       (resid  58 and name C)
       (resid  59 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid  71 and name N)
       (resid  71 and name CA)
       (resid  71 and name C)
       (resid  72 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid  72 and name N)
       (resid  72 and name CA)
       (resid  72 and name C)
       (resid  73 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid  73 and name N)
       (resid  73 and name CA)
       (resid  73 and name C)
       (resid  74 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid  74 and name N)
       (resid  74 and name CA)
       (resid  74 and name C)
       (resid  75 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid  75 and name N)
       (resid  75 and name CA)
       (resid  75 and name C)
       (resid  76 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid  76 and name N)
       (resid  76 and name CA)
       (resid  76 and name C)
       (resid  77 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid  78 and name N)
       (resid  78 and name CA)
       (resid  78 and name C)
       (resid  79 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid  79 and name N)
       (resid  79 and name CA)
       (resid  79 and name C)
       (resid  80 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid  81 and name N)
       (resid  81 and name CA)
       (resid  81 and name C)
       (resid  82 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid  82 and name N)
       (resid  82 and name CA)
       (resid  82 and name C)
       (resid  83 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid  83 and name N)
       (resid  83 and name CA)
       (resid  83 and name C)
       (resid  84 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid  84 and name N)
       (resid  84 and name CA)
       (resid  84 and name C)
       (resid  85 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid  85 and name N)
       (resid  85 and name CA)
       (resid  85 and name C)
       (resid  86 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid  86 and name N)
       (resid  86 and name CA)
       (resid  86 and name C)
       (resid  87 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid  87 and name N)
       (resid  87 and name CA)
       (resid  87 and name C)
       (resid  88 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid  88 and name N)
       (resid  88 and name CA)
       (resid  88 and name C)
       (resid  89 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid 103 and name N)
       (resid 103 and name CA)
       (resid 103 and name C)
       (resid 104 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid 104 and name N)
       (resid 104 and name CA)
       (resid 104 and name C)
       (resid 105 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid 105 and name N)
       (resid 105 and name CA)
       (resid 105 and name C)
       (resid 106 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid 106 and name N)
       (resid 106 and name CA)
       (resid 106 and name C)
       (resid 107 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid 107 and name N)
       (resid 107 and name CA)
       (resid 107 and name C)
       (resid 108 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid 108 and name N)
       (resid 108 and name CA)
       (resid 108 and name C)
       (resid 109 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid 109 and name N)
       (resid 109 and name CA)
       (resid 109 and name C)
       (resid 110 and name N)
       1.0 135  30 2
       

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    HIS   3           H        HIS   3  -5.960 -10.164   4.296
    2    HA   HIS   3           HA       HIS   3  -5.188  -9.191   6.957
    3   1HB   HIS   3          2HB       HIS   3  -3.337 -10.590   6.427
    4   2HB   HIS   3          1HB       HIS   3  -3.422 -10.140   4.721
    5    HD1  HIS   3           1HD      HIS   3  -2.880  -8.156   7.936
    6    HD2  HIS   3           2HD      HIS   3  -1.281  -8.635   4.120
    7    HE1  HIS   3           1HE      HIS   3  -1.015  -6.484   7.769
    8    HE2  HIS   3           2HE      HIS   3  -0.208  -6.645   5.389
    9    H    LYS   4           H        LYS   4  -4.734  -6.998   7.050
   10    HA   LYS   4           HA       LYS   4  -4.980  -5.491   4.551
   11   1HB   LYS   4          2HB       LYS   4  -6.562  -3.938   5.655
   12   2HB   LYS   4          1HB       LYS   4  -7.194  -5.577   5.495
   13   1HG   LYS   4          2HG       LYS   4  -6.678  -6.021   7.837
   14   2HG   LYS   4          1HG       LYS   4  -6.016  -4.396   8.008
   15   1HD   LYS   4          2HD       LYS   4  -8.837  -4.806   7.080
   16   2HD   LYS   4          1HD       LYS   4  -8.440  -4.872   8.796
   17   1HE   LYS   4          2HE       LYS   4  -9.159  -2.648   8.275
   18   2HE   LYS   4          1HE       LYS   4  -7.427  -2.611   8.586
   19   1HZ   LYS   4          1HZ       LYS   4  -8.626  -2.714   5.873
   20   2HZ   LYS   4          2HZ       LYS   4  -6.997  -2.466   6.262
   21   3HZ   LYS   4          3HZ       LYS   4  -8.144  -1.281   6.643
   22    H    VAL   5           H        VAL   5  -3.608  -3.776   4.413
   23    HA   VAL   5           HA       VAL   5  -2.328  -2.944   6.927
   24    HB   VAL   5           HB       VAL   5  -1.158  -3.302   4.214
   25   1HG1  VAL   5          1HG1      VAL   5  -0.851  -0.931   4.394
   26   2HG1  VAL   5          2HG1      VAL   5   0.682  -1.745   4.721
   27   3HG1  VAL   5          3HG1      VAL   5  -0.276  -1.097   6.052
   28   1HG2  VAL   5          1HG2      VAL   5  -0.007  -3.425   6.992
   29   2HG2  VAL   5          2HG2      VAL   5   0.726  -4.037   5.508
   30   3HG2  VAL   5          3HG2      VAL   5  -0.739  -4.789   6.140
   31    H    THR   6           H        THR   6  -1.668  -0.683   7.040
   32    HA   THR   6           HA       THR   6  -3.355   1.264   5.764
   33    HB   THR   6           HB       THR   6  -4.046   1.960   8.238
   34    HG1  THR   6           1HG      THR   6  -4.461   0.035   9.468
   35   1HG2  THR   6          1HG2      THR   6  -6.187   0.824   7.933
   36   2HG2  THR   6          2HG2      THR   6  -5.463  -0.249   6.736
   37   3HG2  THR   6          3HG2      THR   6  -5.619   1.473   6.391
   38    H    LYS   7           H        LYS   7  -2.860   3.491   7.009
   39    HA   LYS   7           HA       LYS   7  -0.236   4.044   6.406
   40   1HB   LYS   7          2HB       LYS   7  -2.029   5.720   6.669
   41   2HB   LYS   7          1HB       LYS   7  -1.900   5.553   8.413
   42   1HG   LYS   7          2HG       LYS   7  -0.727   7.534   7.489
   43   2HG   LYS   7          1HG       LYS   7   0.315   6.447   8.407
   44   1HD   LYS   7          2HD       LYS   7   1.315   5.587   6.447
   45   2HD   LYS   7          1HD       LYS   7   0.071   6.286   5.406
   46   1HE   LYS   7          2HE       LYS   7   2.147   7.558   5.247
   47   2HE   LYS   7          1HE       LYS   7   0.879   8.538   5.978
   48   1HZ   LYS   7          1HZ       LYS   7   2.899   8.862   7.180
   49   2HZ   LYS   7          2HZ       LYS   7   3.127   7.196   7.380
   50   3HZ   LYS   7          3HZ       LYS   7   1.847   7.971   8.169
   51    H    ALA   8           H        ALA   8  -1.449   3.095   9.639
   52    HA   ALA   8           HA       ALA   8   0.896   3.689  11.079
   53   1HB   ALA   8          1HB       ALA   8   0.108   2.086  12.733
   54   2HB   ALA   8          2HB       ALA   8  -1.044   1.437  11.567
   55   3HB   ALA   8          3HB       ALA   8  -1.222   3.090  12.152
   56    H    HIS   9           H        HIS   9  -0.009   0.943   9.133
   57    HA   HIS   9           HA       HIS   9   2.089  -0.795   9.879
   58   1HB   HIS   9          2HB       HIS   9   0.298  -0.669   7.471
   59   2HB   HIS   9          1HB       HIS   9   1.555  -1.886   7.630
   60    HD1  HIS   9           1HD      HIS   9  -1.918  -1.255   8.442
   61    HD2  HIS   9           2HD      HIS   9   1.153  -3.552  10.034
   62    HE1  HIS   9           1HE      HIS   9  -3.038  -3.140   9.629
   63    HE2  HIS   9           2HE      HIS   9  -1.171  -4.256  10.920
   64    H    ASN  10           H        ASN  10   2.217   2.102   8.269
   65    HA   ASN  10           HA       ASN  10   4.142   1.901   6.301
   66   1HB   ASN  10          2HB       ASN  10   3.043   4.027   6.961
   67   2HB   ASN  10          1HB       ASN  10   3.947   4.015   8.472
   68   1HD2  ASN  10          1HD2      ASN  10   4.009   4.726   5.120
   69   2HD2  ASN  10          2HD2      ASN  10   5.592   5.421   5.071
   70    H    GLY  11           H        GLY  11   4.368   1.173   9.624
   71   1HA   GLY  11          2HA       GLY  11   7.195   0.461   9.254
   72   2HA   GLY  11          1HA       GLY  11   6.759   1.432  10.657
   73    H    ALA  12           H        ALA  12   5.407  -1.438   9.019
   74    HA   ALA  12           HA       ALA  12   5.062  -2.638  11.698
   75   1HB   ALA  12          1HB       ALA  12   2.940  -2.299  10.800
   76   2HB   ALA  12          2HB       ALA  12   3.275  -4.007  10.489
   77   3HB   ALA  12          3HB       ALA  12   3.442  -2.820   9.192
   78    H    THR  13           H        THR  13   5.339  -4.851  11.989
   79    HA   THR  13           HA       THR  13   6.434  -6.460   9.790
   80    HB   THR  13           HB       THR  13   7.584  -6.543  12.596
   81    HG1  THR  13           1HG      THR  13   8.121  -4.842  10.544
   82   1HG2  THR  13          1HG2      THR  13   7.733  -8.639  11.335
   83   2HG2  THR  13          2HG2      THR  13   9.327  -7.915  11.551
   84   3HG2  THR  13          3HG2      THR  13   8.500  -7.782   9.998
   85    H    LEU  14           H        LEU  14   5.038  -8.159   9.599
   86    HA   LEU  14           HA       LEU  14   3.737  -9.273  11.947
   87   1HB   LEU  14          2HB       LEU  14   2.510  -7.187  11.252
   88   2HB   LEU  14          1HB       LEU  14   2.141  -7.983   9.737
   89    HG   LEU  14           HG       LEU  14   0.868  -9.693  10.929
   90   1HD1  LEU  14          1HD1      LEU  14   2.190  -9.637  13.000
   91   2HD1  LEU  14          2HD1      LEU  14   0.458  -9.493  13.310
   92   3HD1  LEU  14          3HD1      LEU  14   1.492  -8.066  13.388
   93   1HD2  LEU  14          1HD2      LEU  14   0.091  -6.875  11.683
   94   2HD2  LEU  14          2HD2      LEU  14  -0.989  -8.269  11.624
   95   3HD2  LEU  14          3HD2      LEU  14  -0.251  -7.661  10.140
   96    H    THR  15           H        THR  15   2.386 -11.139  11.422
   97    HA   THR  15           HA       THR  15   3.092 -12.436   8.878
   98    HB   THR  15           HB       THR  15   1.920 -13.623  11.408
   99    HG1  THR  15           1HG      THR  15   4.459 -13.075  10.714
  100   1HG2  THR  15          1HG2      THR  15   1.178 -14.742   9.323
  101   2HG2  THR  15          2HG2      THR  15   2.176 -15.780  10.351
  102   3HG2  THR  15          3HG2      THR  15   2.870 -15.031   8.912
  103    H    VAL  16           H        VAL  16   1.387 -13.321   7.555
  104    HA   VAL  16           HA       VAL  16  -1.282 -12.295   8.286
  105    HB   VAL  16           HB       VAL  16  -1.708 -11.496   6.130
  106   1HG1  VAL  16          1HG1      VAL  16  -0.273 -10.038   7.424
  107   2HG1  VAL  16          2HG1      VAL  16   0.124  -9.919   5.711
  108   3HG1  VAL  16          3HG1      VAL  16   1.158 -10.853   6.792
  109   1HG2  VAL  16          1HG2      VAL  16  -0.282 -11.815   4.204
  110   2HG2  VAL  16          2HG2      VAL  16  -0.820 -13.365   4.852
  111   3HG2  VAL  16          3HG2      VAL  16   0.820 -12.796   5.169
  112    H    ALA  17           H        ALA  17  -3.066 -13.387   7.489
  113    HA   ALA  17           HA       ALA  17  -2.585 -16.047   6.338
  114   1HB   ALA  17          1HB       ALA  17  -4.987 -14.815   7.682
  115   2HB   ALA  17          2HB       ALA  17  -3.991 -16.139   8.281
  116   3HB   ALA  17          3HB       ALA  17  -5.023 -16.380   6.871
  117    H    VAL  18           H        VAL  18  -3.480 -16.524   4.319
  118    HA   VAL  18           HA       VAL  18  -4.582 -14.193   2.886
  119    HB   VAL  18           HB       VAL  18  -3.486 -14.877   0.874
  120   1HG1  VAL  18          1HG1      VAL  18  -1.099 -14.734   1.506
  121   2HG1  VAL  18          2HG1      VAL  18  -1.561 -14.967   3.197
  122   3HG1  VAL  18          3HG1      VAL  18  -2.106 -13.532   2.325
  123   1HG2  VAL  18          1HG2      VAL  18  -2.053 -16.849   0.737
  124   2HG2  VAL  18          2HG2      VAL  18  -3.712 -17.290   1.141
  125   3HG2  VAL  18          3HG2      VAL  18  -2.472 -17.274   2.395
  126    H    GLY  19           H        GLY  19  -5.469 -15.192   0.632
  127   1HA   GLY  19          2HA       GLY  19  -6.620 -17.315  -0.115
  128   2HA   GLY  19          1HA       GLY  19  -7.425 -17.252   1.449
  129    H    GLU  20           H        GLU  20  -8.398 -14.947   1.860
  130    HA   GLU  20           HA       GLU  20 -10.215 -14.325  -0.258
  131   1HB   GLU  20          2HB       GLU  20  -9.546 -12.665   2.180
  132   2HB   GLU  20          1HB       GLU  20 -10.962 -12.493   1.155
  133   1HG   GLU  20          2HG       GLU  20 -11.697 -14.746   1.866
  134   2HG   GLU  20          1HG       GLU  20 -10.328 -14.800   2.980
  135    H    LEU  21           H        LEU  21  -7.847 -12.315   1.419
  136    HA   LEU  21           HA       LEU  21  -6.623 -11.314  -0.939
  137   1HB   LEU  21          2HB       LEU  21  -8.660 -10.104  -1.238
  138   2HB   LEU  21          1HB       LEU  21  -8.712  -9.649   0.452
  139    HG   LEU  21           HG       LEU  21  -6.690  -8.240   0.080
  140   1HD1  LEU  21          1HD1      LEU  21  -7.205  -8.763  -2.839
  141   2HD1  LEU  21          2HD1      LEU  21  -5.898  -9.502  -1.916
  142   3HD1  LEU  21          3HD1      LEU  21  -5.944  -7.751  -2.135
  143   1HD2  LEU  21          1HD2      LEU  21  -7.881  -6.467  -1.121
  144   2HD2  LEU  21          2HD2      LEU  21  -8.911  -7.262   0.070
  145   3HD2  LEU  21          3HD2      LEU  21  -9.088  -7.642  -1.644
  146    H    VAL  22           H        VAL  22  -4.681 -10.370  -0.412
  147    HA   VAL  22           HA       VAL  22  -4.382  -9.509   2.378
  148    HB   VAL  22           HB       VAL  22  -2.555 -11.047   0.631
  149   1HG1  VAL  22          1HG1      VAL  22  -1.506  -8.756   2.294
  150   2HG1  VAL  22          2HG1      VAL  22  -1.235  -9.044   0.578
  151   3HG1  VAL  22          3HG1      VAL  22  -0.522 -10.123   1.778
  152   1HG2  VAL  22          1HG2      VAL  22  -2.841 -10.650   3.597
  153   2HG2  VAL  22          2HG2      VAL  22  -1.761 -11.815   2.825
  154   3HG2  VAL  22          3HG2      VAL  22  -3.507 -11.966   2.630
  155    H    GLU  23           H        GLU  23  -4.688  -7.384   2.466
  156    HA   GLU  23           HA       GLU  23  -3.971  -5.872   0.056
  157   1HB   GLU  23          2HB       GLU  23  -5.756  -4.411   0.397
  158   2HB   GLU  23          1HB       GLU  23  -6.408  -6.010   0.708
  159   1HG   GLU  23          2HG       GLU  23  -6.453  -5.643   3.040
  160   2HG   GLU  23          1HG       GLU  23  -5.476  -4.181   2.896
  161    H    ILE  24           H        ILE  24  -3.361  -3.747   0.227
  162    HA   ILE  24           HA       ILE  24  -2.093  -2.893   2.740
  163    HB   ILE  24           HB       ILE  24  -0.897  -2.656  -0.027
  164   1HG1  ILE  24          2HG1      ILE  24  -0.884  -5.002   0.807
  165   2HG1  ILE  24          1HG1      ILE  24   0.737  -4.338   0.605
  166   1HG2  ILE  24          1HG2      ILE  24   1.099  -1.868   1.148
  167   2HG2  ILE  24          2HG2      ILE  24   0.230  -1.980   2.679
  168   3HG2  ILE  24          3HG2      ILE  24  -0.300  -0.835   1.447
  169   1HD1  ILE  24          1HD1      ILE  24   0.836  -3.925   3.022
  170   2HD1  ILE  24          2HD1      ILE  24   0.569  -5.625   2.645
  171   3HD1  ILE  24          3HD1      ILE  24  -0.774  -4.625   3.200
  172    H    GLN  25           H        GLN  25  -3.430  -1.117   3.175
  173    HA   GLN  25           HA       GLN  25  -4.065   0.578   0.860
  174   1HB   GLN  25          2HB       GLN  25  -6.100  -0.245   1.595
  175   2HB   GLN  25          1HB       GLN  25  -5.668  -0.099   3.300
  176   1HG   GLN  25          2HG       GLN  25  -5.639   2.442   1.919
  177   2HG   GLN  25          1HG       GLN  25  -7.202   1.643   1.797
  178   1HE2  GLN  25          1HE2      GLN  25  -4.886   3.095   3.962
  179   2HE2  GLN  25          2HE2      GLN  25  -5.960   3.225   5.315
  180    H    LEU  26           H        LEU  26  -3.651   2.683   0.871
  181    HA   LEU  26           HA       LEU  26  -2.578   3.794   3.336
  182   1HB   LEU  26          2HB       LEU  26  -1.996   4.448   0.474
  183   2HB   LEU  26          1HB       LEU  26  -1.711   5.634   1.725
  184    HG   LEU  26           HG       LEU  26   0.347   4.546   1.196
  185   1HD1  LEU  26          1HD1      LEU  26   0.133   5.141   3.493
  186   2HD1  LEU  26          2HD1      LEU  26   0.959   3.582   3.394
  187   3HD1  LEU  26          3HD1      LEU  26  -0.745   3.651   3.847
  188   1HD2  LEU  26          1HD2      LEU  26  -1.029   1.949   1.847
  189   2HD2  LEU  26          2HD2      LEU  26   0.678   2.148   1.453
  190   3HD2  LEU  26          3HD2      LEU  26  -0.556   2.498   0.238
  191    HA   PRO  27           HA       PRO  27  -6.005   6.656   3.216
  192   1HB   PRO  27          2HB       PRO  27  -5.277   8.310   5.133
  193   2HB   PRO  27          1HB       PRO  27  -5.561   6.605   5.522
  194   1HG   PRO  27          2HG       PRO  27  -2.945   7.997   4.979
  195   2HG   PRO  27          1HG       PRO  27  -3.382   6.924   6.326
  196   1HD   PRO  27          2HD       PRO  27  -2.056   6.076   4.102
  197   2HD   PRO  27          1HD       PRO  27  -3.116   5.027   5.065
  198    H    SER  28           H        SER  28  -3.218   7.117   1.753
  199    HA   SER  28           HA       SER  28  -2.343   8.642   0.352
  200   1HB   SER  28          2HB       SER  28  -4.717   9.036  -0.338
  201   2HB   SER  28          1HB       SER  28  -4.803  10.314   0.876
  202    HG   SER  28           HG       SER  28  -2.967  10.224  -1.301
  203    H    ASN  29           H        ASN  29  -3.975  10.540   2.835
  204    HA   ASN  29           HA       ASN  29  -3.321  12.358   4.063
  205   1HB   ASN  29          2HB       ASN  29  -0.449  11.555   3.805
  206   2HB   ASN  29          1HB       ASN  29  -1.250  12.317   5.166
  207   1HD2  ASN  29          1HD2      ASN  29  -0.283   9.411   3.698
  208   2HD2  ASN  29          2HD2      ASN  29  -0.839   8.330   4.928
  209    HA   PRO  30           HA       PRO  30  -2.296  13.762  -0.323
  210   1HB   PRO  30          2HB       PRO  30  -4.121  15.912   0.713
  211   2HB   PRO  30          1HB       PRO  30  -4.038  15.193  -0.905
  212   1HG   PRO  30          2HG       PRO  30  -5.937  14.355   0.685
  213   2HG   PRO  30          1HG       PRO  30  -4.941  13.142  -0.156
  214   1HD   PRO  30          2HD       PRO  30  -4.740  14.083   2.684
  215   2HD   PRO  30          1HD       PRO  30  -4.706  12.425   2.042
  216    H    THR  31           H        THR  31  -0.416  14.655  -0.638
  217    HA   THR  31           HA       THR  31   0.706  16.373   1.415
  218    HB   THR  31           HB       THR  31   2.845  15.975   0.104
  219    HG1  THR  31           1HG      THR  31   1.592  13.781  -1.109
  220   1HG2  THR  31          1HG2      THR  31   2.209  14.674   2.125
  221   2HG2  THR  31          2HG2      THR  31   3.144  13.730   0.964
  222   3HG2  THR  31          3HG2      THR  31   1.396  13.504   1.077
  223    H    THR  32           H        THR  32   1.684  16.459  -1.945
  224    HA   THR  32           HA       THR  32   0.653  19.088  -2.472
  225    HB   THR  32           HB       THR  32   2.528  19.545  -0.865
  226    HG1  THR  32           1HG      THR  32   2.315  21.310  -2.043
  227   1HG2  THR  32          1HG2      THR  32   4.026  17.734  -1.508
  228   2HG2  THR  32          2HG2      THR  32   4.837  19.293  -1.653
  229   3HG2  THR  32          3HG2      THR  32   4.252  18.468  -3.096
  230    H    GLY  33           H        GLY  33   0.970  16.331  -3.598
  231   1HA   GLY  33          2HA       GLY  33   0.881  16.482  -6.193
  232   2HA   GLY  33          1HA       GLY  33   2.585  16.823  -5.975
  233    H    PHE  34           H        PHE  34   3.017  15.127  -3.799
  234    HA   PHE  34           HA       PHE  34   3.568  12.686  -5.010
  235   1HB   PHE  34          2HB       PHE  34   3.233  12.961  -2.035
  236   2HB   PHE  34          1HB       PHE  34   4.424  12.023  -2.933
  237    HD1  PHE  34           1HD      PHE  34   4.366  14.495  -0.735
  238    HD2  PHE  34           2HD      PHE  34   5.566  13.910  -4.768
  239    HE1  PHE  34           1HE      PHE  34   5.949  16.361  -0.533
  240    HE2  PHE  34           2HE      PHE  34   7.143  15.776  -4.577
  241    HZ   PHE  34           HZ       PHE  34   7.346  17.002  -2.451
  242    H    ALA  35           H        ALA  35   2.601  10.735  -4.991
  243    HA   ALA  35           HA       ALA  35   0.143  10.324  -3.449
  244   1HB   ALA  35          1HB       ALA  35   0.471   9.645  -6.385
  245   2HB   ALA  35          2HB       ALA  35  -0.561  10.920  -5.736
  246   3HB   ALA  35          3HB       ALA  35  -0.921   9.229  -5.384
  247    H    TRP  36           H        TRP  36  -0.265   7.974  -3.111
  248    HA   TRP  36           HA       TRP  36   2.275   6.642  -2.742
  249   1HB   TRP  36          2HB       TRP  36  -0.505   5.661  -2.047
  250   2HB   TRP  36          1HB       TRP  36   1.005   4.839  -1.660
  251    HD1  TRP  36           HD       TRP  36  -1.239   7.673  -0.436
  252    HE1  TRP  36           1HE      TRP  36  -0.364   8.423   1.851
  253    HE3  TRP  36           3HE      TRP  36   3.188   5.112  -0.376
  254    HZ2  TRP  36           2HZ      TRP  36   1.880   7.955   3.498
  255    HZ3  TRP  36           3HZ      TRP  36   4.653   5.318   1.588
  256    HH2  TRP  36           HH       TRP  36   4.012   6.725   3.487
  257    H    TYR  37           H        TYR  37   3.186   5.547  -4.282
  258    HA   TYR  37           HA       TYR  37   1.564   3.536  -5.694
  259   1HB   TYR  37          2HB       TYR  37   3.818   5.236  -6.751
  260   2HB   TYR  37          1HB       TYR  37   3.415   3.691  -7.488
  261    HD1  TYR  37           1HD      TYR  37   2.461   7.184  -7.125
  262    HD2  TYR  37           2HD      TYR  37   1.242   3.372  -8.573
  263    HE1  TYR  37           1HE      TYR  37   0.732   8.266  -8.506
  264    HE2  TYR  37           2HE      TYR  37  -0.488   4.440  -9.952
  265    HH   TYR  37           HH       TYR  37  -0.523   7.626 -10.714
  266    H    PHE  38           H        PHE  38   3.163   1.643  -6.403
  267    HA   PHE  38           HA       PHE  38   4.686   0.813  -4.178
  268   1HB   PHE  38          2HB       PHE  38   3.961  -0.287  -6.707
  269   2HB   PHE  38          1HB       PHE  38   5.706  -0.426  -6.505
  270    HD1  PHE  38           1HD      PHE  38   2.530  -1.783  -5.659
  271    HD2  PHE  38           2HD      PHE  38   6.556  -1.509  -4.328
  272    HE1  PHE  38           1HE      PHE  38   2.175  -3.739  -4.217
  273    HE2  PHE  38           2HE      PHE  38   6.213  -3.469  -2.882
  274    HZ   PHE  38           HZ       PHE  38   4.017  -4.589  -2.828
  275    H    GLU  39           H        GLU  39   6.052   1.261  -7.419
  276    HA   GLU  39           HA       GLU  39   8.249   2.781  -6.190
  277   1HB   GLU  39          2HB       GLU  39   9.591   2.186  -8.152
  278   2HB   GLU  39          1HB       GLU  39   8.996   0.751  -7.329
  279   1HG   GLU  39          2HG       GLU  39   7.386   0.339  -9.005
  280   2HG   GLU  39          1HG       GLU  39   7.622   1.932  -9.723
  281    H    GLY  40           H        GLY  40   5.473   3.115  -7.986
  282   1HA   GLY  40          2HA       GLY  40   4.819   5.430  -8.486
  283   2HA   GLY  40          1HA       GLY  40   6.454   5.689  -9.074
  284    H    GLY  41           H        GLY  41   3.292   4.863  -9.908
  285   1HA   GLY  41          2HA       GLY  41   2.395   4.680 -12.046
  286   2HA   GLY  41          1HA       GLY  41   4.028   4.602 -12.695
  287    H    THR  42           H        THR  42   4.619   2.419 -10.694
  288    HA   THR  42           HA       THR  42   3.225   0.215 -12.049
  289    HB   THR  42           HB       THR  42   6.133   0.116 -11.263
  290    HG1  THR  42           1HG      THR  42   6.672   0.852 -13.244
  291   1HG2  THR  42          1HG2      THR  42   4.984  -2.031 -11.567
  292   2HG2  THR  42          2HG2      THR  42   6.203  -1.766 -12.813
  293   3HG2  THR  42          3HG2      THR  42   4.495  -1.537 -13.188
  294    H    LYS  43           H        LYS  43   2.715  -1.524 -10.832
  295    HA   LYS  43           HA       LYS  43   3.617  -1.578  -8.048
  296   1HB   LYS  43          2HB       LYS  43   1.525  -1.507  -7.128
  297   2HB   LYS  43          1HB       LYS  43   1.263  -0.484  -8.515
  298   1HG   LYS  43          2HG       LYS  43   0.577  -3.410  -8.491
  299   2HG   LYS  43          1HG       LYS  43  -0.553  -2.139  -8.035
  300   1HD   LYS  43          2HD       LYS  43  -0.285  -1.133 -10.268
  301   2HD   LYS  43          1HD       LYS  43   0.802  -2.449 -10.715
  302   1HE   LYS  43          2HE       LYS  43  -1.008  -4.061 -10.329
  303   2HE   LYS  43          1HE       LYS  43  -2.090  -2.737  -9.906
  304   1HZ   LYS  43          1HZ       LYS  43  -0.926  -3.380 -12.547
  305   2HZ   LYS  43          2HZ       LYS  43  -1.556  -1.842 -12.213
  306   3HZ   LYS  43          3HZ       LYS  43  -2.562  -3.209 -12.125
  307    H    GLU  44           H        GLU  44   4.104  -3.594  -7.333
  308    HA   GLU  44           HA       GLU  44   3.200  -5.847  -8.997
  309   1HB   GLU  44          2HB       GLU  44   5.373  -6.921  -8.729
  310   2HB   GLU  44          1HB       GLU  44   5.540  -5.356  -9.510
  311   1HG   GLU  44          2HG       GLU  44   5.902  -5.544  -6.561
  312   2HG   GLU  44          1HG       GLU  44   7.186  -6.119  -7.622
  313    H    SER  45           H        SER  45   2.719  -7.743  -8.022
  314    HA   SER  45           HA       SER  45   2.786  -7.825  -5.055
  315   1HB   SER  45          2HB       SER  45   1.033  -9.668  -5.437
  316   2HB   SER  45          1HB       SER  45   0.530  -8.006  -5.742
  317    HG   SER  45           HG       SER  45   1.573  -9.092  -7.982
  318    HA   PRO  46           HA       PRO  46   5.822 -11.012  -5.691
  319   1HB   PRO  46          2HB       PRO  46   5.334 -11.905  -2.955
  320   2HB   PRO  46          1HB       PRO  46   6.748 -11.080  -3.618
  321   1HG   PRO  46          2HG       PRO  46   5.052  -9.875  -1.887
  322   2HG   PRO  46          1HG       PRO  46   5.899  -8.984  -3.167
  323   1HD   PRO  46          2HD       PRO  46   3.078 -10.018  -3.134
  324   2HD   PRO  46          1HD       PRO  46   3.676  -8.422  -3.647
  325    H    ASN  47           H        ASN  47   5.789 -13.062  -6.382
  326    HA   ASN  47           HA       ASN  47   5.090 -15.157  -6.892
  327   1HB   ASN  47          2HB       ASN  47   3.401 -14.832  -4.404
  328   2HB   ASN  47          1HB       ASN  47   3.509 -16.325  -5.326
  329   1HD2  ASN  47          1HD2      ASN  47   4.312 -15.540  -2.539
  330   2HD2  ASN  47          2HD2      ASN  47   5.954 -16.057  -2.411
  331    H    GLU  48           H        GLU  48   3.894 -12.867  -8.098
  332    HA   GLU  48           HA       GLU  48   1.105 -13.670  -8.424
  333   1HB   GLU  48          2HB       GLU  48   0.676 -11.566  -9.401
  334   2HB   GLU  48          1HB       GLU  48   1.718 -11.255  -8.023
  335   1HG   GLU  48          2HG       GLU  48   3.562 -10.780  -9.383
  336   2HG   GLU  48          1HG       GLU  48   2.805 -11.500 -10.805
  337    H    SER  49           H        SER  49   0.273 -14.391 -10.180
  338    HA   SER  49           HA       SER  49   1.173 -14.316 -12.791
  339   1HB   SER  49          2HB       SER  49   3.069 -15.733 -11.942
  340   2HB   SER  49          1HB       SER  49   1.891 -16.948 -11.445
  341    HG   SER  49           HG       SER  49   2.804 -16.271 -13.978
  342    H    MET  50           H        MET  50  -0.043 -16.759 -10.528
  343    HA   MET  50           HA       MET  50  -2.476 -17.061 -12.076
  344   1HB   MET  50          2HB       MET  50  -3.093 -18.722 -10.330
  345   2HB   MET  50          1HB       MET  50  -1.595 -19.079 -11.173
  346   1HG   MET  50          2HG       MET  50  -0.302 -18.268  -9.300
  347   2HG   MET  50          1HG       MET  50  -1.775 -17.774  -8.467
  348   1HE   MET  50          1HE       MET  50   0.586 -19.647  -7.275
  349   2HE   MET  50          2HE       MET  50  -0.371 -20.837  -6.392
  350   3HE   MET  50          3HE       MET  50  -0.811 -19.132  -6.328
  351    H    PHE  51           H        PHE  51  -1.291 -15.669  -9.166
  352    HA   PHE  51           HA       PHE  51  -3.864 -14.336  -8.709
  353   1HB   PHE  51          2HB       PHE  51  -1.896 -15.602  -6.852
  354   2HB   PHE  51          1HB       PHE  51  -2.723 -14.155  -6.281
  355    HD1  PHE  51           1HD      PHE  51  -3.668 -17.260  -8.149
  356    HD2  PHE  51           2HD      PHE  51  -4.552 -14.579  -4.960
  357    HE1  PHE  51           1HE      PHE  51  -5.635 -18.613  -7.557
  358    HE2  PHE  51           2HE      PHE  51  -6.514 -15.933  -4.364
  359    HZ   PHE  51           HZ       PHE  51  -7.060 -17.950  -5.665
  360    H    THR  52           H        THR  52  -3.461 -12.055  -7.655
  361    HA   THR  52           HA       THR  52  -1.043 -10.767  -8.425
  362    HB   THR  52           HB       THR  52  -1.973 -11.356 -10.675
  363    HG1  THR  52           1HG      THR  52  -0.575  -9.627 -10.648
  364   1HG2  THR  52          1HG2      THR  52  -4.099  -9.337  -9.944
  365   2HG2  THR  52          2HG2      THR  52  -4.351 -11.069 -10.164
  366   3HG2  THR  52          3HG2      THR  52  -3.864 -10.067 -11.531
  367    H    VAL  53           H        VAL  53  -1.379  -8.314  -8.611
  368    HA   VAL  53           HA       VAL  53  -3.040  -7.551  -6.314
  369    HB   VAL  53           HB       VAL  53  -0.646  -7.198  -6.027
  370   1HG1  VAL  53          1HG1      VAL  53   0.602  -5.624  -7.415
  371   2HG1  VAL  53          2HG1      VAL  53  -0.814  -5.405  -8.444
  372   3HG1  VAL  53          3HG1      VAL  53  -0.015  -6.976  -8.369
  373   1HG2  VAL  53          1HG2      VAL  53  -2.163  -5.591  -4.971
  374   2HG2  VAL  53          2HG2      VAL  53  -2.073  -4.567  -6.402
  375   3HG2  VAL  53          3HG2      VAL  53  -0.634  -4.837  -5.422
  376    H    GLU  54           H        GLU  54  -4.537  -5.977  -6.438
  377    HA   GLU  54           HA       GLU  54  -4.820  -4.460  -8.950
  378   1HB   GLU  54          2HB       GLU  54  -7.121  -3.966  -8.185
  379   2HB   GLU  54          1HB       GLU  54  -6.846  -5.698  -8.330
  380   1HG   GLU  54          2HG       GLU  54  -7.120  -6.059  -6.135
  381   2HG   GLU  54          1HG       GLU  54  -6.283  -4.578  -5.682
  382    H    ASN  55           H        ASN  55  -4.848  -2.217  -8.867
  383    HA   ASN  55           HA       ASN  55  -4.233  -1.060  -6.232
  384   1HB   ASN  55          2HB       ASN  55  -2.794   0.590  -7.326
  385   2HB   ASN  55          1HB       ASN  55  -2.199  -1.051  -7.545
  386   1HD2  ASN  55          1HD2      ASN  55  -1.630   1.326  -9.109
  387   2HD2  ASN  55          2HD2      ASN  55  -2.117   0.976 -10.728
  388    H    LYS  56           H        LYS  56  -5.287   0.690  -5.621
  389    HA   LYS  56           HA       LYS  56  -6.907   2.201  -7.489
  390   1HB   LYS  56          2HB       LYS  56  -8.773   1.716  -5.551
  391   2HB   LYS  56          1HB       LYS  56  -8.733   0.939  -7.131
  392   1HG   LYS  56          2HG       LYS  56  -8.693  -0.981  -6.014
  393   2HG   LYS  56          1HG       LYS  56  -7.027  -0.586  -5.581
  394   1HD   LYS  56          2HD       LYS  56  -7.545  -0.105  -3.463
  395   2HD   LYS  56          1HD       LYS  56  -9.065   0.692  -3.910
  396   1HE   LYS  56          2HE       LYS  56  -8.502  -2.210  -3.487
  397   2HE   LYS  56          1HE       LYS  56  -9.722  -1.201  -2.717
  398   1HZ   LYS  56          1HZ       LYS  56 -10.732  -1.008  -5.022
  399   2HZ   LYS  56          2HZ       LYS  56 -10.887  -2.505  -4.247
  400   3HZ   LYS  56          3HZ       LYS  56  -9.726  -2.301  -5.470
  401    H    TYR  57           H        TYR  57  -6.442   4.198  -6.981
  402    HA   TYR  57           HA       TYR  57  -6.097   4.884  -4.150
  403   1HB   TYR  57          2HB       TYR  57  -4.470   6.664  -5.433
  404   2HB   TYR  57          1HB       TYR  57  -3.939   5.173  -4.657
  405    HD1  TYR  57           1HD      TYR  57  -4.861   6.679  -7.908
  406    HD2  TYR  57           2HD      TYR  57  -3.065   3.380  -5.907
  407    HE1  TYR  57           1HE      TYR  57  -4.017   5.843 -10.062
  408    HE2  TYR  57           2HE      TYR  57  -2.215   2.538  -8.058
  409    HH   TYR  57           HH       TYR  57  -2.235   4.395 -10.907
  410    H    PHE  58           H        PHE  58  -7.260   6.481  -3.434
  411    HA   PHE  58           HA       PHE  58  -8.504   8.319  -5.354
  412   1HB   PHE  58          2HB       PHE  58  -9.761   6.999  -2.941
  413   2HB   PHE  58          1HB       PHE  58 -10.521   8.283  -3.883
  414    HD1  PHE  58           1HD      PHE  58  -9.952   4.765  -3.600
  415    HD2  PHE  58           2HD      PHE  58 -10.967   7.858  -6.343
  416    HE1  PHE  58           1HE      PHE  58 -10.854   3.085  -5.155
  417    HE2  PHE  58           2HE      PHE  58 -11.871   6.184  -7.904
  418    HZ   PHE  58           HZ       PHE  58 -11.813   3.795  -7.309
  419    HA   PRO  59           HA       PRO  59  -6.819  11.194  -2.300
  420   1HB   PRO  59          2HB       PRO  59  -6.126  12.993  -4.354
  421   2HB   PRO  59          1HB       PRO  59  -5.046  11.852  -3.554
  422   1HG   PRO  59          2HG       PRO  59  -5.841  11.779  -6.247
  423   2HG   PRO  59          1HG       PRO  59  -5.019  10.488  -5.355
  424   1HD   PRO  59          2HD       PRO  59  -7.920  10.811  -5.986
  425   2HD   PRO  59          1HD       PRO  59  -6.946   9.329  -5.869
  426    HA   PRO  60           HA       PRO  60 -10.894  13.231  -2.679
  427   1HB   PRO  60          2HB       PRO  60 -10.360  13.752   0.144
  428   2HB   PRO  60          1HB       PRO  60 -11.708  12.883  -0.595
  429   1HG   PRO  60          2HG       PRO  60  -9.872  11.572   0.799
  430   2HG   PRO  60          1HG       PRO  60 -10.532  10.879  -0.700
  431   1HD   PRO  60          2HD       PRO  60  -7.955  12.376  -0.289
  432   2HD   PRO  60          1HD       PRO  60  -8.228  10.827  -1.127
  433    H    ASP  61           H        ASP  61  -7.879  14.402  -1.501
  434    HA   ASP  61           HA       ASP  61  -8.681  17.167  -1.883
  435   1HB   ASP  61          2HB       ASP  61  -9.167  16.366   0.544
  436   2HB   ASP  61          1HB       ASP  61  -7.419  16.348   0.729
  437    H    SER  62           H        SER  62  -6.525  18.446  -0.983
  438    HA   SER  62           HA       SER  62  -4.122  17.018  -1.699
  439   1HB   SER  62          2HB       SER  62  -4.998  17.646  -3.906
  440   2HB   SER  62          1HB       SER  62  -5.059  19.336  -3.408
  441    HG   SER  62           HG       SER  62  -2.664  18.868  -2.941
  442    H    LYS  63           H        LYS  63  -5.528  19.186   0.283
  443    HA   LYS  63           HA       LYS  63  -2.916  20.356   0.892
  444   1HB   LYS  63          2HB       LYS  63  -3.771  22.543   1.259
  445   2HB   LYS  63          1HB       LYS  63  -4.321  22.039  -0.329
  446   1HG   LYS  63          2HG       LYS  63  -6.034  21.860   2.134
  447   2HG   LYS  63          1HG       LYS  63  -5.982  23.282   1.095
  448   1HD   LYS  63          2HD       LYS  63  -6.640  21.787  -0.815
  449   2HD   LYS  63          1HD       LYS  63  -6.896  20.492   0.371
  450   1HE   LYS  63          2HE       LYS  63  -8.489  22.009   1.554
  451   2HE   LYS  63          1HE       LYS  63  -8.314  23.159   0.231
  452   1HZ   LYS  63          1HZ       LYS  63  -9.148  21.440  -1.287
  453   2HZ   LYS  63          2HZ       LYS  63 -10.275  21.811  -0.075
  454   3HZ   LYS  63          3HZ       LYS  63  -9.361  20.384   0.023
  455    H    LEU  64           H        LEU  64  -5.722  18.798   1.896
  456    HA   LEU  64           HA       LEU  64  -4.788  18.887   4.664
  457   1HB   LEU  64          2HB       LEU  64  -6.593  20.563   4.423
  458   2HB   LEU  64          1HB       LEU  64  -7.662  19.300   3.844
  459    HG   LEU  64           HG       LEU  64  -7.437  18.161   6.048
  460   1HD1  LEU  64          1HD1      LEU  64  -5.973  20.687   6.807
  461   2HD1  LEU  64          2HD1      LEU  64  -5.284  19.065   6.724
  462   3HD1  LEU  64          3HD1      LEU  64  -6.518  19.438   7.927
  463   1HD2  LEU  64          1HD2      LEU  64  -8.427  21.009   6.146
  464   2HD2  LEU  64          2HD2      LEU  64  -8.889  19.713   7.248
  465   3HD2  LEU  64          3HD2      LEU  64  -9.333  19.624   5.544
  466    H    LEU  65           H        LEU  65  -7.730  17.622   3.206
  467    HA   LEU  65           HA       LEU  65  -7.164  14.986   2.785
  468   1HB   LEU  65          2HB       LEU  65  -6.452  15.011   5.225
  469   2HB   LEU  65          1HB       LEU  65  -8.130  15.314   5.629
  470    HG   LEU  65           HG       LEU  65  -8.651  13.136   4.367
  471   1HD1  LEU  65          1HD1      LEU  65  -6.831  11.525   4.268
  472   2HD1  LEU  65          2HD1      LEU  65  -5.691  12.776   4.772
  473   3HD1  LEU  65          3HD1      LEU  65  -6.525  12.913   3.223
  474   1HD2  LEU  65          1HD2      LEU  65  -8.778  13.368   6.797
  475   2HD2  LEU  65          2HD2      LEU  65  -7.048  13.048   6.923
  476   3HD2  LEU  65          3HD2      LEU  65  -8.138  11.788   6.343
  477    H    GLY  66           H        GLY  66  -8.896  14.342   1.701
  478   1HA   GLY  66          2HA       GLY  66 -11.409  15.740   1.931
  479   2HA   GLY  66          1HA       GLY  66 -11.026  14.446   0.822
  480    H    ALA  67           H        ALA  67 -11.095  14.716   4.359
  481    HA   ALA  67           HA       ALA  67 -12.050  13.456   5.986
  482   1HB   ALA  67          1HB       ALA  67 -14.096  12.235   5.580
  483   2HB   ALA  67          2HB       ALA  67 -13.849  12.348   3.837
  484   3HB   ALA  67          3HB       ALA  67 -14.170  13.805   4.779
  485    H    GLY  68           H        GLY  68 -12.291  11.272   3.186
  486   1HA   GLY  68          2HA       GLY  68 -10.573   9.398   4.688
  487   2HA   GLY  68          1HA       GLY  68 -11.950   8.879   3.730
  488    H    GLY  69           H        GLY  69  -8.883  10.667   3.405
  489   1HA   GLY  69          2HA       GLY  69  -8.407  10.159   0.703
  490   2HA   GLY  69          1HA       GLY  69  -7.153  10.332   1.929
  491    H    THR  70           H        THR  70  -7.670   8.337  -0.418
  492    HA   THR  70           HA       THR  70  -7.135   5.951   1.121
  493    HB   THR  70           HB       THR  70  -9.177   4.935  -0.318
  494    HG1  THR  70           1HG      THR  70 -10.099   7.486   0.563
  495   1HG2  THR  70          1HG2      THR  70  -9.452   6.248   2.397
  496   2HG2  THR  70          2HG2      THR  70  -8.668   4.693   2.120
  497   3HG2  THR  70          3HG2      THR  70 -10.393   4.883   1.783
  498    H    GLU  71           H        GLU  71  -5.244   5.834  -0.043
  499    HA   GLU  71           HA       GLU  71  -5.529   5.008  -2.860
  500   1HB   GLU  71          2HB       GLU  71  -3.040   5.917  -1.385
  501   2HB   GLU  71          1HB       GLU  71  -3.150   5.533  -3.098
  502   1HG   GLU  71          2HG       GLU  71  -4.756   7.401  -3.363
  503   2HG   GLU  71          1HG       GLU  71  -4.484   7.826  -1.674
  504    H    HIS  72           H        HIS  72  -5.730   2.779  -2.905
  505    HA   HIS  72           HA       HIS  72  -4.213   1.347  -0.822
  506   1HB   HIS  72          2HB       HIS  72  -6.512  -0.046  -2.084
  507   2HB   HIS  72          1HB       HIS  72  -5.825  -0.183  -0.479
  508    HD1  HIS  72           1HD      HIS  72  -8.338  -0.265   0.272
  509    HD2  HIS  72           2HD      HIS  72  -7.032   3.379  -1.196
  510    HE1  HIS  72           1HE      HIS  72 -10.030   1.396   1.020
  511    HE2  HIS  72           2HE      HIS  72  -9.403   3.511  -0.176
  512    H    PHE  73           H        PHE  73  -3.526  -0.751  -1.241
  513    HA   PHE  73           HA       PHE  73  -3.180  -1.540  -4.051
  514   1HB   PHE  73          2HB       PHE  73  -1.169  -1.306  -1.830
  515   2HB   PHE  73          1HB       PHE  73  -0.895  -2.427  -3.161
  516    HD1  PHE  73           1HD      PHE  73  -0.123  -1.648  -5.248
  517    HD2  PHE  73           2HD      PHE  73  -1.445   1.126  -2.307
  518    HE1  PHE  73           1HE      PHE  73   0.760   0.205  -6.603
  519    HE2  PHE  73           2HE      PHE  73  -0.562   2.983  -3.656
  520    HZ   PHE  73           HZ       PHE  73   0.541   2.523  -5.808
  521    H    HIS  74           H        HIS  74  -4.313  -3.411  -4.239
  522    HA   HIS  74           HA       HIS  74  -4.543  -5.119  -1.844
  523   1HB   HIS  74          2HB       HIS  74  -6.390  -4.631  -4.166
  524   2HB   HIS  74          1HB       HIS  74  -6.585  -6.024  -3.113
  525    HD1  HIS  74           1HD      HIS  74  -8.955  -4.888  -2.665
  526    HD2  HIS  74           2HD      HIS  74  -5.649  -2.878  -1.132
  527    HE1  HIS  74           1HE      HIS  74  -9.847  -3.334  -0.918
  528    HE2  HIS  74           2HE      HIS  74  -7.794  -2.465   0.245
  529    H    VAL  75           H        VAL  75  -3.100  -6.822  -1.992
  530    HA   VAL  75           HA       VAL  75  -2.772  -7.984  -4.664
  531    HB   VAL  75           HB       VAL  75  -0.578  -7.691  -4.197
  532   1HG1  VAL  75          1HG1      VAL  75   0.426  -7.475  -2.013
  533   2HG1  VAL  75          2HG1      VAL  75  -1.104  -7.913  -1.242
  534   3HG1  VAL  75          3HG1      VAL  75  -0.975  -6.411  -2.161
  535   1HG2  VAL  75          1HG2      VAL  75  -1.029 -10.116  -2.465
  536   2HG2  VAL  75          2HG2      VAL  75   0.497  -9.622  -3.199
  537   3HG2  VAL  75          3HG2      VAL  75  -0.853 -10.120  -4.222
  538    H    THR  76           H        THR  76  -3.772  -9.751  -5.086
  539    HA   THR  76           HA       THR  76  -4.681 -11.459  -2.879
  540    HB   THR  76           HB       THR  76  -5.549 -11.669  -5.766
  541    HG1  THR  76           1HG      THR  76  -6.198  -9.630  -5.274
  542   1HG2  THR  76          1HG2      THR  76  -7.537 -12.707  -4.786
  543   2HG2  THR  76          2HG2      THR  76  -6.880 -12.454  -3.169
  544   3HG2  THR  76          3HG2      THR  76  -6.072 -13.554  -4.287
  545    H    VAL  77           H        VAL  77  -3.125 -12.898  -2.473
  546    HA   VAL  77           HA       VAL  77  -2.221 -14.643  -4.636
  547    HB   VAL  77           HB       VAL  77  -0.465 -12.952  -4.556
  548   1HG1  VAL  77          1HG1      VAL  77  -0.232 -13.607  -1.622
  549   2HG1  VAL  77          2HG1      VAL  77  -0.852 -12.104  -2.305
  550   3HG1  VAL  77          3HG1      VAL  77   0.842 -12.543  -2.531
  551   1HG2  VAL  77          1HG2      VAL  77   1.470 -14.355  -4.079
  552   2HG2  VAL  77          2HG2      VAL  77   0.224 -15.285  -4.914
  553   3HG2  VAL  77          3HG2      VAL  77   0.455 -15.477  -3.173
  554    H    LYS  78           H        LYS  78  -1.710 -16.746  -3.916
  555    HA   LYS  78           HA       LYS  78  -1.386 -17.044  -1.044
  556   1HB   LYS  78          2HB       LYS  78  -2.754 -18.906  -0.807
  557   2HB   LYS  78          1HB       LYS  78  -3.703 -17.796  -1.768
  558   1HG   LYS  78          2HG       LYS  78  -2.147 -20.092  -2.935
  559   2HG   LYS  78          1HG       LYS  78  -3.835 -20.199  -2.442
  560   1HD   LYS  78          2HD       LYS  78  -4.463 -18.543  -4.073
  561   2HD   LYS  78          1HD       LYS  78  -2.772 -18.249  -4.487
  562   1HE   LYS  78          2HE       LYS  78  -3.869 -19.676  -6.144
  563   2HE   LYS  78          1HE       LYS  78  -2.557 -20.518  -5.323
  564   1HZ   LYS  78          1HZ       LYS  78  -4.276 -21.527  -3.864
  565   2HZ   LYS  78          2HZ       LYS  78  -4.390 -21.985  -5.490
  566   3HZ   LYS  78          3HZ       LYS  78  -5.472 -20.843  -4.854
  567    H    ALA  79           H        ALA  79   0.700 -17.394  -0.932
  568    HA   ALA  79           HA       ALA  79   1.801 -19.853  -1.766
  569   1HB   ALA  79          1HB       ALA  79   3.548 -19.030  -3.273
  570   2HB   ALA  79          2HB       ALA  79   2.851 -17.410  -3.198
  571   3HB   ALA  79          3HB       ALA  79   1.943 -18.728  -3.939
  572    H    ALA  80           H        ALA  80   3.293 -20.379  -0.293
  573    HA   ALA  80           HA       ALA  80   3.851 -18.810   1.914
  574   1HB   ALA  80          1HB       ALA  80   5.508 -20.467   2.514
  575   2HB   ALA  80          2HB       ALA  80   5.534 -21.077   0.859
  576   3HB   ALA  80          3HB       ALA  80   4.081 -21.256   1.842
  577    H    GLY  81           H        GLY  81   4.686 -16.825   1.670
  578   1HA   GLY  81          2HA       GLY  81   7.502 -16.603   1.056
  579   2HA   GLY  81          1HA       GLY  81   6.451 -15.800  -0.103
  580    H    THR  82           H        THR  82   8.248 -14.301   1.350
  581    HA   THR  82           HA       THR  82   6.555 -13.052   3.404
  582    HB   THR  82           HB       THR  82   9.343 -12.108   2.939
  583    HG1  THR  82           1HG      THR  82   9.777 -14.275   2.967
  584   1HG2  THR  82          1HG2      THR  82   9.251 -11.961   5.420
  585   2HG2  THR  82          2HG2      THR  82   7.610 -12.616   5.364
  586   3HG2  THR  82          3HG2      THR  82   7.963 -11.052   4.630
  587    H    HIS  83           H        HIS  83   5.664 -11.121   3.056
  588    HA   HIS  83           HA       HIS  83   6.138  -9.882   0.437
  589   1HB   HIS  83          2HB       HIS  83   3.785 -10.724   1.131
  590   2HB   HIS  83          1HB       HIS  83   3.786  -9.377   2.260
  591    HD1  HIS  83           1HD      HIS  83   5.268  -7.416   0.109
  592    HD2  HIS  83           2HD      HIS  83   1.736  -9.554  -0.402
  593    HE1  HIS  83           1HE      HIS  83   3.954  -6.151  -1.624
  594    HE2  HIS  83           2HE      HIS  83   1.772  -7.392  -1.819
  595    H    ALA  84           H        ALA  84   7.651  -8.324   0.697
  596    HA   ALA  84           HA       ALA  84   7.392  -6.509   2.995
  597   1HB   ALA  84          1HB       ALA  84   9.634  -6.812   0.988
  598   2HB   ALA  84          2HB       ALA  84   9.624  -7.440   2.638
  599   3HB   ALA  84          3HB       ALA  84   9.626  -5.698   2.357
  600    H    VAL  85           H        VAL  85   6.153  -4.804   2.631
  601    HA   VAL  85           HA       VAL  85   5.676  -4.080  -0.186
  602    HB   VAL  85           HB       VAL  85   3.938  -3.135   2.044
  603   1HG1  VAL  85          1HG1      VAL  85   2.204  -3.256   0.338
  604   2HG1  VAL  85          2HG1      VAL  85   3.362  -3.944  -0.799
  605   3HG1  VAL  85          3HG1      VAL  85   3.574  -2.295  -0.215
  606   1HG2  VAL  85          1HG2      VAL  85   3.783  -5.892   0.837
  607   2HG2  VAL  85          2HG2      VAL  85   2.592  -5.171   1.921
  608   3HG2  VAL  85          3HG2      VAL  85   4.225  -5.506   2.502
  609    H    ASN  86           H        ASN  86   7.042  -2.514  -0.706
  610    HA   ASN  86           HA       ASN  86   7.241  -0.183   1.085
  611   1HB   ASN  86          2HB       ASN  86   9.107  -1.156  -1.095
  612   2HB   ASN  86          1HB       ASN  86   9.265   0.405  -0.305
  613   1HD2  ASN  86          1HD2      ASN  86   8.365  -2.610   1.273
  614   2HD2  ASN  86          2HD2      ASN  86   9.789  -2.733   2.242
  615    H    LEU  87           H        LEU  87   5.689   1.156   0.507
  616    HA   LEU  87           HA       LEU  87   5.162   1.581  -2.352
  617   1HB   LEU  87          2HB       LEU  87   3.476   2.197   0.075
  618   2HB   LEU  87          1HB       LEU  87   3.033   2.611  -1.572
  619    HG   LEU  87           HG       LEU  87   3.471  -0.202  -0.568
  620   1HD1  LEU  87          1HD1      LEU  87   1.041  -0.427  -0.766
  621   2HD1  LEU  87          2HD1      LEU  87   0.921   1.296  -1.123
  622   3HD1  LEU  87          3HD1      LEU  87   1.503   0.759   0.455
  623   1HD2  LEU  87          1HD2      LEU  87   3.948   0.062  -2.921
  624   2HD2  LEU  87          2HD2      LEU  87   2.376   0.824  -3.167
  625   3HD2  LEU  87          3HD2      LEU  87   2.472  -0.867  -2.670
  626    H    THR  88           H        THR  88   5.639   3.490  -3.248
  627    HA   THR  88           HA       THR  88   7.100   5.325  -1.493
  628    HB   THR  88           HB       THR  88   7.301   5.208  -4.504
  629    HG1  THR  88           1HG      THR  88   7.837   3.161  -3.927
  630   1HG2  THR  88          1HG2      THR  88   9.494   6.157  -4.118
  631   2HG2  THR  88          2HG2      THR  88   9.310   5.974  -2.374
  632   3HG2  THR  88          3HG2      THR  88   8.306   7.131  -3.249
  633    H    TYR  89           H        TYR  89   6.361   7.247  -1.119
  634    HA   TYR  89           HA       TYR  89   3.883   8.132  -2.386
  635   1HB   TYR  89          2HB       TYR  89   4.287   7.924   0.146
  636   2HB   TYR  89          1HB       TYR  89   5.311   9.342  -0.009
  637    HD1  TYR  89           1HD      TYR  89   2.668   9.594  -2.302
  638    HD2  TYR  89           2HD      TYR  89   3.565  10.020   1.823
  639    HE1  TYR  89           1HE      TYR  89   0.695  11.021  -2.029
  640    HE2  TYR  89           2HE      TYR  89   1.590  11.455   2.110
  641    HH   TYR  89           HH       TYR  89  -0.056  12.581   1.046
  642    H    MET  90           H        MET  90   4.664   8.993  -4.363
  643    HA   MET  90           HA       MET  90   6.388  11.384  -4.114
  644   1HB   MET  90          2HB       MET  90   6.752   9.832  -6.583
  645   2HB   MET  90          1HB       MET  90   7.925  10.718  -5.626
  646   1HG   MET  90          2HG       MET  90   8.240   8.924  -4.153
  647   2HG   MET  90          1HG       MET  90   6.842   8.056  -4.795
  648   1HE   MET  90          1HE       MET  90   7.238   8.700  -7.938
  649   2HE   MET  90          2HE       MET  90   6.732   7.125  -7.326
  650   3HE   MET  90          3HE       MET  90   8.083   7.239  -8.452
  651    H    ARG  91           H        ARG  91   6.335  12.739  -6.005
  652    HA   ARG  91           HA       ARG  91   3.805  13.113  -7.192
  653   1HB   ARG  91          2HB       ARG  91   6.561  14.218  -7.548
  654   2HB   ARG  91          1HB       ARG  91   5.408  14.461  -8.861
  655   1HG   ARG  91          2HG       ARG  91   3.868  15.549  -7.330
  656   2HG   ARG  91          1HG       ARG  91   4.959  15.234  -5.985
  657   1HD   ARG  91          2HD       ARG  91   6.655  16.653  -7.035
  658   2HD   ARG  91          1HD       ARG  91   5.554  16.967  -8.377
  659    HE   ARG  91           HE       ARG  91   4.123  17.722  -6.201
  660   1HH1  ARG  91          1HH1      ARG  91   7.276  18.592  -7.456
  661   2HH1  ARG  91          2HH1      ARG  91   7.273  20.164  -6.705
  662   1HH2  ARG  91          1HH2      ARG  91   4.103  19.770  -5.227
  663   2HH2  ARG  91          2HH2      ARG  91   5.465  20.836  -5.427
  664    HA   PRO  92           HA       PRO  92   4.043   9.428  -9.650
  665   1HB   PRO  92          2HB       PRO  92   1.964  10.190 -11.378
  666   2HB   PRO  92          1HB       PRO  92   1.803   9.266  -9.882
  667   1HG   PRO  92          2HG       PRO  92   1.390  12.173 -10.374
  668   2HG   PRO  92          1HG       PRO  92   0.526  11.082  -9.274
  669   1HD   PRO  92          2HD       PRO  92   2.323  12.847  -8.369
  670   2HD   PRO  92          1HD       PRO  92   2.168  11.234  -7.643
  671    H    TRP  93           H        TRP  93   4.182  12.630 -11.103
  672    HA   TRP  93           HA       TRP  93   5.034  11.519 -13.648
  673   1HB   TRP  93          2HB       TRP  93   5.100  13.891 -14.397
  674   2HB   TRP  93          1HB       TRP  93   3.532  13.391 -13.775
  675    HD1  TRP  93           HD       TRP  93   6.362  15.825 -13.130
  676    HE1  TRP  93           1HE      TRP  93   5.681  17.448 -11.245
  677    HE3  TRP  93           3HE      TRP  93   2.077  13.511 -11.594
  678    HZ2  TRP  93           2HZ      TRP  93   3.588  17.704  -9.362
  679    HZ3  TRP  93           3HZ      TRP  93   0.790  14.506  -9.751
  680    HH2  TRP  93           HH       TRP  93   1.527  16.561  -8.658
  681    H    THR  94           H        THR  94   6.567  12.159 -10.788
  682    HA   THR  94           HA       THR  94   9.126  11.835 -11.934
  683    HB   THR  94           HB       THR  94   9.011  14.154 -12.544
  684    HG1  THR  94           1HG      THR  94  10.721  14.905 -10.827
  685   1HG2  THR  94          1HG2      THR  94   7.306  14.927 -10.971
  686   2HG2  THR  94          2HG2      THR  94   8.732  15.963 -10.929
  687   3HG2  THR  94          3HG2      THR  94   8.461  14.786  -9.645
  688    H    GLY  95           H        GLY  95   7.859  13.505  -9.007
  689   1HA   GLY  95          2HA       GLY  95   7.961  12.850  -6.779
  690   2HA   GLY  95          1HA       GLY  95   8.615  11.301  -7.322
  691    HA   PRO  96           HA       PRO  96  12.042  14.866  -6.577
  692   1HB   PRO  96          2HB       PRO  96  10.875  15.246  -3.862
  693   2HB   PRO  96          1HB       PRO  96  11.690  16.404  -4.907
  694   1HG   PRO  96          2HG       PRO  96   9.051  16.463  -4.629
  695   2HG   PRO  96          1HG       PRO  96   9.818  16.791  -6.194
  696   1HD   PRO  96          2HD       PRO  96   8.366  14.370  -5.266
  697   2HD   PRO  96          1HD       PRO  96   8.464  15.080  -6.890
  698    H    SER  97           H        SER  97  13.849  13.840  -6.019
  699    HA   SER  97           HA       SER  97  13.778  11.173  -5.324
  700   1HB   SER  97          2HB       SER  97  16.150  13.027  -5.088
  701   2HB   SER  97          1HB       SER  97  16.198  11.271  -5.273
  702    HG   SER  97           HG       SER  97  16.430  12.718  -7.228
  703    H    HIS  98           H        HIS  98  14.088  13.926  -3.140
  704    HA   HIS  98           HA       HIS  98  14.199  11.954  -0.957
  705   1HB   HIS  98          2HB       HIS  98  15.715  13.299   0.338
  706   2HB   HIS  98          1HB       HIS  98  16.432  13.009  -1.241
  707    HD1  HIS  98           1HD      HIS  98  15.209  15.702   1.002
  708    HD2  HIS  98           2HD      HIS  98  16.669  15.314  -2.873
  709    HE1  HIS  98           1HE      HIS  98  15.727  18.041   0.236
  710    HE2  HIS  98           2HE      HIS  98  16.452  17.796  -2.166
  711    H    ASP  99           H        ASP  99  12.102  13.823  -2.313
  712    HA   ASP  99           HA       ASP  99  11.192  15.047   0.221
  713   1HB   ASP  99          2HB       ASP  99  11.625  16.528  -1.851
  714   2HB   ASP  99          1HB       ASP  99  10.147  15.816  -2.496
  715    H    SER 100           H        SER 100  10.833  12.467  -1.667
  716    HA   SER 100           HA       SER 100   7.943  12.191  -1.420
  717   1HB   SER 100          2HB       SER 100   9.984  10.344  -2.682
  718   2HB   SER 100          1HB       SER 100   8.230  10.237  -2.838
  719    HG   SER 100           HG       SER 100  10.010  12.133  -3.929
  720    H    GLU 101           H        GLU 101   6.988  10.786  -0.014
  721    HA   GLU 101           HA       GLU 101   8.678   9.654   2.081
  722   1HB   GLU 101          2HB       GLU 101   6.461  10.910   2.497
  723   2HB   GLU 101          1HB       GLU 101   5.665   9.453   1.917
  724   1HG   GLU 101          2HG       GLU 101   6.899   8.190   3.701
  725   2HG   GLU 101          1HG       GLU 101   7.423   9.744   4.340
  726    H    ARG 102           H        ARG 102   7.752   7.346   2.849
  727    HA   ARG 102           HA       ARG 102   6.732   5.719   0.717
  728   1HB   ARG 102          2HB       ARG 102   9.304   5.862   0.374
  729   2HB   ARG 102          1HB       ARG 102   9.414   4.860   1.816
  730   1HG   ARG 102          2HG       ARG 102   8.048   3.151   0.736
  731   2HG   ARG 102          1HG       ARG 102   7.932   4.153  -0.706
  732   1HD   ARG 102          2HD       ARG 102  10.495   4.070  -0.738
  733   2HD   ARG 102          1HD       ARG 102  10.332   2.734   0.406
  734    HE   ARG 102           HE       ARG 102   8.675   2.353  -1.888
  735   1HH1  ARG 102          1HH1      ARG 102  12.000   2.040  -0.781
  736   2HH1  ARG 102          2HH1      ARG 102  12.407   0.881  -2.011
  737   1HH2  ARG 102          1HH2      ARG 102   9.227   0.823  -3.466
  738   2HH2  ARG 102          2HH2      ARG 102  10.846   0.190  -3.529
  739    H    PHE 103           H        PHE 103   5.907   3.881   1.372
  740    HA   PHE 103           HA       PHE 103   5.583   3.528   4.259
  741   1HB   PHE 103          2HB       PHE 103   3.438   3.728   3.447
  742   2HB   PHE 103          1HB       PHE 103   3.875   3.136   1.848
  743    HD1  PHE 103           1HD      PHE 103   2.796   2.239   5.195
  744    HD2  PHE 103           2HD      PHE 103   3.917   0.783   1.366
  745    HE1  PHE 103           1HE      PHE 103   1.900   0.031   5.775
  746    HE2  PHE 103           2HE      PHE 103   3.019  -1.426   1.934
  747    HZ   PHE 103           HZ       PHE 103   2.014  -1.802   4.142
  748    H    THR 104           H        THR 104   5.717   1.371   5.135
  749    HA   THR 104           HA       THR 104   6.713  -0.719   3.407
  750    HB   THR 104           HB       THR 104   8.426   0.368   5.661
  751    HG1  THR 104           1HG      THR 104   8.843   1.641   3.937
  752   1HG2  THR 104          1HG2      THR 104  10.061  -1.338   4.913
  753   2HG2  THR 104          2HG2      THR 104   8.827  -1.998   3.837
  754   3HG2  THR 104          3HG2      THR 104   8.584  -2.032   5.583
  755    H    VAL 105           H        VAL 105   5.000  -2.057   4.094
  756    HA   VAL 105           HA       VAL 105   5.236  -2.819   6.920
  757    HB   VAL 105           HB       VAL 105   2.922  -2.415   6.104
  758   1HG1  VAL 105          1HG1      VAL 105   1.875  -4.062   4.632
  759   2HG1  VAL 105          2HG1      VAL 105   3.445  -4.826   4.382
  760   3HG1  VAL 105          3HG1      VAL 105   3.167  -3.177   3.822
  761   1HG2  VAL 105          1HG2      VAL 105   1.944  -4.378   7.109
  762   2HG2  VAL 105          2HG2      VAL 105   3.406  -3.943   7.987
  763   3HG2  VAL 105          3HG2      VAL 105   3.431  -5.292   6.856
  764    H    TYR 106           H        TYR 106   6.044  -4.696   7.504
  765    HA   TYR 106           HA       TYR 106   7.008  -6.506   5.406
  766   1HB   TYR 106          2HB       TYR 106   7.830  -6.167   8.291
  767   2HB   TYR 106          1HB       TYR 106   8.402  -7.462   7.259
  768    HD1  TYR 106           1HD      TYR 106   9.602  -6.728   5.065
  769    HD2  TYR 106           2HD      TYR 106   9.027  -4.187   8.426
  770    HE1  TYR 106           1HE      TYR 106  11.465  -5.313   4.304
  771    HE2  TYR 106           2HE      TYR 106  10.886  -2.764   7.676
  772    HH   TYR 106           HH       TYR 106  12.278  -3.025   4.570
  773    H    LEU 107           H        LEU 107   5.448  -7.945   5.023
  774    HA   LEU 107           HA       LEU 107   4.223  -9.260   7.349
  775   1HB   LEU 107          2HB       LEU 107   2.101  -9.285   6.250
  776   2HB   LEU 107          1HB       LEU 107   2.692  -7.640   6.252
  777    HG   LEU 107           HG       LEU 107   3.588  -8.452   3.833
  778   1HD1  LEU 107          1HD1      LEU 107   2.552 -10.651   4.021
  779   2HD1  LEU 107          2HD1      LEU 107   1.819  -9.707   2.723
  780   3HD1  LEU 107          3HD1      LEU 107   0.978  -9.895   4.262
  781   1HD2  LEU 107          1HD2      LEU 107   1.676  -7.259   2.904
  782   2HD2  LEU 107          2HD2      LEU 107   2.342  -6.422   4.306
  783   3HD2  LEU 107          3HD2      LEU 107   0.855  -7.359   4.460
  784    H    LYS 108           H        LYS 108   3.658 -11.484   7.020
  785    HA   LYS 108           HA       LYS 108   5.208 -12.705   4.841
  786   1HB   LYS 108          2HB       LYS 108   5.735 -13.360   7.206
  787   2HB   LYS 108          1HB       LYS 108   4.118 -14.028   7.317
  788   1HG   LYS 108          2HG       LYS 108   5.191 -15.923   6.739
  789   2HG   LYS 108          1HG       LYS 108   4.908 -15.277   5.117
  790   1HD   LYS 108          2HD       LYS 108   7.136 -14.291   5.118
  791   2HD   LYS 108          1HD       LYS 108   7.423 -14.925   6.741
  792   1HE   LYS 108          2HE       LYS 108   7.138 -17.212   5.877
  793   2HE   LYS 108          1HE       LYS 108   6.890 -16.559   4.258
  794   1HZ   LYS 108          1HZ       LYS 108   9.367 -16.380   5.888
  795   2HZ   LYS 108          2HZ       LYS 108   9.136 -15.578   4.413
  796   3HZ   LYS 108          3HZ       LYS 108   9.143 -17.273   4.462
  797    H    ALA 109           H        ALA 109   4.016 -13.296   3.120
  798    HA   ALA 109           HA       ALA 109   1.158 -13.814   3.543
  799   1HB   ALA 109          1HB       ALA 109   0.835 -13.233   1.190
  800   2HB   ALA 109          2HB       ALA 109   2.575 -13.014   1.001
  801   3HB   ALA 109          3HB       ALA 109   1.661 -11.929   2.047
  802    H    ASN 110           H        ASN 110   0.385 -15.830   3.205
  803    HA   ASN 110           HA       ASN 110   2.075 -17.734   1.748
  804   1HB   ASN 110          2HB       ASN 110   1.075 -18.385   4.530
  805   2HB   ASN 110          1HB       ASN 110   2.168 -19.334   3.532
  806   1HD2  ASN 110          1HD2      ASN 110   1.841 -16.622   5.642
  807   2HD2  ASN 110          2HD2      ASN 110   3.527 -16.327   5.858
  Start of MODEL    2
    1    H    HIS   3           H        HIS   3  -6.452 -10.046   4.229
    2    HA   HIS   3           HA       HIS   3  -5.671  -9.083   6.853
    3   1HB   HIS   3          2HB       HIS   3  -3.816 -10.602   6.511
    4   2HB   HIS   3          1HB       HIS   3  -3.707 -10.133   4.806
    5    HD1  HIS   3           1HD      HIS   3  -3.427  -8.340   8.159
    6    HD2  HIS   3           2HD      HIS   3  -1.661  -8.445   4.382
    7    HE1  HIS   3           1HE      HIS   3  -1.683  -6.525   8.176
    8    HE2  HIS   3           2HE      HIS   3  -0.770  -6.479   5.830
    9    H    LYS   4           H        LYS   4  -5.202  -6.890   6.842
   10    HA   LYS   4           HA       LYS   4  -4.838  -5.565   4.262
   11   1HB   LYS   4          2HB       LYS   4  -6.533  -3.882   4.757
   12   2HB   LYS   4          1HB       LYS   4  -7.244  -5.489   4.696
   13   1HG   LYS   4          2HG       LYS   4  -7.153  -5.542   7.188
   14   2HG   LYS   4          1HG       LYS   4  -6.640  -3.851   7.147
   15   1HD   LYS   4          2HD       LYS   4  -9.223  -4.976   6.060
   16   2HD   LYS   4          1HD       LYS   4  -9.034  -3.987   7.510
   17   1HE   LYS   4          2HE       LYS   4  -8.318  -2.105   6.197
   18   2HE   LYS   4          1HE       LYS   4  -8.299  -3.082   4.730
   19   1HZ   LYS   4          1HZ       LYS   4 -10.692  -2.350   6.328
   20   2HZ   LYS   4          2HZ       LYS   4 -10.706  -3.375   4.979
   21   3HZ   LYS   4          3HZ       LYS   4 -10.276  -1.744   4.801
   22    H    VAL   5           H        VAL   5  -3.537  -3.755   4.347
   23    HA   VAL   5           HA       VAL   5  -2.512  -3.066   7.017
   24    HB   VAL   5           HB       VAL   5  -1.148  -3.180   4.371
   25   1HG1  VAL   5          1HG1      VAL   5  -0.943  -0.819   4.765
   26   2HG1  VAL   5          2HG1      VAL   5   0.598  -1.601   5.140
   27   3HG1  VAL   5          3HG1      VAL   5  -0.484  -1.102   6.443
   28   1HG2  VAL   5          1HG2      VAL   5   0.689  -3.926   5.752
   29   2HG2  VAL   5          2HG2      VAL   5  -0.778  -4.818   6.165
   30   3HG2  VAL   5          3HG2      VAL   5  -0.208  -3.513   7.212
   31    H    THR   6           H        THR   6  -2.652  -1.104   7.803
   32    HA   THR   6           HA       THR   6  -3.602   1.088   6.103
   33    HB   THR   6           HB       THR   6  -4.079   2.042   8.552
   34    HG1  THR   6           1HG      THR   6  -4.453   0.480  10.018
   35   1HG2  THR   6          1HG2      THR   6  -5.744   1.893   6.828
   36   2HG2  THR   6          2HG2      THR   6  -6.405   1.159   8.293
   37   3HG2  THR   6          3HG2      THR   6  -5.816   0.135   6.979
   38    H    LYS   7           H        LYS   7  -2.873   3.276   7.026
   39    HA   LYS   7           HA       LYS   7  -0.337   3.748   6.321
   40   1HB   LYS   7          2HB       LYS   7  -1.989   5.480   6.747
   41   2HB   LYS   7          1HB       LYS   7  -1.807   5.249   8.480
   42   1HG   LYS   7          2HG       LYS   7  -0.601   7.229   7.527
   43   2HG   LYS   7          1HG       LYS   7   0.402   6.111   8.455
   44   1HD   LYS   7          2HD       LYS   7   1.325   5.165   6.477
   45   2HD   LYS   7          1HD       LYS   7   0.158   6.006   5.447
   46   1HE   LYS   7          2HE       LYS   7   2.451   7.003   5.451
   47   2HE   LYS   7          1HE       LYS   7   1.180   8.123   5.930
   48   1HZ   LYS   7          1HZ       LYS   7   2.723   6.636   7.970
   49   2HZ   LYS   7          2HZ       LYS   7   1.864   8.095   8.129
   50   3HZ   LYS   7          3HZ       LYS   7   3.335   8.063   7.285
   51    H    ALA   8           H        ALA   8  -1.195   3.011   9.728
   52    HA   ALA   8           HA       ALA   8   1.263   3.654  10.885
   53   1HB   ALA   8          1HB       ALA   8   0.607   2.223  12.739
   54   2HB   ALA   8          2HB       ALA   8  -0.627   1.463  11.733
   55   3HB   ALA   8          3HB       ALA   8  -0.767   3.166  12.163
   56    H    HIS   9           H        HIS   9   0.322   0.809   9.112
   57    HA   HIS   9           HA       HIS   9   2.444  -0.881   9.918
   58   1HB   HIS   9          2HB       HIS   9   0.785  -0.917   7.411
   59   2HB   HIS   9          1HB       HIS   9   1.918  -2.178   7.872
   60    HD1  HIS   9           1HD      HIS   9  -1.445  -0.831   8.582
   61    HD2  HIS   9           2HD      HIS   9   1.049  -3.829  10.006
   62    HE1  HIS   9           1HE      HIS   9  -2.956  -2.466   9.750
   63    HE2  HIS   9           2HE      HIS   9  -1.426  -4.245  10.675
   64    H    ASN  10           H        ASN  10   2.533   1.948   8.215
   65    HA   ASN  10           HA       ASN  10   4.454   1.760   6.273
   66   1HB   ASN  10          2HB       ASN  10   3.419   3.884   6.945
   67   2HB   ASN  10          1HB       ASN  10   4.261   3.825   8.492
   68   1HD2  ASN  10          1HD2      ASN  10   4.493   4.514   5.128
   69   2HD2  ASN  10          2HD2      ASN  10   6.079   5.208   5.156
   70    H    GLY  11           H        GLY  11   4.707   0.929   9.587
   71   1HA   GLY  11          2HA       GLY  11   7.506   0.147   9.126
   72   2HA   GLY  11          1HA       GLY  11   7.124   1.055  10.582
   73    H    ALA  12           H        ALA  12   5.686  -1.723   8.832
   74    HA   ALA  12           HA       ALA  12   5.250  -2.977  11.470
   75   1HB   ALA  12          1HB       ALA  12   3.360  -2.417   9.730
   76   2HB   ALA  12          2HB       ALA  12   3.303  -3.873  10.726
   77   3HB   ALA  12          3HB       ALA  12   3.855  -3.977   9.056
   78    H    THR  13           H        THR  13   5.465  -5.210  11.741
   79    HA   THR  13           HA       THR  13   6.617  -6.821   9.593
   80    HB   THR  13           HB       THR  13   7.862  -6.765  12.364
   81    HG1  THR  13           1HG      THR  13   8.311  -5.199  10.168
   82   1HG2  THR  13          1HG2      THR  13   7.999  -8.933  11.222
   83   2HG2  THR  13          2HG2      THR  13   9.588  -8.177  11.344
   84   3HG2  THR  13          3HG2      THR  13   8.710  -8.150   9.813
   85    H    LEU  14           H        LEU  14   5.034  -8.364   9.452
   86    HA   LEU  14           HA       LEU  14   4.024  -9.650  11.875
   87   1HB   LEU  14          2HB       LEU  14   2.451  -7.894  10.049
   88   2HB   LEU  14          1HB       LEU  14   1.660  -9.278  10.782
   89    HG   LEU  14           HG       LEU  14   3.038  -7.074  12.313
   90   1HD1  LEU  14          1HD1      LEU  14   1.009  -6.295  11.178
   91   2HD1  LEU  14          2HD1      LEU  14   0.796  -6.366  12.928
   92   3HD1  LEU  14          3HD1      LEU  14   0.100  -7.621  11.904
   93   1HD2  LEU  14          1HD2      LEU  14   1.357  -9.416  13.191
   94   2HD2  LEU  14          2HD2      LEU  14   1.960  -8.133  14.246
   95   3HD2  LEU  14          3HD2      LEU  14   3.093  -9.222  13.440
   96    H    THR  15           H        THR  15   2.572 -11.480  11.419
   97    HA   THR  15           HA       THR  15   3.084 -12.717   8.803
   98    HB   THR  15           HB       THR  15   2.126 -13.880  11.416
   99    HG1  THR  15           1HG      THR  15   4.425 -13.563  11.034
  100   1HG2  THR  15          1HG2      THR  15   0.881 -14.772   9.408
  101   2HG2  THR  15          2HG2      THR  15   1.788 -15.980  10.334
  102   3HG2  THR  15          3HG2      THR  15   2.435 -15.371   8.810
  103    H    VAL  16           H        VAL  16   1.472 -13.090   7.399
  104    HA   VAL  16           HA       VAL  16  -1.268 -12.484   8.267
  105    HB   VAL  16           HB       VAL  16  -1.688 -11.473   6.081
  106   1HG1  VAL  16          1HG1      VAL  16  -1.001 -10.065   7.939
  107   2HG1  VAL  16          2HG1      VAL  16  -0.299  -9.450   6.443
  108   3HG1  VAL  16          3HG1      VAL  16   0.696 -10.366   7.575
  109   1HG2  VAL  16          1HG2      VAL  16  -0.126 -12.625   4.684
  110   2HG2  VAL  16          2HG2      VAL  16   1.246 -11.994   5.599
  111   3HG2  VAL  16          3HG2      VAL  16   0.249 -10.903   4.629
  112    H    ALA  17           H        ALA  17  -2.953 -13.594   7.218
  113    HA   ALA  17           HA       ALA  17  -2.146 -16.040   5.819
  114   1HB   ALA  17          1HB       ALA  17  -3.509 -16.443   7.769
  115   2HB   ALA  17          2HB       ALA  17  -4.471 -16.785   6.328
  116   3HB   ALA  17          3HB       ALA  17  -4.709 -15.276   7.213
  117    H    VAL  18           H        VAL  18  -2.992 -16.478   3.768
  118    HA   VAL  18           HA       VAL  18  -4.449 -14.229   2.537
  119    HB   VAL  18           HB       VAL  18  -3.311 -14.632   0.443
  120   1HG1  VAL  18          1HG1      VAL  18  -0.928 -14.118   1.209
  121   2HG1  VAL  18          2HG1      VAL  18  -1.583 -14.180   2.854
  122   3HG1  VAL  18          3HG1      VAL  18  -2.214 -13.010   1.695
  123   1HG2  VAL  18          1HG2      VAL  18  -1.432 -16.193   0.281
  124   2HG2  VAL  18          2HG2      VAL  18  -2.954 -17.020   0.612
  125   3HG2  VAL  18          3HG2      VAL  18  -1.784 -16.775   1.908
  126    H    GLY  19           H        GLY  19  -5.230 -15.069   0.223
  127   1HA   GLY  19          2HA       GLY  19  -6.153 -17.220  -0.746
  128   2HA   GLY  19          1HA       GLY  19  -6.930 -17.402   0.825
  129    H    GLU  20           H        GLU  20  -8.143 -15.283   1.483
  130    HA   GLU  20           HA       GLU  20 -10.103 -14.691  -0.490
  131   1HB   GLU  20          2HB       GLU  20  -9.487 -13.223   2.084
  132   2HB   GLU  20          1HB       GLU  20 -10.942 -13.031   1.117
  133   1HG   GLU  20          2HG       GLU  20 -11.452 -15.431   1.526
  134   2HG   GLU  20          1HG       GLU  20 -10.082 -15.474   2.638
  135    H    LEU  21           H        LEU  21  -8.097 -12.371   1.237
  136    HA   LEU  21           HA       LEU  21  -6.999 -11.172  -1.097
  137   1HB   LEU  21          2HB       LEU  21  -9.201 -10.260  -1.365
  138   2HB   LEU  21          1HB       LEU  21  -9.293  -9.839   0.332
  139    HG   LEU  21           HG       LEU  21  -7.508  -8.148  -0.024
  140   1HD1  LEU  21          1HD1      LEU  21  -7.885  -8.809  -2.940
  141   2HD1  LEU  21          2HD1      LEU  21  -6.458  -9.194  -1.977
  142   3HD1  LEU  21          3HD1      LEU  21  -6.890  -7.512  -2.278
  143   1HD2  LEU  21          1HD2      LEU  21  -9.862  -7.516  -0.073
  144   2HD2  LEU  21          2HD2      LEU  21  -9.928  -7.864  -1.800
  145   3HD2  LEU  21          3HD2      LEU  21  -8.919  -6.546  -1.203
  146    H    VAL  22           H        VAL  22  -5.175 -10.104  -0.526
  147    HA   VAL  22           HA       VAL  22  -5.000  -9.177   2.258
  148    HB   VAL  22           HB       VAL  22  -2.972 -10.672   0.635
  149   1HG1  VAL  22          1HG1      VAL  22  -1.176  -9.799   2.175
  150   2HG1  VAL  22          2HG1      VAL  22  -2.282  -8.494   2.611
  151   3HG1  VAL  22          3HG1      VAL  22  -1.724  -8.654   0.949
  152   1HG2  VAL  22          1HG2      VAL  22  -4.215 -11.749   2.407
  153   2HG2  VAL  22          2HG2      VAL  22  -3.688 -10.517   3.553
  154   3HG2  VAL  22          3HG2      VAL  22  -2.510 -11.626   2.844
  155    H    GLU  23           H        GLU  23  -5.137  -7.029   2.318
  156    HA   GLU  23           HA       GLU  23  -4.177  -5.612  -0.074
  157   1HB   GLU  23          2HB       GLU  23  -5.893  -4.101   0.010
  158   2HB   GLU  23          1HB       GLU  23  -6.695  -5.567   0.553
  159   1HG   GLU  23          2HG       GLU  23  -6.678  -4.845   2.807
  160   2HG   GLU  23          1HG       GLU  23  -5.590  -3.508   2.438
  161    H    ILE  24           H        ILE  24  -3.428  -3.498   0.166
  162    HA   ILE  24           HA       ILE  24  -2.293  -2.795   2.782
  163    HB   ILE  24           HB       ILE  24  -0.863  -2.579   0.128
  164   1HG1  ILE  24          2HG1      ILE  24  -1.061  -4.935   0.905
  165   2HG1  ILE  24          1HG1      ILE  24   0.605  -4.370   0.841
  166   1HG2  ILE  24          1HG2      ILE  24   0.096  -2.046   2.927
  167   2HG2  ILE  24          2HG2      ILE  24  -0.261  -0.833   1.697
  168   3HG2  ILE  24          3HG2      ILE  24   1.081  -1.955   1.466
  169   1HD1  ILE  24          1HD1      ILE  24   0.168  -5.703   2.833
  170   2HD1  ILE  24          2HD1      ILE  24  -1.093  -4.569   3.325
  171   3HD1  ILE  24          3HD1      ILE  24   0.589  -4.043   3.254
  172    H    GLN  25           H        GLN  25  -3.472  -0.959   3.219
  173    HA   GLN  25           HA       GLN  25  -4.005   0.825   0.946
  174   1HB   GLN  25          2HB       GLN  25  -6.034   0.005   1.876
  175   2HB   GLN  25          1HB       GLN  25  -5.521   0.377   3.519
  176   1HG   GLN  25          2HG       GLN  25  -5.611   2.649   1.672
  177   2HG   GLN  25          1HG       GLN  25  -7.168   1.898   2.003
  178   1HE2  GLN  25          1HE2      GLN  25  -4.471   2.177   4.305
  179   2HE2  GLN  25          2HE2      GLN  25  -5.308   3.226   5.398
  180    H    LEU  26           H        LEU  26  -3.466   2.896   0.992
  181    HA   LEU  26           HA       LEU  26  -2.314   3.963   3.471
  182   1HB   LEU  26          2HB       LEU  26  -1.569   4.372   0.604
  183   2HB   LEU  26          1HB       LEU  26  -1.331   5.688   1.733
  184    HG   LEU  26           HG       LEU  26   0.727   4.508   1.477
  185   1HD1  LEU  26          1HD1      LEU  26  -0.560   3.905   4.123
  186   2HD1  LEU  26          2HD1      LEU  26   0.339   5.357   3.676
  187   3HD1  LEU  26          3HD1      LEU  26   1.170   3.804   3.798
  188   1HD2  LEU  26          1HD2      LEU  26  -0.083   2.371   0.692
  189   2HD2  LEU  26          2HD2      LEU  26  -0.788   2.028   2.271
  190   3HD2  LEU  26          3HD2      LEU  26   0.962   2.136   2.092
  191    HA   PRO  27           HA       PRO  27  -5.663   6.863   3.222
  192   1HB   PRO  27          2HB       PRO  27  -4.899   8.631   5.037
  193   2HB   PRO  27          1HB       PRO  27  -5.260   6.963   5.519
  194   1HG   PRO  27          2HG       PRO  27  -2.577   8.244   4.998
  195   2HG   PRO  27          1HG       PRO  27  -3.088   7.193   6.346
  196   1HD   PRO  27          2HD       PRO  27  -1.725   6.294   4.155
  197   2HD   PRO  27          1HD       PRO  27  -2.809   5.278   5.127
  198    H    SER  28           H        SER  28  -2.879   7.266   1.739
  199    HA   SER  28           HA       SER  28  -1.928   8.742   0.346
  200   1HB   SER  28          2HB       SER  28  -4.298   9.200  -0.400
  201   2HB   SER  28          1HB       SER  28  -4.326  10.528   0.769
  202    HG   SER  28           HG       SER  28  -2.588  10.239  -1.465
  203    H    ASN  29           H        ASN  29  -3.430  10.276   3.114
  204    HA   ASN  29           HA       ASN  29  -2.782  11.962   4.514
  205   1HB   ASN  29          2HB       ASN  29   0.094  11.601   3.788
  206   2HB   ASN  29          1HB       ASN  29  -0.624  11.917   5.354
  207   1HD2  ASN  29          1HD2      ASN  29   0.453   9.570   3.148
  208   2HD2  ASN  29          2HD2      ASN  29   0.167   8.179   4.131
  209    HA   PRO  30           HA       PRO  30  -2.482  14.052   0.318
  210   1HB   PRO  30          2HB       PRO  30  -4.504  15.779   1.684
  211   2HB   PRO  30          1HB       PRO  30  -4.493  15.139   0.033
  212   1HG   PRO  30          2HG       PRO  30  -6.052  13.996   1.812
  213   2HG   PRO  30          1HG       PRO  30  -5.064  12.976   0.744
  214   1HD   PRO  30          2HD       PRO  30  -4.562  13.745   3.598
  215   2HD   PRO  30          1HD       PRO  30  -4.437  12.149   2.826
  216    H    THR  31           H        THR  31  -0.494  14.897   0.480
  217    HA   THR  31           HA       THR  31  -0.150  17.325   2.095
  218    HB   THR  31           HB       THR  31   1.491  15.827   2.769
  219    HG1  THR  31           1HG      THR  31   2.311  17.940   1.840
  220   1HG2  THR  31          1HG2      THR  31   1.824  15.058  -0.132
  221   2HG2  THR  31          2HG2      THR  31   1.180  14.061   1.177
  222   3HG2  THR  31          3HG2      THR  31   2.890  14.505   1.161
  223    H    THR  32           H        THR  32   0.170  16.019  -1.158
  224    HA   THR  32           HA       THR  32  -0.185  18.477  -2.438
  225    HB   THR  32           HB       THR  32   2.079  18.984  -1.568
  226    HG1  THR  32           1HG      THR  32   1.773  20.032  -3.452
  227   1HG2  THR  32          1HG2      THR  32   2.979  16.637  -3.236
  228   2HG2  THR  32          2HG2      THR  32   2.968  16.711  -1.473
  229   3HG2  THR  32          3HG2      THR  32   4.034  17.773  -2.394
  230    H    GLY  33           H        GLY  33   1.416  17.877  -4.785
  231   1HA   GLY  33          2HA       GLY  33  -0.228  16.152  -6.198
  232   2HA   GLY  33          1HA       GLY  33   1.418  16.550  -6.661
  233    H    PHE  34           H        PHE  34   2.467  15.350  -4.147
  234    HA   PHE  34           HA       PHE  34   3.200  12.834  -4.665
  235   1HB   PHE  34          2HB       PHE  34   2.338  14.001  -2.027
  236   2HB   PHE  34          1HB       PHE  34   3.029  12.392  -2.159
  237    HD1  PHE  34           1HD      PHE  34   4.359  14.147  -0.407
  238    HD2  PHE  34           2HD      PHE  34   4.672  13.913  -4.640
  239    HE1  PHE  34           1HE      PHE  34   6.598  15.141  -0.290
  240    HE2  PHE  34           2HE      PHE  34   6.917  14.903  -4.533
  241    HZ   PHE  34           HZ       PHE  34   7.912  15.445  -2.306
  242    H    ALA  35           H        ALA  35   2.413  10.859  -4.754
  243    HA   ALA  35           HA       ALA  35  -0.069  10.195  -3.397
  244   1HB   ALA  35          1HB       ALA  35  -0.999   9.079  -5.374
  245   2HB   ALA  35          2HB       ALA  35   0.387   9.593  -6.337
  246   3HB   ALA  35          3HB       ALA  35  -0.743  10.793  -5.707
  247    H    TRP  36           H        TRP  36  -0.269   7.842  -3.107
  248    HA   TRP  36           HA       TRP  36   2.365   6.663  -2.784
  249   1HB   TRP  36          2HB       TRP  36  -0.354   5.632  -1.961
  250   2HB   TRP  36          1HB       TRP  36   1.172   4.819  -1.634
  251    HD1  TRP  36           HD       TRP  36  -0.955   7.768  -0.437
  252    HE1  TRP  36           1HE      TRP  36  -0.030   8.540   1.816
  253    HE3  TRP  36           3HE      TRP  36   3.339   5.002  -0.340
  254    HZ2  TRP  36           2HZ      TRP  36   2.210   8.040   3.451
  255    HZ3  TRP  36           3HZ      TRP  36   4.835   5.209   1.602
  256    HH2  TRP  36           HH       TRP  36   4.279   6.703   3.464
  257    H    TYR  37           H        TYR  37   3.272   5.359  -4.170
  258    HA   TYR  37           HA       TYR  37   1.803   3.250  -5.436
  259   1HB   TYR  37          2HB       TYR  37   2.819   3.923  -7.737
  260   2HB   TYR  37          1HB       TYR  37   1.328   4.680  -7.197
  261    HD1  TYR  37           1HD      TYR  37   4.783   5.464  -6.113
  262    HD2  TYR  37           2HD      TYR  37   1.391   6.782  -8.302
  263    HE1  TYR  37           1HE      TYR  37   5.842   7.635  -6.452
  264    HE2  TYR  37           2HE      TYR  37   2.454   8.955  -8.649
  265    HH   TYR  37           HH       TYR  37   5.726   9.464  -8.100
  266    H    PHE  38           H        PHE  38   3.169   1.529  -6.122
  267    HA   PHE  38           HA       PHE  38   5.297   1.017  -4.460
  268   1HB   PHE  38          2HB       PHE  38   4.220  -0.236  -6.845
  269   2HB   PHE  38          1HB       PHE  38   5.968  -0.404  -6.723
  270    HD1  PHE  38           1HD      PHE  38   2.775  -1.511  -5.508
  271    HD2  PHE  38           2HD      PHE  38   6.947  -1.486  -4.693
  272    HE1  PHE  38           1HE      PHE  38   2.467  -3.362  -3.921
  273    HE2  PHE  38           2HE      PHE  38   6.651  -3.343  -3.104
  274    HZ   PHE  38           HZ       PHE  38   4.451  -4.326  -2.760
  275    H    GLU  39           H        GLU  39   5.916   1.279  -7.951
  276    HA   GLU  39           HA       GLU  39   8.509   2.450  -7.287
  277   1HB   GLU  39          2HB       GLU  39   7.514   1.476  -9.965
  278   2HB   GLU  39          1HB       GLU  39   9.162   1.931  -9.568
  279   1HG   GLU  39          2HG       GLU  39   9.282   0.042  -8.004
  280   2HG   GLU  39          1HG       GLU  39   7.648  -0.430  -8.482
  281    H    GLY  40           H        GLY  40   5.452   3.281  -8.402
  282   1HA   GLY  40          2HA       GLY  40   4.946   5.670  -8.646
  283   2HA   GLY  40          1HA       GLY  40   6.490   5.838  -9.476
  284    H    GLY  41           H        GLY  41   3.217   4.667  -9.711
  285   1HA   GLY  41          2HA       GLY  41   1.930   4.652 -11.670
  286   2HA   GLY  41          1HA       GLY  41   3.402   4.786 -12.619
  287    H    THR  42           H        THR  42   4.361   2.562 -10.648
  288    HA   THR  42           HA       THR  42   3.055   0.299 -11.990
  289    HB   THR  42           HB       THR  42   5.988   0.380 -11.306
  290    HG1  THR  42           1HG      THR  42   4.648   1.119 -13.705
  291   1HG2  THR  42          1HG2      THR  42   6.119  -1.485 -12.904
  292   2HG2  THR  42          2HG2      THR  42   4.372  -1.403 -13.128
  293   3HG2  THR  42          3HG2      THR  42   5.038  -1.847 -11.558
  294    H    LYS  43           H        LYS  43   2.666  -1.470 -10.723
  295    HA   LYS  43           HA       LYS  43   3.652  -1.473  -7.974
  296   1HB   LYS  43          2HB       LYS  43   1.600  -1.366  -6.946
  297   2HB   LYS  43          1HB       LYS  43   1.286  -0.334  -8.318
  298   1HG   LYS  43          2HG       LYS  43   0.540  -3.246  -8.214
  299   2HG   LYS  43          1HG       LYS  43  -0.549  -1.918  -7.822
  300   1HD   LYS  43          2HD       LYS  43  -0.360  -1.048 -10.071
  301   2HD   LYS  43          1HD       LYS  43   0.843  -2.273 -10.477
  302   1HE   LYS  43          2HE       LYS  43  -0.872  -4.017 -10.015
  303   2HE   LYS  43          1HE       LYS  43  -2.057  -2.731  -9.790
  304   1HZ   LYS  43          1HZ       LYS  43  -1.508  -1.991 -12.090
  305   2HZ   LYS  43          2HZ       LYS  43  -2.256  -3.510 -12.000
  306   3HZ   LYS  43          3HZ       LYS  43  -0.585  -3.406 -12.272
  307    H    GLU  44           H        GLU  44   3.867  -3.554  -7.104
  308    HA   GLU  44           HA       GLU  44   3.008  -5.798  -8.775
  309   1HB   GLU  44          2HB       GLU  44   5.254  -6.800  -8.710
  310   2HB   GLU  44          1HB       GLU  44   5.254  -5.258  -9.553
  311   1HG   GLU  44          2HG       GLU  44   6.193  -4.154  -7.623
  312   2HG   GLU  44          1HG       GLU  44   6.101  -5.648  -6.693
  313    H    SER  45           H        SER  45   3.133  -7.873  -7.729
  314    HA   SER  45           HA       SER  45   3.417  -7.742  -4.785
  315   1HB   SER  45          2HB       SER  45   1.151  -8.433  -5.647
  316   2HB   SER  45          1HB       SER  45   1.917  -9.835  -6.390
  317    HG   SER  45           HG       SER  45   1.312 -10.608  -4.479
  318    HA   PRO  46           HA       PRO  46   7.063 -10.172  -5.529
  319   1HB   PRO  46          2HB       PRO  46   6.948 -10.862  -2.680
  320   2HB   PRO  46          1HB       PRO  46   8.159  -9.921  -3.554
  321   1HG   PRO  46          2HG       PRO  46   6.445  -8.782  -1.808
  322   2HG   PRO  46          1HG       PRO  46   7.031  -7.936  -3.252
  323   1HD   PRO  46          2HD       PRO  46   4.402  -9.303  -2.791
  324   2HD   PRO  46          1HD       PRO  46   4.739  -7.761  -3.608
  325    H    ASN  47           H        ASN  47   4.054 -11.322  -4.691
  326    HA   ASN  47           HA       ASN  47   4.957 -14.130  -4.634
  327   1HB   ASN  47          2HB       ASN  47   2.470 -12.965  -3.356
  328   2HB   ASN  47          1HB       ASN  47   2.982 -14.648  -3.281
  329   1HD2  ASN  47          1HD2      ASN  47   4.664 -15.224  -1.933
  330   2HD2  ASN  47          2HD2      ASN  47   5.276 -14.159  -0.719
  331    H    GLU  48           H        GLU  48   3.717 -12.008  -6.729
  332    HA   GLU  48           HA       GLU  48   1.301 -13.440  -7.411
  333   1HB   GLU  48          2HB       GLU  48   0.826 -11.680  -8.962
  334   2HB   GLU  48          1HB       GLU  48   1.357 -10.978  -7.442
  335   1HG   GLU  48          2HG       GLU  48   3.457 -10.379  -8.360
  336   2HG   GLU  48          1HG       GLU  48   3.149 -11.310  -9.829
  337    H    SER  49           H        SER  49   1.679 -15.349  -8.275
  338    HA   SER  49           HA       SER  49   3.182 -15.421 -10.807
  339   1HB   SER  49          2HB       SER  49   4.435 -16.567  -9.014
  340   2HB   SER  49          1HB       SER  49   3.045 -17.606  -8.711
  341    HG   SER  49           HG       SER  49   3.324 -18.107 -11.101
  342    H    MET  50           H        MET  50   0.239 -15.395  -9.646
  343    HA   MET  50           HA       MET  50  -1.016 -16.707 -11.804
  344   1HB   MET  50          2HB       MET  50  -2.211 -18.469 -10.614
  345   2HB   MET  50          1HB       MET  50  -0.481 -18.735 -10.601
  346   1HG   MET  50          2HG       MET  50  -0.389 -17.871  -8.287
  347   2HG   MET  50          1HG       MET  50  -2.149 -17.693  -8.307
  348   1HE   MET  50          1HE       MET  50  -2.383 -19.150  -6.145
  349   2HE   MET  50          2HE       MET  50  -0.630 -19.327  -6.065
  350   3HE   MET  50          3HE       MET  50  -1.666 -20.750  -5.940
  351    H    PHE  51           H        PHE  51  -1.160 -15.588  -8.551
  352    HA   PHE  51           HA       PHE  51  -3.680 -14.187  -9.044
  353   1HB   PHE  51          2HB       PHE  51  -2.309 -15.330  -6.679
  354   2HB   PHE  51          1HB       PHE  51  -3.133 -13.800  -6.405
  355    HD1  PHE  51           1HD      PHE  51  -3.792 -17.029  -8.170
  356    HD2  PHE  51           2HD      PHE  51  -5.287 -13.963  -5.621
  357    HE1  PHE  51           1HE      PHE  51  -5.917 -18.250  -7.949
  358    HE2  PHE  51           2HE      PHE  51  -7.415 -15.181  -5.401
  359    HZ   PHE  51           HZ       PHE  51  -7.764 -17.273  -6.589
  360    H    THR  52           H        THR  52  -3.554 -11.827  -7.896
  361    HA   THR  52           HA       THR  52  -1.047 -10.547  -8.503
  362    HB   THR  52           HB       THR  52  -1.960 -11.167 -10.775
  363    HG1  THR  52           1HG      THR  52  -0.443  -9.501 -10.638
  364   1HG2  THR  52          1HG2      THR  52  -3.742  -9.738 -11.690
  365   2HG2  THR  52          2HG2      THR  52  -3.992  -9.039 -10.090
  366   3HG2  THR  52          3HG2      THR  52  -4.325 -10.748 -10.366
  367    H    VAL  53           H        VAL  53  -1.415  -8.088  -8.801
  368    HA   VAL  53           HA       VAL  53  -2.972  -7.251  -6.460
  369    HB   VAL  53           HB       VAL  53  -0.878  -5.683  -7.971
  370   1HG1  VAL  53          1HG1      VAL  53  -0.695  -4.413  -5.873
  371   2HG1  VAL  53          2HG1      VAL  53  -2.019  -5.364  -5.200
  372   3HG1  VAL  53          3HG1      VAL  53  -2.305  -4.311  -6.586
  373   1HG2  VAL  53          1HG2      VAL  53   0.120  -7.741  -7.183
  374   2HG2  VAL  53          2HG2      VAL  53  -0.497  -7.435  -5.559
  375   3HG2  VAL  53          3HG2      VAL  53   0.714  -6.362  -6.259
  376    H    GLU  54           H        GLU  54  -4.666  -5.931  -6.644
  377    HA   GLU  54           HA       GLU  54  -4.996  -4.365  -9.114
  378   1HB   GLU  54          2HB       GLU  54  -7.403  -4.145  -8.357
  379   2HB   GLU  54          1HB       GLU  54  -6.910  -5.757  -8.858
  380   1HG   GLU  54          2HG       GLU  54  -7.398  -6.620  -6.874
  381   2HG   GLU  54          1HG       GLU  54  -6.516  -5.354  -6.023
  382    H    ASN  55           H        ASN  55  -4.734  -2.222  -8.946
  383    HA   ASN  55           HA       ASN  55  -4.422  -1.127  -6.240
  384   1HB   ASN  55          2HB       ASN  55  -3.082   0.624  -7.217
  385   2HB   ASN  55          1HB       ASN  55  -2.451  -0.947  -7.701
  386   1HD2  ASN  55          1HD2      ASN  55  -2.048   1.618  -8.960
  387   2HD2  ASN  55          2HD2      ASN  55  -2.647   1.475 -10.579
  388    H    LYS  56           H        LYS  56  -5.276   0.937  -5.729
  389    HA   LYS  56           HA       LYS  56  -7.005   2.322  -7.530
  390   1HB   LYS  56          2HB       LYS  56  -9.121   1.984  -6.421
  391   2HB   LYS  56          1HB       LYS  56  -8.473   0.420  -6.880
  392   1HG   LYS  56          2HG       LYS  56  -8.265   1.555  -4.105
  393   2HG   LYS  56          1HG       LYS  56  -9.561   0.487  -4.644
  394   1HD   LYS  56          2HD       LYS  56  -6.626  -0.174  -4.701
  395   2HD   LYS  56          1HD       LYS  56  -7.744  -0.705  -3.446
  396   1HE   LYS  56          2HE       LYS  56  -7.578  -1.515  -6.330
  397   2HE   LYS  56          1HE       LYS  56  -7.602  -2.521  -4.885
  398   1HZ   LYS  56          1HZ       LYS  56  -9.962  -1.820  -4.576
  399   2HZ   LYS  56          2HZ       LYS  56  -9.683  -2.743  -5.975
  400   3HZ   LYS  56          3HZ       LYS  56  -9.893  -1.066  -6.098
  401    H    TYR  57           H        TYR  57  -6.487   4.340  -7.066
  402    HA   TYR  57           HA       TYR  57  -5.909   4.994  -4.255
  403   1HB   TYR  57          2HB       TYR  57  -4.995   6.687  -6.508
  404   2HB   TYR  57          1HB       TYR  57  -4.310   6.521  -4.908
  405    HD1  TYR  57           1HD      TYR  57  -3.493   6.025  -8.157
  406    HD2  TYR  57           2HD      TYR  57  -3.726   3.811  -4.531
  407    HE1  TYR  57           1HE      TYR  57  -1.832   4.435  -9.019
  408    HE2  TYR  57           2HE      TYR  57  -2.062   2.222  -5.387
  409    HH   TYR  57           HH       TYR  57  -1.201   1.447  -7.535
  410    H    PHE  58           H        PHE  58  -7.460   6.167  -3.301
  411    HA   PHE  58           HA       PHE  58  -8.995   8.007  -5.000
  412   1HB   PHE  58          2HB       PHE  58  -9.688   6.809  -2.319
  413   2HB   PHE  58          1HB       PHE  58 -10.683   7.977  -3.178
  414    HD1  PHE  58           1HD      PHE  58  -9.416   4.530  -3.188
  415    HD2  PHE  58           2HD      PHE  58 -12.046   7.325  -5.033
  416    HE1  PHE  58           1HE      PHE  58 -10.526   2.690  -4.382
  417    HE2  PHE  58           2HE      PHE  58 -13.156   5.485  -6.234
  418    HZ   PHE  58           HZ       PHE  58 -12.412   3.185  -5.920
  419    HA   PRO  59           HA       PRO  59  -6.780  11.117  -2.551
  420   1HB   PRO  59          2HB       PRO  59  -6.979  12.737  -4.947
  421   2HB   PRO  59          1HB       PRO  59  -5.527  12.103  -4.170
  422   1HG   PRO  59          2HG       PRO  59  -6.380  11.247  -6.598
  423   2HG   PRO  59          1HG       PRO  59  -5.497  10.207  -5.457
  424   1HD   PRO  59          2HD       PRO  59  -8.463  10.377  -5.947
  425   2HD   PRO  59          1HD       PRO  59  -7.428   8.936  -5.814
  426    HA   PRO  60           HA       PRO  60 -10.694  13.165  -1.995
  427   1HB   PRO  60          2HB       PRO  60 -10.159  14.230   0.407
  428   2HB   PRO  60          1HB       PRO  60 -10.403  12.496   0.186
  429   1HG   PRO  60          2HG       PRO  60  -7.916  13.997   0.706
  430   2HG   PRO  60          1HG       PRO  60  -8.308  12.309   1.063
  431   1HD   PRO  60          2HD       PRO  60  -6.800  13.341  -1.138
  432   2HD   PRO  60          1HD       PRO  60  -7.235  11.649  -0.814
  433    H    ASP  61           H        ASP  61  -7.695  14.703  -2.474
  434    HA   ASP  61           HA       ASP  61  -8.725  17.158  -3.328
  435   1HB   ASP  61          2HB       ASP  61  -9.318  17.515  -0.994
  436   2HB   ASP  61          1HB       ASP  61  -7.667  17.160  -0.494
  437    H    SER  62           H        SER  62  -5.979  16.172  -1.327
  438    HA   SER  62           HA       SER  62  -3.835  15.698  -1.813
  439   1HB   SER  62          2HB       SER  62  -4.609  16.171  -4.690
  440   2HB   SER  62          1HB       SER  62  -3.076  15.489  -4.142
  441    HG   SER  62           HG       SER  62  -4.022  13.644  -3.779
  442    H    LYS  63           H        LYS  63  -5.039  18.651  -1.744
  443    HA   LYS  63           HA       LYS  63  -2.292  19.590  -1.576
  444   1HB   LYS  63          2HB       LYS  63  -2.637  21.667  -2.696
  445   2HB   LYS  63          1HB       LYS  63  -3.154  20.394  -3.783
  446   1HG   LYS  63          2HG       LYS  63  -5.059  21.997  -2.096
  447   2HG   LYS  63          1HG       LYS  63  -4.581  22.455  -3.730
  448   1HD   LYS  63          2HD       LYS  63  -5.411  20.226  -4.503
  449   2HD   LYS  63          1HD       LYS  63  -6.052  19.968  -2.873
  450   1HE   LYS  63          2HE       LYS  63  -7.329  22.106  -3.141
  451   2HE   LYS  63          1HE       LYS  63  -6.811  22.138  -4.827
  452   1HZ   LYS  63          1HZ       LYS  63  -8.472  20.059  -3.513
  453   2HZ   LYS  63          2HZ       LYS  63  -7.891  19.950  -5.101
  454   3HZ   LYS  63          3HZ       LYS  63  -8.982  21.179  -4.679
  455    H    LEU  64           H        LEU  64  -4.515  18.702   0.087
  456    HA   LEU  64           HA       LEU  64  -4.132  20.332   2.312
  457   1HB   LEU  64          2HB       LEU  64  -5.655  21.821   0.928
  458   2HB   LEU  64          1HB       LEU  64  -6.896  20.598   1.136
  459    HG   LEU  64           HG       LEU  64  -6.828  20.936   3.568
  460   1HD1  LEU  64          1HD1      LEU  64  -4.492  21.615   3.773
  461   2HD1  LEU  64          2HD1      LEU  64  -5.567  22.797   4.517
  462   3HD1  LEU  64          3HD1      LEU  64  -4.852  23.125   2.939
  463   1HD2  LEU  64          1HD2      LEU  64  -7.825  23.178   3.597
  464   2HD2  LEU  64          2HD2      LEU  64  -8.410  22.220   2.239
  465   3HD2  LEU  64          3HD2      LEU  64  -7.196  23.473   1.977
  466    H    LEU  65           H        LEU  65  -7.281  19.050   1.448
  467    HA   LEU  65           HA       LEU  65  -7.068  16.361   1.884
  468   1HB   LEU  65          2HB       LEU  65  -6.501  17.563   4.308
  469   2HB   LEU  65          1HB       LEU  65  -8.213  17.213   4.450
  470    HG   LEU  65           HG       LEU  65  -6.010  15.206   3.918
  471   1HD1  LEU  65          1HD1      LEU  65  -6.114  16.023   6.217
  472   2HD1  LEU  65          2HD1      LEU  65  -6.617  14.336   6.103
  473   3HD1  LEU  65          3HD1      LEU  65  -7.827  15.604   6.289
  474   1HD2  LEU  65          1HD2      LEU  65  -7.741  13.499   4.095
  475   2HD2  LEU  65          2HD2      LEU  65  -8.043  14.570   2.727
  476   3HD2  LEU  65          3HD2      LEU  65  -8.980  14.751   4.211
  477    H    GLY  66           H        GLY  66  -8.964  15.497   1.313
  478   1HA   GLY  66          2HA       GLY  66 -11.258  17.253   0.988
  479   2HA   GLY  66          1HA       GLY  66 -11.089  15.627   0.354
  480    H    ALA  67           H        ALA  67 -10.613  14.089   2.445
  481    HA   ALA  67           HA       ALA  67 -12.169  14.587   4.761
  482   1HB   ALA  67          1HB       ALA  67 -13.997  13.056   4.393
  483   2HB   ALA  67          2HB       ALA  67 -13.395  12.666   2.783
  484   3HB   ALA  67          3HB       ALA  67 -14.012  14.284   3.126
  485    H    GLY  68           H        GLY  68 -11.712  11.741   2.702
  486   1HA   GLY  68          2HA       GLY  68  -9.817  10.669   4.673
  487   2HA   GLY  68          1HA       GLY  68 -11.210   9.702   4.200
  488    H    GLY  69           H        GLY  69  -8.103  10.907   3.277
  489   1HA   GLY  69          2HA       GLY  69  -8.109  10.102   0.563
  490   2HA   GLY  69          1HA       GLY  69  -6.678  10.282   1.576
  491    H    THR  70           H        THR  70  -7.617   8.146  -0.396
  492    HA   THR  70           HA       THR  70  -6.963   5.898   1.291
  493    HB   THR  70           HB       THR  70  -9.081   4.733   0.150
  494    HG1  THR  70           1HG      THR  70  -9.913   7.411   0.675
  495   1HG2  THR  70          1HG2      THR  70  -9.244   6.393   2.671
  496   2HG2  THR  70          2HG2      THR  70  -8.443   4.825   2.561
  497   3HG2  THR  70          3HG2      THR  70 -10.187   4.951   2.293
  498    H    GLU  71           H        GLU  71  -5.180   5.734   0.011
  499    HA   GLU  71           HA       GLU  71  -5.608   4.870  -2.767
  500   1HB   GLU  71          2HB       GLU  71  -3.021   5.658  -1.403
  501   2HB   GLU  71          1HB       GLU  71  -3.239   5.319  -3.117
  502   1HG   GLU  71          2HG       GLU  71  -4.797   7.251  -3.235
  503   2HG   GLU  71          1HG       GLU  71  -4.382   7.626  -1.563
  504    H    HIS  72           H        HIS  72  -5.859   2.726  -2.873
  505    HA   HIS  72           HA       HIS  72  -4.641   1.100  -0.738
  506   1HB   HIS  72          2HB       HIS  72  -6.911   0.376  -2.574
  507   2HB   HIS  72          1HB       HIS  72  -6.299  -0.594  -1.251
  508    HD1  HIS  72           1HD      HIS  72  -8.065  -0.675   0.426
  509    HD2  HIS  72           2HD      HIS  72  -7.627   3.142  -1.148
  510    HE1  HIS  72           1HE      HIS  72  -9.907   0.679   1.412
  511    HE2  HIS  72           2HE      HIS  72  -9.774   2.913   0.285
  512    H    PHE  73           H        PHE  73  -3.578  -0.737  -1.171
  513    HA   PHE  73           HA       PHE  73  -3.177  -1.526  -3.978
  514   1HB   PHE  73          2HB       PHE  73  -1.309  -1.502  -1.614
  515   2HB   PHE  73          1HB       PHE  73  -0.997  -2.537  -3.007
  516    HD1  PHE  73           1HD      PHE  73   0.158  -1.691  -4.817
  517    HD2  PHE  73           2HD      PHE  73  -1.666   0.999  -2.073
  518    HE1  PHE  73           1HE      PHE  73   1.209   0.206  -5.985
  519    HE2  PHE  73           2HE      PHE  73  -0.607   2.900  -3.222
  520    HZ   PHE  73           HZ       PHE  73   0.832   2.522  -5.151
  521    H    HIS  74           H        HIS  74  -4.489  -3.237  -4.265
  522    HA   HIS  74           HA       HIS  74  -4.937  -5.050  -1.982
  523   1HB   HIS  74          2HB       HIS  74  -6.510  -4.423  -4.479
  524   2HB   HIS  74          1HB       HIS  74  -6.824  -5.878  -3.552
  525    HD1  HIS  74           1HD      HIS  74  -9.226  -4.977  -3.181
  526    HD2  HIS  74           2HD      HIS  74  -6.237  -2.643  -1.463
  527    HE1  HIS  74           1HE      HIS  74 -10.393  -3.474  -1.541
  528    HE2  HIS  74           2HE      HIS  74  -8.522  -2.344  -0.298
  529    H    VAL  75           H        VAL  75  -3.515  -6.710  -2.045
  530    HA   VAL  75           HA       VAL  75  -2.930  -7.801  -4.695
  531    HB   VAL  75           HB       VAL  75  -0.893  -8.669  -3.938
  532   1HG1  VAL  75          1HG1      VAL  75  -0.859  -6.229  -4.123
  533   2HG1  VAL  75          2HG1      VAL  75   0.313  -6.825  -2.948
  534   3HG1  VAL  75          3HG1      VAL  75  -1.199  -6.101  -2.398
  535   1HG2  VAL  75          1HG2      VAL  75  -0.200  -8.750  -1.566
  536   2HG2  VAL  75          2HG2      VAL  75  -1.583  -9.784  -1.947
  537   3HG2  VAL  75          3HG2      VAL  75  -1.838  -8.243  -1.120
  538    H    THR  76           H        THR  76  -4.041  -9.453  -5.242
  539    HA   THR  76           HA       THR  76  -5.231 -11.157  -3.177
  540    HB   THR  76           HB       THR  76  -5.885 -11.177  -6.134
  541    HG1  THR  76           1HG      THR  76  -6.247  -9.123  -4.604
  542   1HG2  THR  76          1HG2      THR  76  -8.038 -12.081  -5.345
  543   2HG2  THR  76          2HG2      THR  76  -7.438 -12.027  -3.686
  544   3HG2  THR  76          3HG2      THR  76  -6.677 -13.097  -4.866
  545    H    VAL  77           H        VAL  77  -3.852 -12.755  -2.722
  546    HA   VAL  77           HA       VAL  77  -2.845 -14.449  -4.847
  547    HB   VAL  77           HB       VAL  77  -1.093 -12.783  -4.797
  548   1HG1  VAL  77          1HG1      VAL  77   0.171 -12.267  -2.763
  549   2HG1  VAL  77          2HG1      VAL  77  -0.925 -13.285  -1.827
  550   3HG1  VAL  77          3HG1      VAL  77  -1.528 -11.821  -2.608
  551   1HG2  VAL  77          1HG2      VAL  77  -0.197 -15.250  -3.302
  552   2HG2  VAL  77          2HG2      VAL  77   0.846 -14.150  -4.205
  553   3HG2  VAL  77          3HG2      VAL  77  -0.371 -15.105  -5.053
  554    H    LYS  78           H        LYS  78  -2.317 -16.507  -4.150
  555    HA   LYS  78           HA       LYS  78  -2.072 -16.898  -1.273
  556   1HB   LYS  78          2HB       LYS  78  -3.129 -19.093  -1.421
  557   2HB   LYS  78          1HB       LYS  78  -4.222 -17.794  -1.854
  558   1HG   LYS  78          2HG       LYS  78  -2.773 -19.155  -4.052
  559   2HG   LYS  78          1HG       LYS  78  -4.058 -20.052  -3.240
  560   1HD   LYS  78          2HD       LYS  78  -4.290 -17.384  -4.629
  561   2HD   LYS  78          1HD       LYS  78  -4.950 -18.929  -5.167
  562   1HE   LYS  78          2HE       LYS  78  -5.747 -17.463  -2.651
  563   2HE   LYS  78          1HE       LYS  78  -6.687 -17.547  -4.142
  564   1HZ   LYS  78          1HZ       LYS  78  -7.535 -19.145  -2.596
  565   2HZ   LYS  78          2HZ       LYS  78  -5.999 -19.815  -2.347
  566   3HZ   LYS  78          3HZ       LYS  78  -6.763 -19.985  -3.855
  567    H    ALA  79           H        ALA  79   0.074 -17.173  -1.099
  568    HA   ALA  79           HA       ALA  79   1.273 -19.507  -2.193
  569   1HB   ALA  79          1HB       ALA  79   2.296 -16.859  -3.205
  570   2HB   ALA  79          2HB       ALA  79   1.409 -18.043  -4.164
  571   3HB   ALA  79          3HB       ALA  79   3.005 -18.441  -3.529
  572    H    ALA  80           H        ALA  80   2.707 -20.217  -0.773
  573    HA   ALA  80           HA       ALA  80   3.300 -18.833   1.591
  574   1HB   ALA  80          1HB       ALA  80   4.769 -21.170   0.385
  575   2HB   ALA  80          2HB       ALA  80   3.344 -21.266   1.420
  576   3HB   ALA  80          3HB       ALA  80   4.861 -20.637   2.063
  577    H    GLY  81           H        GLY  81   4.261 -16.943   1.461
  578   1HA   GLY  81          2HA       GLY  81   7.053 -16.779   0.811
  579   2HA   GLY  81          1HA       GLY  81   6.023 -15.940  -0.347
  580    H    THR  82           H        THR  82   7.801 -14.456   1.104
  581    HA   THR  82           HA       THR  82   6.108 -13.267   3.181
  582    HB   THR  82           HB       THR  82   8.942 -12.411   2.638
  583    HG1  THR  82           1HG      THR  82   8.675 -14.803   3.010
  584   1HG2  THR  82          1HG2      THR  82   7.164 -12.456   5.080
  585   2HG2  THR  82          2HG2      THR  82   7.612 -11.034   4.136
  586   3HG2  THR  82          3HG2      THR  82   8.841 -11.900   5.060
  587    H    HIS  83           H        HIS  83   5.229 -11.272   2.945
  588    HA   HIS  83           HA       HIS  83   5.501 -10.100   0.267
  589   1HB   HIS  83          2HB       HIS  83   3.185 -10.893   1.274
  590   2HB   HIS  83          1HB       HIS  83   3.284  -9.388   2.170
  591    HD1  HIS  83           1HD      HIS  83   3.563  -7.174   0.675
  592    HD2  HIS  83           2HD      HIS  83   2.215 -10.572  -1.291
  593    HE1  HIS  83           1HE      HIS  83   2.590  -6.335  -1.476
  594    HE2  HIS  83           2HE      HIS  83   1.879  -8.435  -2.714
  595    H    ALA  84           H        ALA  84   7.042  -8.588   0.362
  596    HA   ALA  84           HA       ALA  84   7.049  -6.724   2.623
  597   1HB   ALA  84          1HB       ALA  84   9.285  -6.081   1.860
  598   2HB   ALA  84          2HB       ALA  84   9.134  -7.175   0.484
  599   3HB   ALA  84          3HB       ALA  84   9.185  -7.822   2.124
  600    H    VAL  85           H        VAL  85   5.961  -4.911   2.333
  601    HA   VAL  85           HA       VAL  85   5.372  -4.110  -0.441
  602    HB   VAL  85           HB       VAL  85   3.846  -3.110   1.932
  603   1HG1  VAL  85          1HG1      VAL  85   3.107  -3.675  -0.934
  604   2HG1  VAL  85          2HG1      VAL  85   3.388  -2.091  -0.208
  605   3HG1  VAL  85          3HG1      VAL  85   2.006  -3.063   0.299
  606   1HG2  VAL  85          1HG2      VAL  85   2.319  -5.021   1.754
  607   2HG2  VAL  85          2HG2      VAL  85   3.943  -5.513   2.252
  608   3HG2  VAL  85          3HG2      VAL  85   3.410  -5.772   0.590
  609    H    ASN  86           H        ASN  86   6.871  -2.650  -0.999
  610    HA   ASN  86           HA       ASN  86   7.318  -0.349   0.798
  611   1HB   ASN  86          2HB       ASN  86   8.967  -1.445  -1.502
  612   2HB   ASN  86          1HB       ASN  86   9.285   0.108  -0.748
  613   1HD2  ASN  86          1HD2      ASN  86   8.258  -2.727   1.041
  614   2HD2  ASN  86          2HD2      ASN  86   9.755  -2.969   1.869
  615    H    LEU  87           H        LEU  87   5.824   1.101   0.330
  616    HA   LEU  87           HA       LEU  87   5.120   1.559  -2.490
  617   1HB   LEU  87          2HB       LEU  87   3.578   2.122   0.042
  618   2HB   LEU  87          1HB       LEU  87   3.048   2.577  -1.568
  619    HG   LEU  87           HG       LEU  87   3.532  -0.277  -0.678
  620   1HD1  LEU  87          1HD1      LEU  87   0.948   1.241  -1.038
  621   2HD1  LEU  87          2HD1      LEU  87   1.635   0.716   0.502
  622   3HD1  LEU  87          3HD1      LEU  87   1.103  -0.480  -0.682
  623   1HD2  LEU  87          1HD2      LEU  87   2.444  -0.840  -2.759
  624   2HD2  LEU  87          2HD2      LEU  87   3.863   0.165  -3.066
  625   3HD2  LEU  87          3HD2      LEU  87   2.248   0.869  -3.148
  626    H    THR  88           H        THR  88   5.541   3.511  -3.372
  627    HA   THR  88           HA       THR  88   7.029   5.329  -1.628
  628    HB   THR  88           HB       THR  88   7.140   5.252  -4.642
  629    HG1  THR  88           1HG      THR  88   7.988   3.329  -4.353
  630   1HG2  THR  88          1HG2      THR  88   9.063   6.193  -2.500
  631   2HG2  THR  88          2HG2      THR  88   8.130   7.221  -3.588
  632   3HG2  THR  88          3HG2      THR  88   9.402   6.182  -4.231
  633    H    TYR  89           H        TYR  89   6.437   7.347  -1.340
  634    HA   TYR  89           HA       TYR  89   3.906   8.214  -2.549
  635   1HB   TYR  89          2HB       TYR  89   4.128   7.940  -0.048
  636   2HB   TYR  89          1HB       TYR  89   5.297   9.251  -0.070
  637    HD1  TYR  89           1HD      TYR  89   2.089   8.929  -1.908
  638    HD2  TYR  89           2HD      TYR  89   4.270  10.972   1.108
  639    HE1  TYR  89           1HE      TYR  89   0.244  10.529  -1.671
  640    HE2  TYR  89           2HE      TYR  89   2.433  12.578   1.353
  641    HH   TYR  89           HH       TYR  89  -0.644  12.061   0.024
  642    H    MET  90           H        MET  90   4.679   9.136  -4.454
  643    HA   MET  90           HA       MET  90   6.516  11.437  -4.115
  644   1HB   MET  90          2HB       MET  90   6.534   9.892  -6.677
  645   2HB   MET  90          1HB       MET  90   7.782  10.909  -5.985
  646   1HG   MET  90          2HG       MET  90   8.332   9.196  -4.373
  647   2HG   MET  90          1HG       MET  90   7.032   8.177  -4.992
  648   1HE   MET  90          1HE       MET  90   7.066   6.983  -7.381
  649   2HE   MET  90          2HE       MET  90   8.322   7.270  -8.590
  650   3HE   MET  90          3HE       MET  90   7.211   8.570  -8.147
  651    H    ARG  91           H        ARG  91   6.439  12.790  -6.220
  652    HA   ARG  91           HA       ARG  91   3.659  13.042  -7.069
  653   1HB   ARG  91          2HB       ARG  91   5.753  14.900  -6.651
  654   2HB   ARG  91          1HB       ARG  91   5.556  14.802  -8.398
  655   1HG   ARG  91          2HG       ARG  91   3.167  15.304  -8.152
  656   2HG   ARG  91          1HG       ARG  91   3.402  15.471  -6.413
  657   1HD   ARG  91          2HD       ARG  91   4.770  17.130  -8.526
  658   2HD   ARG  91          1HD       ARG  91   3.373  17.637  -7.583
  659    HE   ARG  91           HE       ARG  91   5.158  17.055  -5.663
  660   1HH1  ARG  91          1HH1      ARG  91   5.380  18.982  -8.579
  661   2HH1  ARG  91          2HH1      ARG  91   6.580  20.056  -7.928
  662   1HH2  ARG  91          1HH2      ARG  91   6.720  18.514  -4.786
  663   2HH2  ARG  91          2HH2      ARG  91   7.326  19.804  -5.791
  664    HA   PRO  92           HA       PRO  92   4.469   9.967 -10.090
  665   1HB   PRO  92          2HB       PRO  92   2.468  10.983 -11.854
  666   2HB   PRO  92          1HB       PRO  92   2.348   9.623 -10.738
  667   1HG   PRO  92          2HG       PRO  92   1.440  12.417 -10.413
  668   2HG   PRO  92          1HG       PRO  92   0.836  10.939  -9.642
  669   1HD   PRO  92          2HD       PRO  92   2.278  12.783  -8.308
  670   2HD   PRO  92          1HD       PRO  92   2.404  11.050  -7.942
  671    H    TRP  93           H        TRP  93   3.882  13.237 -11.416
  672    HA   TRP  93           HA       TRP  93   5.349  12.610 -13.807
  673   1HB   TRP  93          2HB       TRP  93   4.897  15.024 -14.372
  674   2HB   TRP  93          1HB       TRP  93   3.470  14.035 -14.084
  675    HD1  TRP  93           HD       TRP  93   5.378  17.014 -12.702
  676    HE1  TRP  93           1HE      TRP  93   3.962  18.142 -10.867
  677    HE3  TRP  93           3HE      TRP  93   1.687  13.510 -12.277
  678    HZ2  TRP  93           2HZ      TRP  93   1.590  17.604  -9.437
  679    HZ3  TRP  93           3HZ      TRP  93  -0.115  13.887 -10.647
  680    HH2  TRP  93           HH       TRP  93  -0.163  15.896  -9.260
  681    H    THR  94           H        THR  94   6.438  13.292 -10.805
  682    HA   THR  94           HA       THR  94   9.037  13.976 -11.791
  683    HB   THR  94           HB       THR  94   8.377  16.224 -11.736
  684    HG1  THR  94           1HG      THR  94   9.351  16.925  -9.533
  685   1HG2  THR  94          1HG2      THR  94   7.184  17.283  -9.866
  686   2HG2  THR  94          2HG2      THR  94   7.053  15.714  -9.071
  687   3HG2  THR  94          3HG2      THR  94   6.238  15.996 -10.611
  688    H    GLY  95           H        GLY  95   7.632  14.604  -8.584
  689   1HA   GLY  95          2HA       GLY  95   7.839  13.446  -6.585
  690   2HA   GLY  95          1HA       GLY  95   8.547  12.109  -7.499
  691    HA   PRO  96           HA       PRO  96  11.923  15.649  -6.220
  692   1HB   PRO  96          2HB       PRO  96  11.067  15.952  -3.512
  693   2HB   PRO  96          1HB       PRO  96  11.147  17.184  -4.761
  694   1HG   PRO  96          2HG       PRO  96   8.833  15.600  -3.842
  695   2HG   PRO  96          1HG       PRO  96   8.885  17.232  -4.534
  696   1HD   PRO  96          2HD       PRO  96   7.984  15.160  -5.952
  697   2HD   PRO  96          1HD       PRO  96   8.966  16.434  -6.713
  698    H    SER  97           H        SER  97  13.687  14.594  -5.710
  699    HA   SER  97           HA       SER  97  13.646  11.871  -5.239
  700   1HB   SER  97          2HB       SER  97  15.978  13.734  -4.780
  701   2HB   SER  97          1HB       SER  97  16.058  12.011  -5.146
  702    HG   SER  97           HG       SER  97  14.914  12.592  -7.150
  703    H    HIS  98           H        HIS  98  14.170  14.493  -2.896
  704    HA   HIS  98           HA       HIS  98  14.478  12.420  -0.812
  705   1HB   HIS  98          2HB       HIS  98  15.237  15.337  -0.601
  706   2HB   HIS  98          1HB       HIS  98  15.588  14.069   0.562
  707    HD1  HIS  98           1HD      HIS  98  17.447  16.038  -1.405
  708    HD2  HIS  98           2HD      HIS  98  17.050  11.898  -1.359
  709    HE1  HIS  98           1HE      HIS  98  19.540  15.142  -2.480
  710    HE2  HIS  98           2HE      HIS  98  19.187  12.650  -2.615
  711    H    ASP  99           H        ASP  99  12.102  14.208  -2.115
  712    HA   ASP  99           HA       ASP  99  11.037  15.154   0.459
  713   1HB   ASP  99          2HB       ASP  99  11.234  16.755  -1.467
  714   2HB   ASP  99          1HB       ASP  99  10.038  15.792  -2.334
  715    H    SER 100           H        SER 100  10.796  12.719  -1.830
  716    HA   SER 100           HA       SER 100   8.036  12.086  -1.556
  717   1HB   SER 100          2HB       SER 100   8.965   9.842  -2.569
  718   2HB   SER 100          1HB       SER 100   8.910  11.305  -3.553
  719    HG   SER 100           HG       SER 100  11.031  11.411  -3.548
  720    H    GLU 101           H        GLU 101   7.045  10.815  -0.150
  721    HA   GLU 101           HA       GLU 101   8.530   9.692   2.090
  722   1HB   GLU 101          2HB       GLU 101   6.482  10.934   2.555
  723   2HB   GLU 101          1HB       GLU 101   5.570   9.906   1.465
  724   1HG   GLU 101          2HG       GLU 101   5.093   9.364   3.771
  725   2HG   GLU 101          1HG       GLU 101   5.887   8.014   2.966
  726    H    ARG 102           H        ARG 102   7.849   7.361   2.762
  727    HA   ARG 102           HA       ARG 102   6.838   5.719   0.627
  728   1HB   ARG 102          2HB       ARG 102   9.350   5.988   0.198
  729   2HB   ARG 102          1HB       ARG 102   9.599   5.047   1.662
  730   1HG   ARG 102          2HG       ARG 102   8.556   3.137   0.712
  731   2HG   ARG 102          1HG       ARG 102   7.979   4.059  -0.673
  732   1HD   ARG 102          2HD       ARG 102  10.465   4.527  -1.129
  733   2HD   ARG 102          1HD       ARG 102  10.772   3.196  -0.017
  734    HE   ARG 102           HE       ARG 102   9.066   2.814  -2.406
  735   1HH1  ARG 102          1HH1      ARG 102  11.763   1.884  -0.384
  736   2HH1  ARG 102          2HH1      ARG 102  12.272   0.579  -1.412
  737   1HH2  ARG 102          1HH2      ARG 102   9.698   1.088  -3.761
  738   2HH2  ARG 102          2HH2      ARG 102  11.099   0.138  -3.360
  739    H    PHE 103           H        PHE 103   6.055   3.854   1.258
  740    HA   PHE 103           HA       PHE 103   5.794   3.431   4.148
  741   1HB   PHE 103          2HB       PHE 103   3.665   3.783   3.267
  742   2HB   PHE 103          1HB       PHE 103   4.048   2.986   1.751
  743    HD1  PHE 103           1HD      PHE 103   2.839   2.600   5.130
  744    HD2  PHE 103           2HD      PHE 103   4.015   0.556   1.593
  745    HE1  PHE 103           1HE      PHE 103   1.735   0.562   5.939
  746    HE2  PHE 103           2HE      PHE 103   2.918  -1.484   2.397
  747    HZ   PHE 103           HZ       PHE 103   1.776  -1.479   4.571
  748    H    THR 104           H        THR 104   5.812   1.201   4.919
  749    HA   THR 104           HA       THR 104   6.696  -0.846   3.128
  750    HB   THR 104           HB       THR 104   8.625   0.230   5.201
  751    HG1  THR 104           1HG      THR 104   8.345   0.799   2.669
  752   1HG2  THR 104          1HG2      THR 104  10.093  -1.630   4.569
  753   2HG2  THR 104          2HG2      THR 104   8.822  -2.281   3.535
  754   3HG2  THR 104          3HG2      THR 104   8.586  -2.211   5.281
  755    H    VAL 105           H        VAL 105   5.010  -2.107   3.866
  756    HA   VAL 105           HA       VAL 105   5.242  -2.887   6.684
  757    HB   VAL 105           HB       VAL 105   2.962  -2.302   5.856
  758   1HG1  VAL 105          1HG1      VAL 105   1.778  -3.915   4.441
  759   2HG1  VAL 105          2HG1      VAL 105   3.294  -4.780   4.181
  760   3HG1  VAL 105          3HG1      VAL 105   3.110  -3.126   3.594
  761   1HG2  VAL 105          1HG2      VAL 105   2.936  -3.589   7.762
  762   2HG2  VAL 105          2HG2      VAL 105   3.596  -5.007   6.949
  763   3HG2  VAL 105          3HG2      VAL 105   1.924  -4.520   6.662
  764    H    TYR 106           H        TYR 106   6.074  -4.770   7.231
  765    HA   TYR 106           HA       TYR 106   6.737  -6.680   5.105
  766   1HB   TYR 106          2HB       TYR 106   7.873  -6.322   7.878
  767   2HB   TYR 106          1HB       TYR 106   8.235  -7.690   6.843
  768    HD1  TYR 106           1HD      TYR 106   9.259  -7.151   4.528
  769    HD2  TYR 106           2HD      TYR 106   9.188  -4.419   7.782
  770    HE1  TYR 106           1HE      TYR 106  11.067  -5.864   3.478
  771    HE2  TYR 106           2HE      TYR 106  10.998  -3.123   6.745
  772    HH   TYR 106           HH       TYR 106  11.982  -3.600   3.513
  773    H    LEU 107           H        LEU 107   5.291  -8.243   4.921
  774    HA   LEU 107           HA       LEU 107   4.350  -9.510   7.393
  775   1HB   LEU 107          2HB       LEU 107   2.496  -9.243   5.072
  776   2HB   LEU 107          1HB       LEU 107   2.127  -9.534   6.752
  777    HG   LEU 107           HG       LEU 107   3.349  -6.927   6.246
  778   1HD1  LEU 107          1HD1      LEU 107   2.040  -7.154   4.203
  779   2HD1  LEU 107          2HD1      LEU 107   1.320  -5.965   5.290
  780   3HD1  LEU 107          3HD1      LEU 107   0.616  -7.577   5.155
  781   1HD2  LEU 107          1HD2      LEU 107   2.444  -7.581   8.410
  782   2HD2  LEU 107          2HD2      LEU 107   0.863  -7.861   7.679
  783   3HD2  LEU 107          3HD2      LEU 107   1.531  -6.230   7.737
  784    H    LYS 108           H        LYS 108   3.656 -11.731   7.047
  785    HA   LYS 108           HA       LYS 108   5.047 -12.909   4.747
  786   1HB   LYS 108          2HB       LYS 108   5.881 -13.795   6.785
  787   2HB   LYS 108          1HB       LYS 108   4.264 -14.048   7.424
  788   1HG   LYS 108          2HG       LYS 108   3.918 -15.944   6.199
  789   2HG   LYS 108          1HG       LYS 108   5.026 -15.446   4.918
  790   1HD   LYS 108          2HD       LYS 108   6.929 -15.960   6.291
  791   2HD   LYS 108          1HD       LYS 108   5.904 -16.222   7.701
  792   1HE   LYS 108          2HE       LYS 108   5.797 -17.889   5.194
  793   2HE   LYS 108          1HE       LYS 108   6.741 -18.310   6.619
  794   1HZ   LYS 108          1HZ       LYS 108   4.540 -18.141   7.863
  795   2HZ   LYS 108          2HZ       LYS 108   4.766 -19.482   6.854
  796   3HZ   LYS 108          3HZ       LYS 108   3.802 -18.193   6.337
  797    H    ALA 109           H        ALA 109   3.831 -13.561   3.109
  798    HA   ALA 109           HA       ALA 109   0.936 -13.719   3.565
  799   1HB   ALA 109          1HB       ALA 109   1.678 -11.996   1.983
  800   2HB   ALA 109          2HB       ALA 109   0.707 -13.230   1.180
  801   3HB   ALA 109          3HB       ALA 109   2.461 -13.237   1.003
  802    H    ASN 110           H        ASN 110  -0.110 -15.571   3.272
  803    HA   ASN 110           HA       ASN 110   0.532 -17.719   1.664
  804   1HB   ASN 110          2HB       ASN 110   1.676 -19.301   3.151
  805   2HB   ASN 110          1HB       ASN 110   2.674 -17.885   2.870
  806   1HD2  ASN 110          1HD2      ASN 110   1.572 -16.106   4.719
  807   2HD2  ASN 110          2HD2      ASN 110   1.830 -16.715   6.314
  Start of MODEL    3
    1    H    HIS   3           H        HIS   3  -5.955 -10.040   4.456
    2    HA   HIS   3           HA       HIS   3  -4.941  -9.405   7.121
    3   1HB   HIS   3          2HB       HIS   3  -3.049 -10.624   6.422
    4   2HB   HIS   3          1HB       HIS   3  -3.324 -10.195   4.729
    5    HD1  HIS   3           1HD      HIS   3  -2.511  -8.215   7.890
    6    HD2  HIS   3           2HD      HIS   3  -1.400  -8.517   3.880
    7    HE1  HIS   3           1HE      HIS   3  -0.871  -6.371   7.505
    8    HE2  HIS   3           2HE      HIS   3  -0.345  -6.450   5.045
    9    H    LYS   4           H        LYS   4  -4.474  -7.205   7.363
   10    HA   LYS   4           HA       LYS   4  -5.105  -5.498   5.052
   11   1HB   LYS   4          2HB       LYS   4  -7.076  -5.898   6.512
   12   2HB   LYS   4          1HB       LYS   4  -6.189  -5.186   7.853
   13   1HG   LYS   4          2HG       LYS   4  -7.358  -3.363   7.209
   14   2HG   LYS   4          1HG       LYS   4  -5.953  -3.183   6.144
   15   1HD   LYS   4          2HD       LYS   4  -7.129  -4.083   4.295
   16   2HD   LYS   4          1HD       LYS   4  -8.444  -4.662   5.320
   17   1HE   LYS   4          2HE       LYS   4  -8.912  -2.253   5.885
   18   2HE   LYS   4          1HE       LYS   4  -7.770  -1.814   4.615
   19   1HZ   LYS   4          1HZ       LYS   4  -9.141  -2.895   2.992
   20   2HZ   LYS   4          2HZ       LYS   4 -10.114  -1.825   3.887
   21   3HZ   LYS   4          3HZ       LYS   4 -10.185  -3.486   4.188
   22    H    VAL   5           H        VAL   5  -3.720  -3.818   4.819
   23    HA   VAL   5           HA       VAL   5  -2.336  -2.894   7.238
   24    HB   VAL   5           HB       VAL   5  -1.226  -3.212   4.474
   25   1HG1  VAL   5          1HG1      VAL   5  -0.475  -1.007   6.370
   26   2HG1  VAL   5          2HG1      VAL   5  -0.980  -0.857   4.686
   27   3HG1  VAL   5          3HG1      VAL   5   0.577  -1.592   5.081
   28   1HG2  VAL   5          1HG2      VAL   5  -0.027  -3.395   7.229
   29   2HG2  VAL   5          2HG2      VAL   5   0.723  -3.893   5.713
   30   3HG2  VAL   5          3HG2      VAL   5  -0.692  -4.755   6.319
   31    H    THR   6           H        THR   6  -2.844  -1.017   7.906
   32    HA   THR   6           HA       THR   6  -3.716   1.065   6.038
   33    HB   THR   6           HB       THR   6  -4.381   2.138   8.381
   34    HG1  THR   6           1HG      THR   6  -4.905   0.611   9.895
   35   1HG2  THR   6          1HG2      THR   6  -6.646   1.190   8.068
   36   2HG2  THR   6          2HG2      THR   6  -5.976   0.032   6.916
   37   3HG2  THR   6          3HG2      THR   6  -5.931   1.763   6.559
   38    H    LYS   7           H        LYS   7  -3.111   3.308   6.930
   39    HA   LYS   7           HA       LYS   7  -0.580   3.895   6.371
   40   1HB   LYS   7          2HB       LYS   7  -2.345   5.537   6.728
   41   2HB   LYS   7          1HB       LYS   7  -2.231   5.301   8.463
   42   1HG   LYS   7          2HG       LYS   7  -1.108   7.352   7.531
   43   2HG   LYS   7          1HG       LYS   7  -0.118   6.327   8.568
   44   1HD   LYS   7          2HD       LYS   7   0.998   5.377   6.669
   45   2HD   LYS   7          1HD       LYS   7  -0.093   6.195   5.547
   46   1HE   LYS   7          2HE       LYS   7   2.218   7.219   5.884
   47   2HE   LYS   7          1HE       LYS   7   0.836   8.305   6.024
   48   1HZ   LYS   7          1HZ       LYS   7   2.737   8.320   7.798
   49   2HZ   LYS   7          2HZ       LYS   7   1.863   7.021   8.462
   50   3HZ   LYS   7          3HZ       LYS   7   1.116   8.532   8.260
   51    H    ALA   8           H        ALA   8  -1.564   3.092   9.734
   52    HA   ALA   8           HA       ALA   8   0.802   3.759  11.035
   53   1HB   ALA   8          1HB       ALA   8   0.135   2.230  12.780
   54   2HB   ALA   8          2HB       ALA   8  -0.974   1.413  11.681
   55   3HB   ALA   8          3HB       ALA   8  -1.280   3.083  12.164
   56    H    HIS   9           H        HIS   9   0.091   0.960   9.094
   57    HA   HIS   9           HA       HIS   9   2.243  -0.658   9.994
   58   1HB   HIS   9          2HB       HIS   9   0.665  -0.749   7.437
   59   2HB   HIS   9          1HB       HIS   9   1.854  -1.956   7.909
   60    HD1  HIS   9           1HD      HIS   9  -1.588  -0.790   8.568
   61    HD2  HIS   9           2HD      HIS   9   1.019  -3.681  10.001
   62    HE1  HIS   9           1HE      HIS   9  -3.041  -2.493   9.714
   63    HE2  HIS   9           2HE      HIS   9  -1.443  -4.256  10.561
   64    H    ASN  10           H        ASN  10   2.266   2.185   8.305
   65    HA   ASN  10           HA       ASN  10   4.321   2.130   6.507
   66   1HB   ASN  10          2HB       ASN  10   3.204   4.199   7.120
   67   2HB   ASN  10          1HB       ASN  10   3.822   4.095   8.766
   68   1HD2  ASN  10          1HD2      ASN  10   5.694   3.481   5.855
   69   2HD2  ASN  10          2HD2      ASN  10   6.738   4.844   6.020
   70    H    GLY  11           H        GLY  11   4.380   1.283   9.835
   71   1HA   GLY  11          2HA       GLY  11   7.225   0.572   9.587
   72   2HA   GLY  11          1HA       GLY  11   6.692   1.446  11.017
   73    H    ALA  12           H        ALA  12   5.519  -1.352   9.109
   74    HA   ALA  12           HA       ALA  12   5.076  -2.738  11.688
   75   1HB   ALA  12          1HB       ALA  12   2.967  -2.346  10.752
   76   2HB   ALA  12          2HB       ALA  12   3.327  -4.031  10.361
   77   3HB   ALA  12          3HB       ALA  12   3.513  -2.774   9.135
   78    H    THR  13           H        THR  13   5.495  -4.919  11.860
   79    HA   THR  13           HA       THR  13   6.566  -6.403   9.575
   80    HB   THR  13           HB       THR  13   8.023  -6.277  12.236
   81    HG1  THR  13           1HG      THR  13   8.117  -4.605  10.158
   82   1HG2  THR  13          1HG2      THR  13   8.725  -7.633   9.628
   83   2HG2  THR  13          2HG2      THR  13   8.227  -8.437  11.115
   84   3HG2  THR  13          3HG2      THR  13   9.759  -7.563  11.055
   85    H    LEU  14           H        LEU  14   5.189  -8.116   9.505
   86    HA   LEU  14           HA       LEU  14   4.692  -9.751  11.792
   87   1HB   LEU  14          2HB       LEU  14   2.327  -9.392  12.047
   88   2HB   LEU  14          1HB       LEU  14   3.190  -7.899  12.306
   89    HG   LEU  14           HG       LEU  14   1.237  -7.291  11.184
   90   1HD1  LEU  14          1HD1      LEU  14   3.358  -7.474   9.071
   91   2HD1  LEU  14          2HD1      LEU  14   3.131  -6.167  10.233
   92   3HD1  LEU  14          3HD1      LEU  14   1.913  -6.464   8.992
   93   1HD2  LEU  14          1HD2      LEU  14   0.467  -9.459  10.482
   94   2HD2  LEU  14          2HD2      LEU  14   1.710  -9.528   9.233
   95   3HD2  LEU  14          3HD2      LEU  14   0.417  -8.333   9.125
   96    H    THR  15           H        THR  15   3.063 -11.517  11.282
   97    HA   THR  15           HA       THR  15   3.456 -12.350   8.491
   98    HB   THR  15           HB       THR  15   2.709 -13.988  10.921
   99    HG1  THR  15           1HG      THR  15   4.893 -13.228  10.897
  100   1HG2  THR  15          1HG2      THR  15   3.458 -14.910   8.144
  101   2HG2  THR  15          2HG2      THR  15   1.804 -14.831   8.758
  102   3HG2  THR  15          3HG2      THR  15   2.979 -15.926   9.507
  103    H    VAL  16           H        VAL  16   1.728 -13.105   7.236
  104    HA   VAL  16           HA       VAL  16  -0.939 -12.424   8.286
  105    HB   VAL  16           HB       VAL  16  -1.557 -11.360   6.292
  106   1HG1  VAL  16          1HG1      VAL  16   0.110  -9.598   6.018
  107   2HG1  VAL  16          2HG1      VAL  16   1.307 -10.601   6.839
  108   3HG1  VAL  16          3HG1      VAL  16  -0.106 -10.018   7.717
  109   1HG2  VAL  16          1HG2      VAL  16   0.986 -12.337   5.011
  110   2HG2  VAL  16          2HG2      VAL  16  -0.228 -11.300   4.258
  111   3HG2  VAL  16          3HG2      VAL  16  -0.636 -12.959   4.700
  112    H    ALA  17           H        ALA  17  -2.649 -13.698   7.601
  113    HA   ALA  17           HA       ALA  17  -2.015 -15.996   5.890
  114   1HB   ALA  17          1HB       ALA  17  -3.088 -16.575   7.990
  115   2HB   ALA  17          2HB       ALA  17  -4.212 -16.859   6.658
  116   3HB   ALA  17          3HB       ALA  17  -4.382 -15.423   7.670
  117    H    VAL  18           H        VAL  18  -2.819 -16.033   3.831
  118    HA   VAL  18           HA       VAL  18  -4.730 -13.887   3.168
  119    HB   VAL  18           HB       VAL  18  -3.290 -15.342   1.006
  120   1HG1  VAL  18          1HG1      VAL  18  -4.977 -13.695   0.441
  121   2HG1  VAL  18          2HG1      VAL  18  -3.383 -13.132  -0.062
  122   3HG1  VAL  18          3HG1      VAL  18  -4.132 -12.473   1.393
  123   1HG2  VAL  18          1HG2      VAL  18  -1.459 -13.579   1.206
  124   2HG2  VAL  18          2HG2      VAL  18  -1.407 -14.949   2.307
  125   3HG2  VAL  18          3HG2      VAL  18  -1.999 -13.382   2.881
  126    H    GLY  19           H        GLY  19  -4.971 -15.445   0.524
  127   1HA   GLY  19          2HA       GLY  19  -6.074 -17.541  -0.057
  128   2HA   GLY  19          1HA       GLY  19  -6.886 -17.475   1.505
  129    H    GLU  20           H        GLU  20  -7.861 -15.022   1.704
  130    HA   GLU  20           HA       GLU  20  -9.820 -14.836  -0.439
  131   1HB   GLU  20          2HB       GLU  20  -9.561 -12.930   1.876
  132   2HB   GLU  20          1HB       GLU  20 -10.996 -13.321   0.941
  133   1HG   GLU  20          2HG       GLU  20 -11.148 -15.477   1.976
  134   2HG   GLU  20          1HG       GLU  20  -9.607 -15.226   2.806
  135    H    LEU  21           H        LEU  21  -7.961 -12.374   1.302
  136    HA   LEU  21           HA       LEU  21  -6.840 -11.243  -1.098
  137   1HB   LEU  21          2HB       LEU  21  -9.382 -10.517  -0.540
  138   2HB   LEU  21          1HB       LEU  21  -8.522  -9.380   0.473
  139    HG   LEU  21           HG       LEU  21  -8.439  -9.636  -2.531
  140   1HD1  LEU  21          1HD1      LEU  21  -9.176  -7.313  -2.471
  141   2HD1  LEU  21          2HD1      LEU  21  -9.171  -7.356  -0.709
  142   3HD1  LEU  21          3HD1      LEU  21 -10.296  -8.370  -1.612
  143   1HD2  LEU  21          1HD2      LEU  21  -6.154  -9.291  -1.809
  144   2HD2  LEU  21          2HD2      LEU  21  -6.659  -7.927  -0.804
  145   3HD2  LEU  21          3HD2      LEU  21  -6.795  -7.828  -2.560
  146    H    VAL  22           H        VAL  22  -4.955 -10.187  -0.537
  147    HA   VAL  22           HA       VAL  22  -4.663  -9.426   2.283
  148    HB   VAL  22           HB       VAL  22  -2.843 -10.799   0.502
  149   1HG1  VAL  22          1HG1      VAL  22  -0.787  -9.574   0.959
  150   2HG1  VAL  22          2HG1      VAL  22  -1.693  -8.309   1.789
  151   3HG1  VAL  22          3HG1      VAL  22  -1.903  -8.554   0.055
  152   1HG2  VAL  22          1HG2      VAL  22  -1.644 -11.182   2.606
  153   2HG2  VAL  22          2HG2      VAL  22  -3.374 -11.491   2.743
  154   3HG2  VAL  22          3HG2      VAL  22  -2.690 -10.006   3.402
  155    H    GLU  23           H        GLU  23  -4.844  -7.342   2.706
  156    HA   GLU  23           HA       GLU  23  -4.719  -5.482   0.440
  157   1HB   GLU  23          2HB       GLU  23  -6.178  -5.352   3.063
  158   2HB   GLU  23          1HB       GLU  23  -5.977  -3.950   2.028
  159   1HG   GLU  23          2HG       GLU  23  -7.098  -5.267   0.210
  160   2HG   GLU  23          1HG       GLU  23  -7.481  -6.476   1.438
  161    H    ILE  24           H        ILE  24  -3.441  -3.803   0.397
  162    HA   ILE  24           HA       ILE  24  -2.174  -2.864   2.883
  163    HB   ILE  24           HB       ILE  24  -0.940  -2.770   0.117
  164   1HG1  ILE  24          2HG1      ILE  24  -0.971  -5.077   1.017
  165   2HG1  ILE  24          1HG1      ILE  24   0.665  -4.435   0.897
  166   1HG2  ILE  24          1HG2      ILE  24   1.078  -2.035   1.344
  167   2HG2  ILE  24          2HG2      ILE  24   0.114  -1.969   2.820
  168   3HG2  ILE  24          3HG2      ILE  24  -0.271  -0.905   1.467
  169   1HD1  ILE  24          1HD1      ILE  24   0.315  -5.677   2.964
  170   2HD1  ILE  24          2HD1      ILE  24  -0.981  -4.565   3.410
  171   3HD1  ILE  24          3HD1      ILE  24   0.677  -3.979   3.276
  172    H    GLN  25           H        GLN  25  -3.434  -1.060   3.274
  173    HA   GLN  25           HA       GLN  25  -4.099   0.588   0.930
  174   1HB   GLN  25          2HB       GLN  25  -6.138  -0.232   1.673
  175   2HB   GLN  25          1HB       GLN  25  -5.698  -0.095   3.377
  176   1HG   GLN  25          2HG       GLN  25  -5.716   2.427   1.932
  177   2HG   GLN  25          1HG       GLN  25  -7.281   1.616   1.960
  178   1HE2  GLN  25          1HE2      GLN  25  -4.810   3.117   3.911
  179   2HE2  GLN  25          2HE2      GLN  25  -5.756   3.258   5.348
  180    H    LEU  26           H        LEU  26  -3.653   2.687   0.933
  181    HA   LEU  26           HA       LEU  26  -2.626   3.828   3.411
  182   1HB   LEU  26          2HB       LEU  26  -1.823   4.253   0.577
  183   2HB   LEU  26          1HB       LEU  26  -1.661   5.586   1.699
  184    HG   LEU  26           HG       LEU  26   0.447   4.458   1.479
  185   1HD1  LEU  26          1HD1      LEU  26   0.874   3.804   3.836
  186   2HD1  LEU  26          2HD1      LEU  26  -0.863   3.926   4.132
  187   3HD1  LEU  26          3HD1      LEU  26   0.052   5.356   3.647
  188   1HD2  LEU  26          1HD2      LEU  26   0.763   2.120   2.126
  189   2HD2  LEU  26          2HD2      LEU  26  -0.336   2.275   0.754
  190   3HD2  LEU  26          3HD2      LEU  26  -0.979   1.955   2.364
  191    HA   PRO  27           HA       PRO  27  -6.026   6.710   2.983
  192   1HB   PRO  27          2HB       PRO  27  -5.489   8.430   4.870
  193   2HB   PRO  27          1HB       PRO  27  -5.678   6.718   5.328
  194   1HG   PRO  27          2HG       PRO  27  -3.095   8.197   4.752
  195   2HG   PRO  27          1HG       PRO  27  -3.509   7.241   6.196
  196   1HD   PRO  27          2HD       PRO  27  -2.115   6.216   4.104
  197   2HD   PRO  27          1HD       PRO  27  -3.215   5.229   5.091
  198    H    SER  28           H        SER  28  -3.146   7.092   1.727
  199    HA   SER  28           HA       SER  28  -2.217   8.483   0.245
  200   1HB   SER  28          2HB       SER  28  -4.556  10.358   0.518
  201   2HB   SER  28          1HB       SER  28  -3.530  10.084  -0.894
  202    HG   SER  28           HG       SER  28  -4.574   8.311  -1.365
  203    H    ASN  29           H        ASN  29  -3.706  10.251   2.901
  204    HA   ASN  29           HA       ASN  29  -3.036  12.073   4.124
  205   1HB   ASN  29          2HB       ASN  29  -0.167  11.548   3.496
  206   2HB   ASN  29          1HB       ASN  29  -0.884  12.060   5.009
  207   1HD2  ASN  29          1HD2      ASN  29   0.097   9.475   3.043
  208   2HD2  ASN  29          2HD2      ASN  29  -0.218   8.196   4.152
  209    HA   PRO  30           HA       PRO  30  -2.540  13.802  -0.220
  210   1HB   PRO  30          2HB       PRO  30  -4.570  15.648   0.952
  211   2HB   PRO  30          1HB       PRO  30  -4.514  14.906  -0.655
  212   1HG   PRO  30          2HG       PRO  30  -6.157  13.908   1.134
  213   2HG   PRO  30          1HG       PRO  30  -5.157  12.805   0.166
  214   1HD   PRO  30          2HD       PRO  30  -4.752  13.724   2.982
  215   2HD   PRO  30          1HD       PRO  30  -4.618  12.089   2.302
  216    H    THR  31           H        THR  31  -0.576  14.670  -0.114
  217    HA   THR  31           HA       THR  31  -0.203  17.157   1.381
  218    HB   THR  31           HB       THR  31   1.631  15.947   1.945
  219    HG1  THR  31           1HG      THR  31   3.276  16.924   1.001
  220   1HG2  THR  31          1HG2      THR  31   2.760  14.292   0.443
  221   2HG2  THR  31          2HG2      THR  31   1.494  14.585  -0.752
  222   3HG2  THR  31          3HG2      THR  31   1.082  13.897   0.824
  223    H    THR  32           H        THR  32   0.324  15.819  -1.871
  224    HA   THR  32           HA       THR  32  -0.379  18.271  -3.136
  225    HB   THR  32           HB       THR  32   1.896  18.865  -2.367
  226    HG1  THR  32           1HG      THR  32   1.007  19.540  -4.496
  227   1HG2  THR  32          1HG2      THR  32   3.862  17.755  -3.303
  228   2HG2  THR  32          2HG2      THR  32   2.821  16.571  -4.094
  229   3HG2  THR  32          3HG2      THR  32   2.896  16.641  -2.333
  230    H    GLY  33           H        GLY  33   1.363  17.588  -5.505
  231   1HA   GLY  33          2HA       GLY  33  -0.302  15.862  -6.920
  232   2HA   GLY  33          1HA       GLY  33   1.358  16.219  -7.351
  233    H    PHE  34           H        PHE  34   2.326  15.123  -4.791
  234    HA   PHE  34           HA       PHE  34   3.028  12.598  -5.043
  235   1HB   PHE  34          2HB       PHE  34   2.030  14.079  -2.654
  236   2HB   PHE  34          1HB       PHE  34   2.452  12.378  -2.498
  237    HD1  PHE  34           1HD      PHE  34   4.207  12.824  -0.948
  238    HD2  PHE  34           2HD      PHE  34   4.226  14.570  -4.823
  239    HE1  PHE  34           1HE      PHE  34   6.570  13.416  -0.667
  240    HE2  PHE  34           2HE      PHE  34   6.596  15.158  -4.553
  241    HZ   PHE  34           HZ       PHE  34   7.770  14.580  -2.474
  242    H    ALA  35           H        ALA  35   2.281  10.633  -5.091
  243    HA   ALA  35           HA       ALA  35  -0.279   9.957  -3.908
  244   1HB   ALA  35          1HB       ALA  35  -0.966   8.681  -5.916
  245   2HB   ALA  35          2HB       ALA  35   0.443   9.297  -6.778
  246   3HB   ALA  35          3HB       ALA  35  -0.826  10.406  -6.260
  247    H    TRP  36           H        TRP  36  -0.350   7.672  -3.329
  248    HA   TRP  36           HA       TRP  36   2.318   6.651  -2.839
  249   1HB   TRP  36          2HB       TRP  36  -0.366   5.467  -2.060
  250   2HB   TRP  36          1HB       TRP  36   1.202   4.767  -1.667
  251    HD1  TRP  36           HD       TRP  36  -1.164   7.575  -0.598
  252    HE1  TRP  36           1HE      TRP  36  -0.377   8.427   1.680
  253    HE3  TRP  36           3HE      TRP  36   3.319   5.132  -0.317
  254    HZ2  TRP  36           2HZ      TRP  36   1.823   8.100   3.401
  255    HZ3  TRP  36           3HZ      TRP  36   4.721   5.458   1.678
  256    HH2  TRP  36           HH       TRP  36   3.986   6.920   3.509
  257    H    TYR  37           H        TYR  37   3.334   5.641  -4.411
  258    HA   TYR  37           HA       TYR  37   1.904   3.424  -5.731
  259   1HB   TYR  37          2HB       TYR  37   4.120   5.189  -6.752
  260   2HB   TYR  37          1HB       TYR  37   3.832   3.594  -7.436
  261    HD1  TYR  37           1HD      TYR  37   2.538   6.991  -7.064
  262    HD2  TYR  37           2HD      TYR  37   1.875   3.158  -8.795
  263    HE1  TYR  37           1HE      TYR  37   0.812   7.957  -8.540
  264    HE2  TYR  37           2HE      TYR  37   0.156   4.109 -10.271
  265    HH   TYR  37           HH       TYR  37  -0.267   7.457 -10.700
  266    H    PHE  38           H        PHE  38   3.707   1.653  -6.377
  267    HA   PHE  38           HA       PHE  38   5.130   0.934  -4.029
  268   1HB   PHE  38          2HB       PHE  38   4.732  -0.173  -6.684
  269   2HB   PHE  38          1HB       PHE  38   6.382  -0.375  -6.117
  270    HD1  PHE  38           1HD      PHE  38   3.006  -1.528  -5.908
  271    HD2  PHE  38           2HD      PHE  38   6.751  -1.538  -3.891
  272    HE1  PHE  38           1HE      PHE  38   2.274  -3.464  -4.577
  273    HE2  PHE  38           2HE      PHE  38   6.029  -3.478  -2.555
  274    HZ   PHE  38           HZ       PHE  38   3.788  -4.447  -2.900
  275    H    GLU  39           H        GLU  39   6.672   1.318  -7.191
  276    HA   GLU  39           HA       GLU  39   8.800   2.879  -5.892
  277   1HB   GLU  39          2HB       GLU  39   8.849   1.423  -8.547
  278   2HB   GLU  39          1HB       GLU  39  10.209   2.241  -7.792
  279   1HG   GLU  39          2HG       GLU  39   8.777  -0.181  -6.723
  280   2HG   GLU  39          1HG       GLU  39  10.357  -0.163  -7.506
  281    H    GLY  40           H        GLY  40   6.043   3.440  -7.386
  282   1HA   GLY  40          2HA       GLY  40   5.277   5.470  -8.276
  283   2HA   GLY  40          1HA       GLY  40   6.942   5.931  -8.602
  284    H    GLY  41           H        GLY  41   4.087   4.950  -9.986
  285   1HA   GLY  41          2HA       GLY  41   3.649   4.666 -12.257
  286   2HA   GLY  41          1HA       GLY  41   5.376   4.526 -12.548
  287    H    THR  42           H        THR  42   5.384   2.477 -10.267
  288    HA   THR  42           HA       THR  42   4.215   0.231 -11.747
  289    HB   THR  42           HB       THR  42   6.196  -1.049 -10.586
  290    HG1  THR  42           1HG      THR  42   7.825   1.044 -11.300
  291   1HG2  THR  42          1HG2      THR  42   5.745  -1.082 -12.972
  292   2HG2  THR  42          2HG2      THR  42   7.473  -0.866 -12.690
  293   3HG2  THR  42          3HG2      THR  42   6.476   0.511 -13.159
  294    H    LYS  43           H        LYS  43   3.201  -1.267 -10.632
  295    HA   LYS  43           HA       LYS  43   3.790  -1.575  -7.796
  296   1HB   LYS  43          2HB       LYS  43   1.070  -2.135  -8.002
  297   2HB   LYS  43          1HB       LYS  43   1.796  -0.803  -7.130
  298   1HG   LYS  43          2HG       LYS  43   0.107   0.106  -8.504
  299   2HG   LYS  43          1HG       LYS  43   1.647   0.525  -9.253
  300   1HD   LYS  43          2HD       LYS  43   1.377  -1.354 -10.816
  301   2HD   LYS  43          1HD       LYS  43  -0.181  -1.728 -10.079
  302   1HE   LYS  43          2HE       LYS  43  -1.066   0.410 -10.766
  303   2HE   LYS  43          1HE       LYS  43   0.508   0.891 -11.398
  304   1HZ   LYS  43          1HZ       LYS  43  -1.076   0.105 -13.114
  305   2HZ   LYS  43          2HZ       LYS  43  -1.035  -1.437 -12.409
  306   3HZ   LYS  43          3HZ       LYS  43   0.370  -0.771 -13.077
  307    H    GLU  44           H        GLU  44   4.176  -3.665  -7.361
  308    HA   GLU  44           HA       GLU  44   2.922  -5.682  -9.094
  309   1HB   GLU  44          2HB       GLU  44   5.009  -7.007  -9.020
  310   2HB   GLU  44          1HB       GLU  44   5.212  -5.470  -9.842
  311   1HG   GLU  44          2HG       GLU  44   5.936  -5.800  -6.955
  312   2HG   GLU  44          1HG       GLU  44   7.048  -6.255  -8.243
  313    H    SER  45           H        SER  45   2.647  -7.763  -8.182
  314    HA   SER  45           HA       SER  45   2.698  -7.778  -5.221
  315   1HB   SER  45          2HB       SER  45   0.887  -9.557  -5.527
  316   2HB   SER  45          1HB       SER  45   0.431  -7.898  -5.918
  317    HG   SER  45           HG       SER  45   1.488  -9.317  -8.031
  318    HA   PRO  46           HA       PRO  46   5.745 -11.065  -5.709
  319   1HB   PRO  46          2HB       PRO  46   4.829 -11.654  -2.943
  320   2HB   PRO  46          1HB       PRO  46   6.467 -11.407  -3.556
  321   1HG   PRO  46          2HG       PRO  46   5.239  -9.524  -2.115
  322   2HG   PRO  46          1HG       PRO  46   6.287  -9.099  -3.483
  323   1HD   PRO  46          2HD       PRO  46   3.302  -9.127  -3.314
  324   2HD   PRO  46          1HD       PRO  46   4.378  -8.004  -4.172
  325    H    ASN  47           H        ASN  47   5.298 -12.869  -6.744
  326    HA   ASN  47           HA       ASN  47   4.646 -15.012  -7.095
  327   1HB   ASN  47          2HB       ASN  47   3.106 -14.688  -4.532
  328   2HB   ASN  47          1HB       ASN  47   3.148 -16.180  -5.460
  329   1HD2  ASN  47          1HD2      ASN  47   4.101 -15.495  -2.739
  330   2HD2  ASN  47          2HD2      ASN  47   5.762 -15.970  -2.711
  331    H    GLU  48           H        GLU  48   3.280 -12.632  -8.122
  332    HA   GLU  48           HA       GLU  48   0.514 -13.334  -8.363
  333   1HB   GLU  48          2HB       GLU  48   0.357 -11.402  -9.815
  334   2HB   GLU  48          1HB       GLU  48   1.325 -11.016  -8.400
  335   1HG   GLU  48          2HG       GLU  48   3.356 -11.182  -9.672
  336   2HG   GLU  48          1HG       GLU  48   2.455 -11.689 -11.101
  337    H    SER  49           H        SER  49   1.795 -15.569  -9.102
  338    HA   SER  49           HA       SER  49   2.161 -15.629 -11.978
  339   1HB   SER  49          2HB       SER  49   2.297 -17.849  -9.927
  340   2HB   SER  49          1HB       SER  49   2.781 -17.979 -11.618
  341    HG   SER  49           HG       SER  49   4.133 -15.979 -10.917
  342    H    MET  50           H        MET  50  -0.203 -16.686  -9.618
  343    HA   MET  50           HA       MET  50  -2.005 -17.422 -11.821
  344   1HB   MET  50          2HB       MET  50  -3.020 -19.120 -10.428
  345   2HB   MET  50          1HB       MET  50  -1.306 -19.418 -10.628
  346   1HG   MET  50          2HG       MET  50  -2.583 -18.177  -8.199
  347   2HG   MET  50          1HG       MET  50  -2.109 -19.867  -8.345
  348   1HE   MET  50          1HE       MET  50   0.522 -18.420  -5.815
  349   2HE   MET  50          2HE       MET  50  -0.685 -19.674  -6.098
  350   3HE   MET  50          3HE       MET  50  -1.185 -17.990  -5.948
  351    H    PHE  51           H        PHE  51  -1.512 -16.006  -8.722
  352    HA   PHE  51           HA       PHE  51  -4.178 -14.811  -8.757
  353   1HB   PHE  51          2HB       PHE  51  -2.316 -15.662  -6.636
  354   2HB   PHE  51          1HB       PHE  51  -3.074 -14.099  -6.335
  355    HD1  PHE  51           1HD      PHE  51  -4.217 -17.342  -7.805
  356    HD2  PHE  51           2HD      PHE  51  -4.890 -14.279  -4.920
  357    HE1  PHE  51           1HE      PHE  51  -6.269 -18.486  -7.076
  358    HE2  PHE  51           2HE      PHE  51  -6.940 -15.424  -4.188
  359    HZ   PHE  51           HZ       PHE  51  -7.633 -17.523  -5.264
  360    H    THR  52           H        THR  52  -3.917 -12.334  -7.733
  361    HA   THR  52           HA       THR  52  -1.929 -11.086  -9.422
  362    HB   THR  52           HB       THR  52  -3.600 -11.839 -11.039
  363    HG1  THR  52           1HG      THR  52  -2.537  -9.778 -11.353
  364   1HG2  THR  52          1HG2      THR  52  -5.542 -10.158  -9.441
  365   2HG2  THR  52          2HG2      THR  52  -5.564 -11.912  -9.611
  366   3HG2  THR  52          3HG2      THR  52  -5.880 -10.889 -11.012
  367    H    VAL  53           H        VAL  53  -2.270  -8.685  -9.503
  368    HA   VAL  53           HA       VAL  53  -3.164  -7.851  -6.838
  369    HB   VAL  53           HB       VAL  53  -0.698  -7.715  -7.495
  370   1HG1  VAL  53          1HG1      VAL  53  -0.930  -6.765  -9.708
  371   2HG1  VAL  53          2HG1      VAL  53  -0.005  -5.678  -8.672
  372   3HG1  VAL  53          3HG1      VAL  53  -1.695  -5.325  -9.034
  373   1HG2  VAL  53          1HG2      VAL  53  -2.057  -5.233  -6.483
  374   2HG2  VAL  53          2HG2      VAL  53  -0.382  -5.710  -6.193
  375   3HG2  VAL  53          3HG2      VAL  53  -1.704  -6.677  -5.534
  376    H    GLU  54           H        GLU  54  -4.227  -5.913  -6.575
  377    HA   GLU  54           HA       GLU  54  -5.188  -4.556  -8.999
  378   1HB   GLU  54          2HB       GLU  54  -7.150  -5.510  -8.269
  379   2HB   GLU  54          1HB       GLU  54  -6.673  -5.490  -6.577
  380   1HG   GLU  54          2HG       GLU  54  -7.007  -3.046  -6.558
  381   2HG   GLU  54          1HG       GLU  54  -7.563  -3.134  -8.227
  382    H    ASN  55           H        ASN  55  -5.271  -2.354  -8.928
  383    HA   ASN  55           HA       ASN  55  -4.278  -1.094  -6.462
  384   1HB   ASN  55          2HB       ASN  55  -3.043   0.535  -7.720
  385   2HB   ASN  55          1HB       ASN  55  -2.507  -1.072  -8.195
  386   1HD2  ASN  55          1HD2      ASN  55  -3.067  -1.853 -10.257
  387   2HD2  ASN  55          2HD2      ASN  55  -3.557  -0.787 -11.532
  388    H    LYS  56           H        LYS  56  -5.368   0.632  -5.760
  389    HA   LYS  56           HA       LYS  56  -7.333   1.933  -7.420
  390   1HB   LYS  56          2HB       LYS  56  -9.006   1.281  -5.395
  391   2HB   LYS  56          1HB       LYS  56  -8.946   0.436  -6.934
  392   1HG   LYS  56          2HG       LYS  56  -8.709  -1.389  -5.664
  393   2HG   LYS  56          1HG       LYS  56  -7.027  -0.869  -5.541
  394   1HD   LYS  56          2HD       LYS  56  -8.010  -1.446  -3.356
  395   2HD   LYS  56          1HD       LYS  56  -7.473   0.234  -3.443
  396   1HE   LYS  56          2HE       LYS  56  -9.720  -0.186  -2.355
  397   2HE   LYS  56          1HE       LYS  56  -9.672   1.033  -3.620
  398   1HZ   LYS  56          1HZ       LYS  56 -10.578  -0.597  -5.176
  399   2HZ   LYS  56          2HZ       LYS  56 -11.602  -0.426  -3.836
  400   3HZ   LYS  56          3HZ       LYS  56 -10.595  -1.779  -3.960
  401    H    TYR  57           H        TYR  57  -6.808   3.932  -6.976
  402    HA   TYR  57           HA       TYR  57  -6.425   4.673  -4.162
  403   1HB   TYR  57          2HB       TYR  57  -5.198   6.326  -6.258
  404   2HB   TYR  57          1HB       TYR  57  -4.655   5.984  -4.628
  405    HD1  TYR  57           1HD      TYR  57  -4.404   5.065  -8.115
  406    HD2  TYR  57           2HD      TYR  57  -3.470   3.838  -4.153
  407    HE1  TYR  57           1HE      TYR  57  -2.743   3.485  -9.001
  408    HE2  TYR  57           2HE      TYR  57  -1.811   2.255  -5.029
  409    HH   TYR  57           HH       TYR  57  -1.241   1.097  -7.014
  410    H    PHE  58           H        PHE  58  -7.440   6.470  -3.422
  411    HA   PHE  58           HA       PHE  58  -8.904   8.082  -5.406
  412   1HB   PHE  58          2HB       PHE  58  -9.700   7.347  -2.583
  413   2HB   PHE  58          1HB       PHE  58 -10.533   8.560  -3.549
  414    HD1  PHE  58           1HD      PHE  58  -9.732   4.960  -3.305
  415    HD2  PHE  58           2HD      PHE  58 -12.118   7.944  -5.179
  416    HE1  PHE  58           1HE      PHE  58 -11.163   3.204  -4.266
  417    HE2  PHE  58           2HE      PHE  58 -13.549   6.194  -6.148
  418    HZ   PHE  58           HZ       PHE  58 -13.074   3.820  -5.693
  419    HA   PRO  59           HA       PRO  59  -6.329  11.263  -3.417
  420   1HB   PRO  59          2HB       PRO  59  -6.271  12.413  -6.088
  421   2HB   PRO  59          1HB       PRO  59  -4.921  11.822  -5.113
  422   1HG   PRO  59          2HG       PRO  59  -5.720  10.569  -7.372
  423   2HG   PRO  59          1HG       PRO  59  -5.055   9.693  -5.973
  424   1HD   PRO  59          2HD       PRO  59  -7.948  10.111  -6.727
  425   2HD   PRO  59          1HD       PRO  59  -7.116   8.604  -6.275
  426    HA   PRO  60           HA       PRO  60  -9.924  13.856  -2.963
  427   1HB   PRO  60          2HB       PRO  60  -7.867  15.765  -1.996
  428   2HB   PRO  60          1HB       PRO  60  -9.358  15.217  -1.218
  429   1HG   PRO  60          2HG       PRO  60  -7.086  14.288  -0.345
  430   2HG   PRO  60          1HG       PRO  60  -8.422  13.150  -0.623
  431   1HD   PRO  60          2HD       PRO  60  -6.078  13.744  -2.424
  432   2HD   PRO  60          1HD       PRO  60  -6.706  12.163  -1.898
  433    H    ASP  61           H        ASP  61  -9.948  16.481  -2.950
  434    HA   ASP  61           HA       ASP  61  -9.064  17.740  -5.347
  435   1HB   ASP  61          2HB       ASP  61 -10.710  16.091  -6.302
  436   2HB   ASP  61          1HB       ASP  61 -11.949  16.794  -5.252
  437    H    SER  62           H        SER  62 -12.087  17.507  -3.604
  438    HA   SER  62           HA       SER  62 -11.576  19.747  -1.940
  439   1HB   SER  62          2HB       SER  62 -13.630  21.006  -2.826
  440   2HB   SER  62          1HB       SER  62 -12.175  21.074  -3.823
  441    HG   SER  62           HG       SER  62 -13.076  19.771  -5.290
  442    H    LYS  63           H        LYS  63 -14.566  18.493  -3.331
  443    HA   LYS  63           HA       LYS  63 -15.645  18.013  -0.694
  444   1HB   LYS  63          2HB       LYS  63 -17.700  17.360  -2.077
  445   2HB   LYS  63          1HB       LYS  63 -17.168  19.033  -2.150
  446   1HG   LYS  63          2HG       LYS  63 -17.747  18.333  -4.350
  447   2HG   LYS  63          1HG       LYS  63 -15.994  18.507  -4.277
  448   1HD   LYS  63          2HD       LYS  63 -15.784  16.063  -3.951
  449   2HD   LYS  63          1HD       LYS  63 -17.549  15.926  -4.109
  450   1HE   LYS  63          2HE       LYS  63 -15.605  16.868  -6.213
  451   2HE   LYS  63          1HE       LYS  63 -16.572  15.394  -6.234
  452   1HZ   LYS  63          1HZ       LYS  63 -17.708  16.880  -7.613
  453   2HZ   LYS  63          2HZ       LYS  63 -17.483  18.191  -6.559
  454   3HZ   LYS  63          3HZ       LYS  63 -18.567  16.951  -6.147
  455    H    LEU  64           H        LEU  64 -13.940  16.169  -2.923
  456    HA   LEU  64           HA       LEU  64 -15.253  13.704  -2.893
  457   1HB   LEU  64          2HB       LEU  64 -12.320  14.352  -3.130
  458   2HB   LEU  64          1HB       LEU  64 -12.963  12.738  -3.341
  459    HG   LEU  64           HG       LEU  64 -13.590  15.133  -5.068
  460   1HD1  LEU  64          1HD1      LEU  64 -12.387  13.885  -6.791
  461   2HD1  LEU  64          2HD1      LEU  64 -12.019  12.619  -5.620
  462   3HD1  LEU  64          3HD1      LEU  64 -11.348  14.237  -5.410
  463   1HD2  LEU  64          1HD2      LEU  64 -14.787  13.513  -6.482
  464   2HD2  LEU  64          2HD2      LEU  64 -15.532  13.695  -4.894
  465   3HD2  LEU  64          3HD2      LEU  64 -14.544  12.277  -5.247
  466    H    LEU  65           H        LEU  65 -12.538  14.799  -0.926
  467    HA   LEU  65           HA       LEU  65 -13.490  13.601   1.407
  468   1HB   LEU  65          2HB       LEU  65 -12.937  11.495   0.707
  469   2HB   LEU  65          1HB       LEU  65 -11.663  12.065  -0.335
  470    HG   LEU  65           HG       LEU  65 -10.090  12.107   1.480
  471   1HD1  LEU  65          1HD1      LEU  65 -12.372  11.341   3.305
  472   2HD1  LEU  65          2HD1      LEU  65 -11.505  12.879   3.318
  473   3HD1  LEU  65          3HD1      LEU  65 -10.657  11.384   3.745
  474   1HD2  LEU  65          1HD2      LEU  65 -11.773   9.617   1.582
  475   2HD2  LEU  65          2HD2      LEU  65 -10.076   9.755   2.043
  476   3HD2  LEU  65          3HD2      LEU  65 -10.558   9.990   0.363
  477    H    GLY  66           H        GLY  66 -10.412  14.299  -0.152
  478   1HA   GLY  66          2HA       GLY  66  -9.291  16.322  -0.093
  479   2HA   GLY  66          1HA       GLY  66 -10.448  16.890   1.089
  480    H    ALA  67           H        ALA  67 -10.196  15.583   3.249
  481    HA   ALA  67           HA       ALA  67  -7.805  16.562   4.365
  482   1HB   ALA  67          1HB       ALA  67  -9.736  14.549   5.483
  483   2HB   ALA  67          2HB       ALA  67  -9.885  16.303   5.610
  484   3HB   ALA  67          3HB       ALA  67  -8.548  15.469   6.406
  485    H    GLY  68           H        GLY  68  -8.867  13.170   4.403
  486   1HA   GLY  68          2HA       GLY  68  -6.115  12.405   3.689
  487   2HA   GLY  68          1HA       GLY  68  -6.958  11.605   5.013
  488    H    GLY  69           H        GLY  69  -6.299  11.566   1.729
  489   1HA   GLY  69          2HA       GLY  69  -8.719  10.571   0.661
  490   2HA   GLY  69          1HA       GLY  69  -7.141  10.482  -0.100
  491    H    THR  70           H        THR  70  -7.519   8.404  -0.877
  492    HA   THR  70           HA       THR  70  -6.952   6.324   1.013
  493    HB   THR  70           HB       THR  70  -9.042   5.074  -0.191
  494    HG1  THR  70           1HG      THR  70  -9.630   7.814   0.027
  495   1HG2  THR  70          1HG2      THR  70 -10.135   5.256   1.979
  496   2HG2  THR  70          2HG2      THR  70  -9.095   6.620   2.398
  497   3HG2  THR  70          3HG2      THR  70  -8.396   5.015   2.170
  498    H    GLU  71           H        GLU  71  -5.108   6.147  -0.285
  499    HA   GLU  71           HA       GLU  71  -5.521   4.965  -2.946
  500   1HB   GLU  71          2HB       GLU  71  -2.996   5.886  -1.559
  501   2HB   GLU  71          1HB       GLU  71  -3.090   5.281  -3.207
  502   1HG   GLU  71          2HG       GLU  71  -4.478   7.161  -3.845
  503   2HG   GLU  71          1HG       GLU  71  -4.465   7.752  -2.183
  504    H    HIS  72           H        HIS  72  -5.805   2.758  -2.850
  505    HA   HIS  72           HA       HIS  72  -4.262   1.378  -0.751
  506   1HB   HIS  72          2HB       HIS  72  -6.559  -0.064  -1.950
  507   2HB   HIS  72          1HB       HIS  72  -5.874  -0.140  -0.339
  508    HD1  HIS  72           1HD      HIS  72  -8.398  -0.233   0.374
  509    HD2  HIS  72           2HD      HIS  72  -7.110   3.392  -1.146
  510    HE1  HIS  72           1HE      HIS  72 -10.136   1.418   1.031
  511    HE2  HIS  72           2HE      HIS  72  -9.520   3.522  -0.193
  512    H    PHE  73           H        PHE  73  -3.359  -0.559  -1.147
  513    HA   PHE  73           HA       PHE  73  -3.119  -1.449  -3.940
  514   1HB   PHE  73          2HB       PHE  73  -1.233  -1.523  -1.593
  515   2HB   PHE  73          1HB       PHE  73  -1.005  -2.594  -2.971
  516    HD1  PHE  73           1HD      PHE  73   0.124  -1.841  -4.854
  517    HD2  PHE  73           2HD      PHE  73  -1.346   0.982  -2.035
  518    HE1  PHE  73           1HE      PHE  73   1.311  -0.041  -6.042
  519    HE2  PHE  73           2HE      PHE  73  -0.154   2.785  -3.209
  520    HZ   PHE  73           HZ       PHE  73   1.151   2.289  -5.213
  521    H    HIS  74           H        HIS  74  -4.168  -3.303  -4.339
  522    HA   HIS  74           HA       HIS  74  -4.803  -5.030  -2.031
  523   1HB   HIS  74          2HB       HIS  74  -6.357  -4.333  -4.503
  524   2HB   HIS  74          1HB       HIS  74  -6.678  -5.830  -3.644
  525    HD1  HIS  74           1HD      HIS  74  -9.073  -4.659  -3.436
  526    HD2  HIS  74           2HD      HIS  74  -6.018  -2.962  -1.173
  527    HE1  HIS  74           1HE      HIS  74 -10.215  -3.394  -1.597
  528    HE2  HIS  74           2HE      HIS  74  -8.344  -2.726  -0.055
  529    H    VAL  75           H        VAL  75  -3.278  -6.676  -2.112
  530    HA   VAL  75           HA       VAL  75  -2.930  -7.899  -4.752
  531    HB   VAL  75           HB       VAL  75  -0.742  -7.634  -4.286
  532   1HG1  VAL  75          1HG1      VAL  75  -1.207  -6.354  -2.215
  533   2HG1  VAL  75          2HG1      VAL  75   0.279  -7.309  -2.177
  534   3HG1  VAL  75          3HG1      VAL  75  -1.162  -7.878  -1.322
  535   1HG2  VAL  75          1HG2      VAL  75  -1.236 -10.044  -2.541
  536   2HG2  VAL  75          2HG2      VAL  75   0.297  -9.588  -3.286
  537   3HG2  VAL  75          3HG2      VAL  75  -1.072 -10.056  -4.301
  538    H    THR  76           H        THR  76  -3.977  -9.612  -5.147
  539    HA   THR  76           HA       THR  76  -4.945 -11.265  -2.923
  540    HB   THR  76           HB       THR  76  -5.859 -11.351  -5.810
  541    HG1  THR  76           1HG      THR  76  -6.150  -9.259  -4.586
  542   1HG2  THR  76          1HG2      THR  76  -7.162 -12.266  -3.241
  543   2HG2  THR  76          2HG2      THR  76  -6.434 -13.308  -4.463
  544   3HG2  THR  76          3HG2      THR  76  -7.875 -12.372  -4.852
  545    H    VAL  77           H        VAL  77  -3.402 -12.731  -2.529
  546    HA   VAL  77           HA       VAL  77  -2.708 -14.602  -4.641
  547    HB   VAL  77           HB       VAL  77  -0.920 -12.910  -4.789
  548   1HG1  VAL  77          1HG1      VAL  77  -0.359 -13.603  -1.906
  549   2HG1  VAL  77          2HG1      VAL  77  -0.990 -12.068  -2.504
  550   3HG1  VAL  77          3HG1      VAL  77   0.642 -12.578  -2.934
  551   1HG2  VAL  77          1HG2      VAL  77   0.994 -14.403  -4.553
  552   2HG2  VAL  77          2HG2      VAL  77  -0.385 -15.248  -5.261
  553   3HG2  VAL  77          3HG2      VAL  77   0.029 -15.498  -3.563
  554    H    LYS  78           H        LYS  78  -2.323 -16.670  -3.827
  555    HA   LYS  78           HA       LYS  78  -1.753 -16.803  -0.975
  556   1HB   LYS  78          2HB       LYS  78  -3.159 -18.612  -0.539
  557   2HB   LYS  78          1HB       LYS  78  -4.137 -17.495  -1.465
  558   1HG   LYS  78          2HG       LYS  78  -2.793 -19.924  -2.631
  559   2HG   LYS  78          1HG       LYS  78  -4.453 -19.892  -2.044
  560   1HD   LYS  78          2HD       LYS  78  -5.018 -18.197  -3.699
  561   2HD   LYS  78          1HD       LYS  78  -3.344 -18.175  -4.261
  562   1HE   LYS  78          2HE       LYS  78  -4.719 -19.526  -5.739
  563   2HE   LYS  78          1HE       LYS  78  -3.537 -20.532  -4.905
  564   1HZ   LYS  78          1HZ       LYS  78  -5.270 -21.217  -3.358
  565   2HZ   LYS  78          2HZ       LYS  78  -5.700 -21.583  -4.959
  566   3HZ   LYS  78          3HZ       LYS  78  -6.407 -20.255  -4.177
  567    H    ALA  79           H        ALA  79   0.293 -17.241  -0.950
  568    HA   ALA  79           HA       ALA  79   1.249 -19.782  -1.778
  569   1HB   ALA  79          1HB       ALA  79   2.389 -17.382  -3.221
  570   2HB   ALA  79          2HB       ALA  79   1.369 -18.620  -3.954
  571   3HB   ALA  79          3HB       ALA  79   2.970 -19.042  -3.347
  572    H    ALA  80           H        ALA  80   3.273 -20.256  -0.798
  573    HA   ALA  80           HA       ALA  80   3.619 -18.750   1.623
  574   1HB   ALA  80          1HB       ALA  80   3.752 -21.204   1.576
  575   2HB   ALA  80          2HB       ALA  80   5.207 -20.467   2.249
  576   3HB   ALA  80          3HB       ALA  80   5.217 -21.092   0.601
  577    H    GLY  81           H        GLY  81   4.411 -16.766   1.147
  578   1HA   GLY  81          2HA       GLY  81   7.276 -16.645   0.576
  579   2HA   GLY  81          1HA       GLY  81   6.216 -15.780  -0.532
  580    H    THR  82           H        THR  82   8.097 -14.368   0.906
  581    HA   THR  82           HA       THR  82   6.515 -13.141   3.057
  582    HB   THR  82           HB       THR  82   9.336 -12.351   2.357
  583    HG1  THR  82           1HG      THR  82  10.043 -14.198   3.122
  584   1HG2  THR  82          1HG2      THR  82   7.704 -12.325   4.900
  585   2HG2  THR  82          2HG2      THR  82   8.113 -10.927   3.905
  586   3HG2  THR  82          3HG2      THR  82   9.382 -11.796   4.768
  587    H    HIS  83           H        HIS  83   5.615 -11.206   2.814
  588    HA   HIS  83           HA       HIS  83   5.881  -9.933   0.177
  589   1HB   HIS  83          2HB       HIS  83   3.604 -10.845   1.063
  590   2HB   HIS  83          1HB       HIS  83   3.650  -9.469   2.152
  591    HD1  HIS  83           1HD      HIS  83   4.328  -7.124   0.544
  592    HD2  HIS  83           2HD      HIS  83   2.004 -10.200  -1.013
  593    HE1  HIS  83           1HE      HIS  83   3.035  -6.091  -1.352
  594    HE2  HIS  83           2HE      HIS  83   1.537  -7.941  -2.189
  595    H    ALA  84           H        ALA  84   7.424  -8.386   0.409
  596    HA   ALA  84           HA       ALA  84   7.246  -6.606   2.732
  597   1HB   ALA  84          1HB       ALA  84   9.465  -7.536   2.238
  598   2HB   ALA  84          2HB       ALA  84   9.450  -5.784   2.044
  599   3HB   ALA  84          3HB       ALA  84   9.402  -6.830   0.624
  600    H    VAL  85           H        VAL  85   6.273  -4.693   2.505
  601    HA   VAL  85           HA       VAL  85   5.703  -3.833  -0.260
  602    HB   VAL  85           HB       VAL  85   4.029  -2.936   2.033
  603   1HG1  VAL  85          1HG1      VAL  85   3.400  -3.581  -0.840
  604   2HG1  VAL  85          2HG1      VAL  85   3.676  -1.973  -0.171
  605   3HG1  VAL  85          3HG1      VAL  85   2.273  -2.911   0.340
  606   1HG2  VAL  85          1HG2      VAL  85   2.574  -4.888   1.823
  607   2HG2  VAL  85          2HG2      VAL  85   4.187  -5.334   2.386
  608   3HG2  VAL  85          3HG2      VAL  85   3.727  -5.624   0.707
  609    H    ASN  86           H        ASN  86   7.263  -2.359  -0.618
  610    HA   ASN  86           HA       ASN  86   7.386  -0.052   1.224
  611   1HB   ASN  86          2HB       ASN  86   9.318  -0.946  -0.943
  612   2HB   ASN  86          1HB       ASN  86   9.470   0.552  -0.039
  613   1HD2  ASN  86          1HD2      ASN  86   8.477  -2.544   1.308
  614   2HD2  ASN  86          2HD2      ASN  86   9.872  -2.760   2.305
  615    H    LEU  87           H        LEU  87   5.859   1.302   0.617
  616    HA   LEU  87           HA       LEU  87   5.392   1.725  -2.249
  617   1HB   LEU  87          2HB       LEU  87   3.646   2.340   0.138
  618   2HB   LEU  87          1HB       LEU  87   3.232   2.695  -1.531
  619    HG   LEU  87           HG       LEU  87   3.742  -0.101  -0.514
  620   1HD1  LEU  87          1HD1      LEU  87   1.342  -0.392  -0.469
  621   2HD1  LEU  87          2HD1      LEU  87   1.103   1.285  -0.959
  622   3HD1  LEU  87          3HD1      LEU  87   1.806   0.917   0.618
  623   1HD2  LEU  87          1HD2      LEU  87   2.651  -0.765  -2.566
  624   2HD2  LEU  87          2HD2      LEU  87   4.064   0.235  -2.903
  625   3HD2  LEU  87          3HD2      LEU  87   2.445   0.927  -3.022
  626    H    THR  88           H        THR  88   5.944   3.599  -3.127
  627    HA   THR  88           HA       THR  88   7.139   5.572  -1.327
  628    HB   THR  88           HB       THR  88   7.594   5.350  -4.303
  629    HG1  THR  88           1HG      THR  88   8.257   3.385  -3.540
  630   1HG2  THR  88          1HG2      THR  88   8.321   7.429  -3.183
  631   2HG2  THR  88          2HG2      THR  88   9.694   6.487  -3.764
  632   3HG2  THR  88          3HG2      THR  88   9.274   6.472  -2.051
  633    H    TYR  89           H        TYR  89   6.085   7.303  -0.957
  634    HA   TYR  89           HA       TYR  89   3.783   8.104  -2.515
  635   1HB   TYR  89          2HB       TYR  89   3.911   8.036   0.032
  636   2HB   TYR  89          1HB       TYR  89   4.970   9.434  -0.070
  637    HD1  TYR  89           1HD      TYR  89   2.206   9.096  -2.414
  638    HD2  TYR  89           2HD      TYR  89   3.437  10.731   1.301
  639    HE1  TYR  89           1HE      TYR  89   0.234  10.553  -2.416
  640    HE2  TYR  89           2HE      TYR  89   1.469  12.197   1.311
  641    HH   TYR  89           HH       TYR  89  -1.138  11.782  -0.875
  642    H    MET  90           H        MET  90   4.457   9.049  -4.407
  643    HA   MET  90           HA       MET  90   6.114  11.473  -4.148
  644   1HB   MET  90          2HB       MET  90   6.542   9.809  -6.574
  645   2HB   MET  90          1HB       MET  90   7.634  10.920  -5.772
  646   1HG   MET  90          2HG       MET  90   8.120   9.302  -4.068
  647   2HG   MET  90          1HG       MET  90   6.934   8.186  -4.745
  648   1HE   MET  90          1HE       MET  90   7.169   7.090  -7.177
  649   2HE   MET  90          2HE       MET  90   8.527   7.418  -8.255
  650   3HE   MET  90          3HE       MET  90   7.391   8.705  -7.853
  651    H    ARG  91           H        ARG  91   5.990  12.823  -6.078
  652    HA   ARG  91           HA       ARG  91   3.425  12.979  -7.299
  653   1HB   ARG  91          2HB       ARG  91   5.956  14.466  -7.299
  654   2HB   ARG  91          1HB       ARG  91   5.191  14.419  -8.886
  655   1HG   ARG  91          2HG       ARG  91   3.248  15.500  -8.105
  656   2HG   ARG  91          1HG       ARG  91   3.674  15.213  -6.418
  657   1HD   ARG  91          2HD       ARG  91   5.407  16.891  -8.207
  658   2HD   ARG  91          1HD       ARG  91   4.007  17.576  -7.383
  659    HE   ARG  91           HE       ARG  91   5.648  16.206  -5.530
  660   1HH1  ARG  91          1HH1      ARG  91   5.535  19.110  -7.456
  661   2HH1  ARG  91          2HH1      ARG  91   6.478  20.051  -6.338
  662   1HH2  ARG  91          1HH2      ARG  91   6.911  17.443  -4.021
  663   2HH2  ARG  91          2HH2      ARG  91   7.279  19.099  -4.403
  664    HA   PRO  92           HA       PRO  92   4.260   9.223  -9.544
  665   1HB   PRO  92          2HB       PRO  92   2.262   9.715 -11.487
  666   2HB   PRO  92          1HB       PRO  92   2.125   8.733 -10.029
  667   1HG   PRO  92          2HG       PRO  92   1.294  11.542 -10.505
  668   2HG   PRO  92          1HG       PRO  92   0.582  10.320  -9.438
  669   1HD   PRO  92          2HD       PRO  92   2.019  12.354  -8.462
  670   2HD   PRO  92          1HD       PRO  92   2.123  10.729  -7.748
  671    H    TRP  93           H        TRP  93   3.896  12.233 -11.393
  672    HA   TRP  93           HA       TRP  93   5.080  11.065 -13.737
  673   1HB   TRP  93          2HB       TRP  93   4.872  13.376 -14.665
  674   2HB   TRP  93          1HB       TRP  93   3.362  12.694 -14.074
  675    HD1  TRP  93           HD       TRP  93   5.815  15.519 -13.443
  676    HE1  TRP  93           1HE      TRP  93   4.815  17.141 -11.706
  677    HE3  TRP  93           3HE      TRP  93   1.767  12.758 -12.022
  678    HZ2  TRP  93           2HZ      TRP  93   2.579  17.229  -9.977
  679    HZ3  TRP  93           3HZ      TRP  93   0.245  13.671 -10.325
  680    HH2  TRP  93           HH       TRP  93   0.640  15.866  -9.323
  681    H    THR  94           H        THR  94   6.442  12.119 -10.923
  682    HA   THR  94           HA       THR  94   9.054  12.153 -12.074
  683    HB   THR  94           HB       THR  94   8.655  14.437 -12.593
  684    HG1  THR  94           1HG      THR  94  10.688  14.000 -11.554
  685   1HG2  THR  94          1HG2      THR  94   7.708  14.821  -9.753
  686   2HG2  THR  94          2HG2      THR  94   6.707  14.864 -11.205
  687   3HG2  THR  94          3HG2      THR  94   7.930  16.105 -10.939
  688    H    GLY  95           H        GLY  95   7.541  13.497  -9.113
  689   1HA   GLY  95          2HA       GLY  95   7.712  12.845  -6.907
  690   2HA   GLY  95          1HA       GLY  95   8.437  11.338  -7.482
  691    HA   PRO  96           HA       PRO  96  11.767  15.082  -6.836
  692   1HB   PRO  96          2HB       PRO  96  10.301  15.606  -4.274
  693   2HB   PRO  96          1HB       PRO  96  11.295  16.698  -5.235
  694   1HG   PRO  96          2HG       PRO  96   8.676  16.844  -5.379
  695   2HG   PRO  96          1HG       PRO  96   9.657  17.005  -6.843
  696   1HD   PRO  96          2HD       PRO  96   7.973  14.736  -5.928
  697   2HD   PRO  96          1HD       PRO  96   8.369  15.260  -7.577
  698    H    SER  97           H        SER  97  13.375  13.733  -6.407
  699    HA   SER  97           HA       SER  97  13.181  11.568  -4.548
  700   1HB   SER  97          2HB       SER  97  15.643  12.593  -5.977
  701   2HB   SER  97          1HB       SER  97  15.389  10.975  -5.320
  702    HG   SER  97           HG       SER  97  14.818  10.638  -7.350
  703    H    HIS  98           H        HIS  98  12.664  13.512  -2.973
  704    HA   HIS  98           HA       HIS  98  14.588  13.569  -0.940
  705   1HB   HIS  98          2HB       HIS  98  15.380  15.833  -0.967
  706   2HB   HIS  98          1HB       HIS  98  15.693  15.177  -2.569
  707    HD1  HIS  98           1HD      HIS  98  13.919  17.875  -0.795
  708    HD2  HIS  98           2HD      HIS  98  13.949  16.229  -4.618
  709    HE1  HIS  98           1HE      HIS  98  12.711  19.534  -2.260
  710    HE2  HIS  98           2HE      HIS  98  12.653  18.475  -4.553
  711    H    ASP  99           H        ASP  99  11.681  14.519  -2.458
  712    HA   ASP  99           HA       ASP  99  10.672  15.784   0.000
  713   1HB   ASP  99          2HB       ASP  99  10.619  17.172  -2.026
  714   2HB   ASP  99          1HB       ASP  99   9.697  15.939  -2.869
  715    H    SER 100           H        SER 100  10.574  13.029  -1.933
  716    HA   SER 100           HA       SER 100   7.870  12.240  -1.570
  717   1HB   SER 100          2HB       SER 100   8.816  10.011  -2.413
  718   2HB   SER 100          1HB       SER 100   8.948  11.406  -3.486
  719    HG   SER 100           HG       SER 100  10.892   9.910  -2.877
  720    H    GLU 101           H        GLU 101   6.972  10.800  -0.194
  721    HA   GLU 101           HA       GLU 101   8.592   9.921   2.099
  722   1HB   GLU 101          2HB       GLU 101   6.604  11.298   2.624
  723   2HB   GLU 101          1HB       GLU 101   5.582  10.141   1.789
  724   1HG   GLU 101          2HG       GLU 101   5.482   9.940   4.236
  725   2HG   GLU 101          1HG       GLU 101   6.030   8.464   3.446
  726    H    ARG 102           H        ARG 102   7.752   7.646   2.952
  727    HA   ARG 102           HA       ARG 102   6.805   5.922   0.828
  728   1HB   ARG 102          2HB       ARG 102   9.351   6.231   0.570
  729   2HB   ARG 102          1HB       ARG 102   9.503   5.322   2.062
  730   1HG   ARG 102          2HG       ARG 102   8.516   3.377   1.045
  731   2HG   ARG 102          1HG       ARG 102   8.171   4.283  -0.432
  732   1HD   ARG 102          2HD       ARG 102  10.661   4.699  -0.604
  733   2HD   ARG 102          1HD       ARG 102  10.861   3.519   0.689
  734    HE   ARG 102           HE       ARG 102   9.384   2.636  -1.677
  735   1HH1  ARG 102          1HH1      ARG 102  12.430   2.748   0.053
  736   2HH1  ARG 102          2HH1      ARG 102  13.124   1.411  -0.812
  737   1HH2  ARG 102          1HH2      ARG 102  10.317   0.881  -2.860
  738   2HH2  ARG 102          2HH2      ARG 102  11.921   0.350  -2.449
  739    H    PHE 103           H        PHE 103   5.922   4.131   1.512
  740    HA   PHE 103           HA       PHE 103   5.587   3.766   4.406
  741   1HB   PHE 103          2HB       PHE 103   3.443   4.014   3.550
  742   2HB   PHE 103          1HB       PHE 103   3.879   3.336   1.987
  743    HD1  PHE 103           1HD      PHE 103   2.697   2.650   5.346
  744    HD2  PHE 103           2HD      PHE 103   3.895   0.946   1.641
  745    HE1  PHE 103           1HE      PHE 103   1.674   0.516   5.998
  746    HE2  PHE 103           2HE      PHE 103   2.879  -1.191   2.287
  747    HZ   PHE 103           HZ       PHE 103   1.769  -1.404   4.466
  748    H    THR 104           H        THR 104   5.572   1.515   5.202
  749    HA   THR 104           HA       THR 104   6.632  -0.510   3.468
  750    HB   THR 104           HB       THR 104   8.373   0.573   5.699
  751    HG1  THR 104           1HG      THR 104   8.241   1.151   3.078
  752   1HG2  THR 104          1HG2      THR 104   8.780  -1.804   3.886
  753   2HG2  THR 104          2HG2      THR 104   8.475  -1.850   5.622
  754   3HG2  THR 104          3HG2      THR 104   9.977  -1.156   5.012
  755    H    VAL 105           H        VAL 105   4.929  -1.853   4.134
  756    HA   VAL 105           HA       VAL 105   5.192  -2.708   6.934
  757    HB   VAL 105           HB       VAL 105   2.871  -2.283   6.197
  758   1HG1  VAL 105          1HG1      VAL 105   1.798  -3.764   4.586
  759   2HG1  VAL 105          2HG1      VAL 105   3.342  -4.558   4.276
  760   3HG1  VAL 105          3HG1      VAL 105   3.120  -2.863   3.842
  761   1HG2  VAL 105          1HG2      VAL 105   3.348  -3.934   7.945
  762   2HG2  VAL 105          2HG2      VAL 105   3.432  -5.202   6.725
  763   3HG2  VAL 105          3HG2      VAL 105   1.911  -4.354   7.017
  764    H    TYR 106           H        TYR 106   6.067  -4.584   7.440
  765    HA   TYR 106           HA       TYR 106   7.035  -6.294   5.257
  766   1HB   TYR 106          2HB       TYR 106   7.891  -6.111   8.148
  767   2HB   TYR 106          1HB       TYR 106   8.526  -7.258   6.988
  768    HD1  TYR 106           1HD      TYR 106   9.579  -6.202   4.835
  769    HD2  TYR 106           2HD      TYR 106   9.029  -4.119   8.503
  770    HE1  TYR 106           1HE      TYR 106  11.283  -4.568   4.153
  771    HE2  TYR 106           2HE      TYR 106  10.732  -2.477   7.829
  772    HH   TYR 106           HH       TYR 106  12.743  -2.440   6.246
  773    H    LEU 107           H        LEU 107   5.544  -7.823   4.867
  774    HA   LEU 107           HA       LEU 107   4.427  -9.217   7.195
  775   1HB   LEU 107          2HB       LEU 107   2.269  -9.310   6.138
  776   2HB   LEU 107          1HB       LEU 107   2.791  -7.646   6.245
  777    HG   LEU 107           HG       LEU 107   3.664  -8.454   3.735
  778   1HD1  LEU 107          1HD1      LEU 107   2.305 -10.466   3.875
  779   2HD1  LEU 107          2HD1      LEU 107   1.660  -9.352   2.667
  780   3HD1  LEU 107          3HD1      LEU 107   0.882  -9.491   4.244
  781   1HD2  LEU 107          1HD2      LEU 107   1.162  -6.973   4.512
  782   2HD2  LEU 107          2HD2      LEU 107   1.951  -6.925   2.935
  783   3HD2  LEU 107          3HD2      LEU 107   2.775  -6.274   4.351
  784    H    LYS 108           H        LYS 108   3.859 -11.427   6.837
  785    HA   LYS 108           HA       LYS 108   5.331 -12.631   4.584
  786   1HB   LYS 108          2HB       LYS 108   6.005 -13.392   6.825
  787   2HB   LYS 108          1HB       LYS 108   4.349 -13.858   7.167
  788   1HG   LYS 108          2HG       LYS 108   5.298 -15.872   6.606
  789   2HG   LYS 108          1HG       LYS 108   4.599 -15.350   5.068
  790   1HD   LYS 108          2HD       LYS 108   6.757 -14.498   4.352
  791   2HD   LYS 108          1HD       LYS 108   7.466 -14.965   5.896
  792   1HE   LYS 108          2HE       LYS 108   6.232 -16.857   3.899
  793   2HE   LYS 108          1HE       LYS 108   7.959 -16.578   4.101
  794   1HZ   LYS 108          1HZ       LYS 108   7.365 -18.543   5.278
  795   2HZ   LYS 108          2HZ       LYS 108   6.101 -17.764   6.091
  796   3HZ   LYS 108          3HZ       LYS 108   7.710 -17.345   6.428
  797    H    ALA 109           H        ALA 109   4.096 -13.311   2.911
  798    HA   ALA 109           HA       ALA 109   1.213 -13.510   3.400
  799   1HB   ALA 109          1HB       ALA 109   1.901 -11.788   1.792
  800   2HB   ALA 109          2HB       ALA 109   0.911 -13.027   1.027
  801   3HB   ALA 109          3HB       ALA 109   2.659 -13.027   0.794
  802    H    ASN 110           H        ASN 110   0.202 -15.388   3.190
  803    HA   ASN 110           HA       ASN 110   1.167 -17.458   1.455
  804   1HB   ASN 110          2HB       ASN 110   1.442 -19.145   3.273
  805   2HB   ASN 110          1HB       ASN 110   2.662 -17.877   3.304
  806   1HD2  ASN 110          1HD2      ASN 110   2.585 -16.317   4.943
  807   2HD2  ASN 110          2HD2      ASN 110   1.700 -16.575   6.401
  Start of MODEL    4
    1    H    HIS   3           H        HIS   3  -6.656  -9.993   4.514
    2    HA   HIS   3           HA       HIS   3  -5.716  -9.058   7.107
    3   1HB   HIS   3          2HB       HIS   3  -3.948 -10.643   6.680
    4   2HB   HIS   3          1HB       HIS   3  -3.937 -10.241   4.961
    5    HD1  HIS   3           1HD      HIS   3  -3.249  -8.408   8.236
    6    HD2  HIS   3           2HD      HIS   3  -1.855  -8.645   4.314
    7    HE1  HIS   3           1HE      HIS   3  -1.422  -6.691   8.063
    8    HE2  HIS   3           2HE      HIS   3  -0.699  -6.744   5.650
    9    H    LYS   4           H        LYS   4  -5.134  -6.852   7.019
   10    HA   LYS   4           HA       LYS   4  -4.736  -5.666   4.383
   11   1HB   LYS   4          2HB       LYS   4  -6.275  -3.847   4.757
   12   2HB   LYS   4          1HB       LYS   4  -7.141  -5.372   4.883
   13   1HG   LYS   4          2HG       LYS   4  -7.226  -5.208   7.261
   14   2HG   LYS   4          1HG       LYS   4  -6.135  -3.821   7.255
   15   1HD   LYS   4          2HD       LYS   4  -8.452  -3.122   7.576
   16   2HD   LYS   4          1HD       LYS   4  -7.797  -2.498   6.061
   17   1HE   LYS   4          2HE       LYS   4  -8.873  -4.464   4.917
   18   2HE   LYS   4          1HE       LYS   4  -9.686  -4.806   6.444
   19   1HZ   LYS   4          1HZ       LYS   4 -10.646  -2.564   6.358
   20   2HZ   LYS   4          2HZ       LYS   4 -11.122  -3.525   5.040
   21   3HZ   LYS   4          3HZ       LYS   4  -9.937  -2.327   4.836
   22    H    VAL   5           H        VAL   5  -3.565  -3.710   4.414
   23    HA   VAL   5           HA       VAL   5  -2.416  -3.023   7.034
   24    HB   VAL   5           HB       VAL   5  -1.113  -3.213   4.362
   25   1HG1  VAL   5          1HG1      VAL   5  -0.424  -1.096   6.380
   26   2HG1  VAL   5          2HG1      VAL   5  -0.856  -0.864   4.687
   27   3HG1  VAL   5          3HG1      VAL   5   0.673  -1.641   5.113
   28   1HG2  VAL   5          1HG2      VAL   5  -0.083  -3.501   7.177
   29   2HG2  VAL   5          2HG2      VAL   5   0.734  -3.998   5.695
   30   3HG2  VAL   5          3HG2      VAL   5  -0.742  -4.822   6.205
   31    H    THR   6           H        THR   6  -2.670  -1.063   7.777
   32    HA   THR   6           HA       THR   6  -3.541   1.080   5.985
   33    HB   THR   6           HB       THR   6  -4.228   2.102   8.338
   34    HG1  THR   6           1HG      THR   6  -5.097  -0.384   9.052
   35   1HG2  THR   6          1HG2      THR   6  -5.746   1.742   6.466
   36   2HG2  THR   6          2HG2      THR   6  -6.494   1.181   7.963
   37   3HG2  THR   6          3HG2      THR   6  -5.812   0.016   6.828
   38    H    LYS   7           H        LYS   7  -2.900   3.316   7.033
   39    HA   LYS   7           HA       LYS   7  -0.375   3.842   6.344
   40   1HB   LYS   7          2HB       LYS   7  -2.018   5.553   6.852
   41   2HB   LYS   7          1HB       LYS   7  -1.857   5.224   8.570
   42   1HG   LYS   7          2HG       LYS   7  -0.651   7.256   7.726
   43   2HG   LYS   7          1HG       LYS   7   0.335   6.109   8.633
   44   1HD   LYS   7          2HD       LYS   7   1.303   5.248   6.622
   45   2HD   LYS   7          1HD       LYS   7   0.182   6.170   5.613
   46   1HE   LYS   7          2HE       LYS   7   2.449   7.167   5.725
   47   2HE   LYS   7          1HE       LYS   7   1.194   8.245   6.327
   48   1HZ   LYS   7          1HZ       LYS   7   2.882   6.564   8.104
   49   2HZ   LYS   7          2HZ       LYS   7   1.842   7.821   8.558
   50   3HZ   LYS   7          3HZ       LYS   7   3.258   8.165   7.694
   51    H    ALA   8           H        ALA   8  -1.179   3.015   9.760
   52    HA   ALA   8           HA       ALA   8   1.313   3.663  10.842
   53   1HB   ALA   8          1HB       ALA   8  -0.664   3.198  12.200
   54   2HB   ALA   8          2HB       ALA   8   0.731   2.257  12.726
   55   3HB   ALA   8          3HB       ALA   8  -0.543   1.488  11.781
   56    H    HIS   9           H        HIS   9   0.305   0.783   9.151
   57    HA   HIS   9           HA       HIS   9   2.468  -0.888   9.881
   58   1HB   HIS   9          2HB       HIS   9   0.782  -0.918   7.391
   59   2HB   HIS   9          1HB       HIS   9   1.915  -2.180   7.842
   60    HD1  HIS   9           1HD      HIS   9  -1.459  -0.890   8.494
   61    HD2  HIS   9           2HD      HIS   9   1.066  -3.774  10.061
   62    HE1  HIS   9           1HE      HIS   9  -2.960  -2.533   9.654
   63    HE2  HIS   9           2HE      HIS   9  -1.366  -4.051  10.898
   64    H    ASN  10           H        ASN  10   2.471   1.936   8.138
   65    HA   ASN  10           HA       ASN  10   4.365   1.808   6.185
   66   1HB   ASN  10          2HB       ASN  10   3.381   3.917   6.853
   67   2HB   ASN  10          1HB       ASN  10   4.107   3.797   8.455
   68   1HD2  ASN  10          1HD2      ASN  10   4.627   4.591   5.132
   69   2HD2  ASN  10          2HD2      ASN  10   6.193   5.293   5.331
   70    H    GLY  11           H        GLY  11   4.720   1.003   9.514
   71   1HA   GLY  11          2HA       GLY  11   7.533   0.279   9.005
   72   2HA   GLY  11          1HA       GLY  11   7.143   1.195  10.457
   73    H    ALA  12           H        ALA  12   5.734  -1.625   8.761
   74    HA   ALA  12           HA       ALA  12   5.522  -2.925  11.408
   75   1HB   ALA  12          1HB       ALA  12   3.341  -2.401  10.734
   76   2HB   ALA  12          2HB       ALA  12   3.536  -4.116  10.348
   77   3HB   ALA  12          3HB       ALA  12   3.648  -2.900   9.073
   78    H    THR  13           H        THR  13   5.683  -5.168  11.536
   79    HA   THR  13           HA       THR  13   6.336  -6.729   9.161
   80    HB   THR  13           HB       THR  13   8.064  -6.790  11.654
   81    HG1  THR  13           1HG      THR  13   8.195  -5.291   9.410
   82   1HG2  THR  13          1HG2      THR  13   8.319  -8.321   9.059
   83   2HG2  THR  13          2HG2      THR  13   7.778  -8.996  10.595
   84   3HG2  THR  13          3HG2      THR  13   9.430  -8.398  10.427
   85    H    LEU  14           H        LEU  14   4.843  -8.310   9.194
   86    HA   LEU  14           HA       LEU  14   4.137  -9.663  11.648
   87   1HB   LEU  14          2HB       LEU  14   1.728  -9.083  11.423
   88   2HB   LEU  14          1HB       LEU  14   2.764  -7.753  11.899
   89    HG   LEU  14           HG       LEU  14   2.742  -7.085   9.417
   90   1HD1  LEU  14          1HD1      LEU  14   0.319  -8.866   9.464
   91   2HD1  LEU  14          2HD1      LEU  14   1.822  -9.201   8.607
   92   3HD1  LEU  14          3HD1      LEU  14   0.830  -7.817   8.138
   93   1HD2  LEU  14          1HD2      LEU  14   1.615  -5.809  11.140
   94   2HD2  LEU  14          2HD2      LEU  14   0.240  -6.910  11.088
   95   3HD2  LEU  14          3HD2      LEU  14   0.607  -5.892   9.693
   96    H    THR  15           H        THR  15   2.415 -11.344  11.265
   97    HA   THR  15           HA       THR  15   2.830 -12.553   8.617
   98    HB   THR  15           HB       THR  15   1.991 -13.783  11.248
   99    HG1  THR  15           1HG      THR  15   4.239 -13.422  11.031
  100   1HG2  THR  15          1HG2      THR  15   1.864 -15.916  10.126
  101   2HG2  THR  15          2HG2      THR  15   2.346 -15.181   8.595
  102   3HG2  THR  15          3HG2      THR  15   0.780 -14.778   9.310
  103    H    VAL  16           H        VAL  16   1.082 -13.342   7.428
  104    HA   VAL  16           HA       VAL  16  -1.582 -12.489   8.349
  105    HB   VAL  16           HB       VAL  16  -2.136 -11.550   6.291
  106   1HG1  VAL  16          1HG1      VAL  16  -0.339  -9.966   5.756
  107   2HG1  VAL  16          2HG1      VAL  16   0.784 -10.943   6.703
  108   3HG1  VAL  16          3HG1      VAL  16  -0.576 -10.144   7.494
  109   1HG2  VAL  16          1HG2      VAL  16  -0.832 -11.781   4.235
  110   2HG2  VAL  16          2HG2      VAL  16  -1.415 -13.334   4.834
  111   3HG2  VAL  16          3HG2      VAL  16   0.271 -12.872   5.072
  112    H    ALA  17           H        ALA  17  -3.347 -13.649   7.388
  113    HA   ALA  17           HA       ALA  17  -2.626 -16.230   6.176
  114   1HB   ALA  17          1HB       ALA  17  -5.004 -16.831   6.733
  115   2HB   ALA  17          2HB       ALA  17  -5.123 -15.292   7.589
  116   3HB   ALA  17          3HB       ALA  17  -3.982 -16.520   8.137
  117    H    VAL  18           H        VAL  18  -3.008 -16.429   4.025
  118    HA   VAL  18           HA       VAL  18  -4.622 -14.296   2.786
  119    HB   VAL  18           HB       VAL  18  -3.504 -14.746   0.695
  120   1HG1  VAL  18          1HG1      VAL  18  -1.102 -14.273   1.466
  121   2HG1  VAL  18          2HG1      VAL  18  -1.783 -14.274   3.100
  122   3HG1  VAL  18          3HG1      VAL  18  -2.371 -13.123   1.898
  123   1HG2  VAL  18          1HG2      VAL  18  -1.665 -16.338   0.517
  124   2HG2  VAL  18          2HG2      VAL  18  -3.176 -17.151   0.929
  125   3HG2  VAL  18          3HG2      VAL  18  -1.958 -16.869   2.172
  126    H    GLY  19           H        GLY  19  -5.149 -15.431   0.348
  127   1HA   GLY  19          2HA       GLY  19  -6.231 -17.432  -0.545
  128   2HA   GLY  19          1HA       GLY  19  -6.893 -17.703   1.064
  129    H    GLU  20           H        GLU  20  -7.961 -15.447   1.836
  130    HA   GLU  20           HA       GLU  20 -10.188 -15.026   0.079
  131   1HB   GLU  20          2HB       GLU  20  -9.443 -13.530   2.605
  132   2HB   GLU  20          1HB       GLU  20 -11.013 -13.526   1.815
  133   1HG   GLU  20          2HG       GLU  20  -9.701 -15.934   3.054
  134   2HG   GLU  20          1HG       GLU  20 -10.953 -14.952   3.810
  135    H    LEU  21           H        LEU  21  -8.196 -12.577   1.671
  136    HA   LEU  21           HA       LEU  21  -7.196 -11.446  -0.743
  137   1HB   LEU  21          2HB       LEU  21  -9.462 -10.567  -0.892
  138   2HB   LEU  21          1HB       LEU  21  -9.370  -9.973   0.750
  139    HG   LEU  21           HG       LEU  21  -7.659  -8.348   0.083
  140   1HD1  LEU  21          1HD1      LEU  21  -6.634  -9.594  -1.752
  141   2HD1  LEU  21          2HD1      LEU  21  -7.134  -7.987  -2.274
  142   3HD1  LEU  21          3HD1      LEU  21  -8.100  -9.396  -2.713
  143   1HD2  LEU  21          1HD2      LEU  21  -9.104  -6.904  -1.266
  144   2HD2  LEU  21          2HD2      LEU  21  -9.999  -7.699   0.030
  145   3HD2  LEU  21          3HD2      LEU  21 -10.139  -8.286  -1.627
  146    H    VAL  22           H        VAL  22  -5.368 -10.291  -0.298
  147    HA   VAL  22           HA       VAL  22  -5.061  -9.418   2.498
  148    HB   VAL  22           HB       VAL  22  -3.124 -10.846   0.744
  149   1HG1  VAL  22          1HG1      VAL  22  -2.336  -8.548   2.525
  150   2HG1  VAL  22          2HG1      VAL  22  -1.862  -8.846   0.856
  151   3HG1  VAL  22          3HG1      VAL  22  -1.234  -9.871   2.147
  152   1HG2  VAL  22          1HG2      VAL  22  -2.411 -11.711   2.927
  153   2HG2  VAL  22          2HG2      VAL  22  -4.141 -11.915   2.650
  154   3HG2  VAL  22          3HG2      VAL  22  -3.563 -10.634   3.716
  155    H    GLU  23           H        GLU  23  -5.145  -7.319   2.723
  156    HA   GLU  23           HA       GLU  23  -4.845  -5.700   0.300
  157   1HB   GLU  23          2HB       GLU  23  -6.191  -5.005   2.905
  158   2HB   GLU  23          1HB       GLU  23  -6.143  -4.006   1.462
  159   1HG   GLU  23          2HG       GLU  23  -7.490  -5.635   0.271
  160   2HG   GLU  23          1HG       GLU  23  -7.494  -6.685   1.689
  161    H    ILE  24           H        ILE  24  -3.871  -3.762   0.334
  162    HA   ILE  24           HA       ILE  24  -2.484  -2.848   2.748
  163    HB   ILE  24           HB       ILE  24  -1.409  -2.613  -0.084
  164   1HG1  ILE  24          2HG1      ILE  24  -1.154  -4.899   0.845
  165   2HG1  ILE  24          1HG1      ILE  24   0.392  -4.097   0.586
  166   1HG2  ILE  24          1HG2      ILE  24  -0.907  -0.675   1.300
  167   2HG2  ILE  24          2HG2      ILE  24   0.553  -1.601   0.953
  168   3HG2  ILE  24          3HG2      ILE  24  -0.215  -1.727   2.536
  169   1HD1  ILE  24          1HD1      ILE  24  -1.033  -4.475   3.210
  170   2HD1  ILE  24          2HD1      ILE  24   0.451  -3.547   2.995
  171   3HD1  ILE  24          3HD1      ILE  24   0.441  -5.279   2.667
  172    H    GLN  25           H        GLN  25  -3.048  -0.709   3.163
  173    HA   GLN  25           HA       GLN  25  -4.013   0.875   0.927
  174   1HB   GLN  25          2HB       GLN  25  -6.075   0.062   1.571
  175   2HB   GLN  25          1HB       GLN  25  -5.679   0.096   3.292
  176   1HG   GLN  25          2HG       GLN  25  -5.561   2.709   2.070
  177   2HG   GLN  25          1HG       GLN  25  -7.140   1.957   1.858
  178   1HE2  GLN  25          1HE2      GLN  25  -4.860   3.221   4.164
  179   2HE2  GLN  25          2HE2      GLN  25  -5.939   3.260   5.514
  180    H    LEU  26           H        LEU  26  -3.505   2.909   1.023
  181    HA   LEU  26           HA       LEU  26  -2.416   3.911   3.523
  182   1HB   LEU  26          2HB       LEU  26  -1.749   4.472   0.676
  183   2HB   LEU  26          1HB       LEU  26  -1.521   5.749   1.845
  184    HG   LEU  26           HG       LEU  26   0.563   4.635   1.505
  185   1HD1  LEU  26          1HD1      LEU  26   0.198   5.375   3.753
  186   2HD1  LEU  26          2HD1      LEU  26   1.069   3.840   3.785
  187   3HD1  LEU  26          3HD1      LEU  26  -0.658   3.882   4.147
  188   1HD2  LEU  26          1HD2      LEU  26  -0.278   2.517   0.646
  189   2HD2  LEU  26          2HD2      LEU  26  -0.853   2.084   2.258
  190   3HD2  LEU  26          3HD2      LEU  26   0.876   2.255   1.957
  191    HA   PRO  27           HA       PRO  27  -5.736   6.887   3.361
  192   1HB   PRO  27          2HB       PRO  27  -4.987   8.539   5.277
  193   2HB   PRO  27          1HB       PRO  27  -5.299   6.838   5.667
  194   1HG   PRO  27          2HG       PRO  27  -2.666   8.235   5.221
  195   2HG   PRO  27          1HG       PRO  27  -3.127   7.056   6.476
  196   1HD   PRO  27          2HD       PRO  27  -1.780   6.435   4.144
  197   2HD   PRO  27          1HD       PRO  27  -2.695   5.276   5.131
  198    H    SER  28           H        SER  28  -2.935   7.298   1.903
  199    HA   SER  28           HA       SER  28  -2.017   8.788   0.502
  200   1HB   SER  28          2HB       SER  28  -4.337   9.222  -0.274
  201   2HB   SER  28          1HB       SER  28  -4.490  10.465   0.968
  202    HG   SER  28           HG       SER  28  -2.603  10.445  -1.170
  203    H    ASN  29           H        ASN  29  -3.577  10.611   3.077
  204    HA   ASN  29           HA       ASN  29  -2.899  12.417   4.311
  205   1HB   ASN  29          2HB       ASN  29  -0.047  11.561   4.208
  206   2HB   ASN  29          1HB       ASN  29  -0.990  12.134   5.568
  207   1HD2  ASN  29          1HD2      ASN  29   0.181   9.437   3.888
  208   2HD2  ASN  29          2HD2      ASN  29  -0.500   8.219   4.912
  209    HA   PRO  30           HA       PRO  30  -1.393  13.805   0.023
  210   1HB   PRO  30          2HB       PRO  30  -3.438  15.882   0.694
  211   2HB   PRO  30          1HB       PRO  30  -3.096  15.098  -0.857
  212   1HG   PRO  30          2HG       PRO  30  -5.173  14.285   0.527
  213   2HG   PRO  30          1HG       PRO  30  -4.076  13.079  -0.182
  214   1HD   PRO  30          2HD       PRO  30  -4.246  14.019   2.652
  215   2HD   PRO  30          1HD       PRO  30  -4.064  12.371   2.021
  216    H    THR  31           H        THR  31   0.539  14.581   0.277
  217    HA   THR  31           HA       THR  31   1.078  16.830   2.021
  218    HB   THR  31           HB       THR  31   3.367  16.358   1.709
  219    HG1  THR  31           1HG      THR  31   4.157  15.189  -0.079
  220   1HG2  THR  31          1HG2      THR  31   2.023  13.674   1.276
  221   2HG2  THR  31          2HG2      THR  31   2.119  14.509   2.834
  222   3HG2  THR  31          3HG2      THR  31   3.594  13.968   2.033
  223    H    THR  32           H        THR  32   1.002  16.024  -1.379
  224    HA   THR  32           HA       THR  32   0.089  18.427  -2.344
  225    HB   THR  32           HB       THR  32   2.181  19.474  -1.688
  226    HG1  THR  32           1HG      THR  32   1.397  20.269  -3.629
  227   1HG2  THR  32          1HG2      THR  32   3.635  17.527  -1.625
  228   2HG2  THR  32          2HG2      THR  32   4.339  18.801  -2.625
  229   3HG2  THR  32          3HG2      THR  32   3.569  17.406  -3.382
  230    H    GLY  33           H        GLY  33   2.173  18.021  -4.726
  231   1HA   GLY  33          2HA       GLY  33   0.525  16.473  -6.363
  232   2HA   GLY  33          1HA       GLY  33   2.209  16.830  -6.692
  233    H    PHE  34           H        PHE  34   3.256  15.448  -4.378
  234    HA   PHE  34           HA       PHE  34   3.666  12.884  -5.255
  235   1HB   PHE  34          2HB       PHE  34   3.548  13.706  -2.354
  236   2HB   PHE  34          1HB       PHE  34   4.448  12.359  -3.032
  237    HD1  PHE  34           1HD      PHE  34   4.550  15.740  -2.033
  238    HD2  PHE  34           2HD      PHE  34   6.312  12.957  -4.710
  239    HE1  PHE  34           1HE      PHE  34   6.521  17.194  -2.239
  240    HE2  PHE  34           2HE      PHE  34   8.280  14.399  -4.920
  241    HZ   PHE  34           HZ       PHE  34   8.390  16.522  -3.687
  242    H    ALA  35           H        ALA  35   2.839  10.866  -4.762
  243    HA   ALA  35           HA       ALA  35   0.477  10.562  -3.101
  244   1HB   ALA  35          1HB       ALA  35  -0.875   9.562  -4.873
  245   2HB   ALA  35          2HB       ALA  35   0.411   9.852  -6.046
  246   3HB   ALA  35          3HB       ALA  35  -0.437  11.215  -5.313
  247    H    TRP  36           H        TRP  36  -0.094   8.181  -2.915
  248    HA   TRP  36           HA       TRP  36   2.395   6.718  -2.637
  249   1HB   TRP  36          2HB       TRP  36  -0.419   5.894  -1.878
  250   2HB   TRP  36          1HB       TRP  36   1.041   4.970  -1.546
  251    HD1  TRP  36           HD       TRP  36  -1.028   7.842  -0.199
  252    HE1  TRP  36           1HE      TRP  36  -0.071   8.523   2.075
  253    HE3  TRP  36           3HE      TRP  36   3.327   5.198  -0.343
  254    HZ2  TRP  36           2HZ      TRP  36   2.208   7.987   3.629
  255    HZ3  TRP  36           3HZ      TRP  36   4.858   5.330   1.567
  256    HH2  TRP  36           HH       TRP  36   4.316   6.714   3.519
  257    H    TYR  37           H        TYR  37   3.190   5.512  -4.191
  258    HA   TYR  37           HA       TYR  37   1.592   3.370  -5.226
  259   1HB   TYR  37          2HB       TYR  37   2.543   3.845  -7.602
  260   2HB   TYR  37          1HB       TYR  37   1.089   4.678  -7.081
  261    HD1  TYR  37           1HD      TYR  37   1.017   6.922  -7.751
  262    HD2  TYR  37           2HD      TYR  37   4.746   5.175  -6.715
  263    HE1  TYR  37           1HE      TYR  37   2.140   9.031  -8.251
  264    HE2  TYR  37           2HE      TYR  37   5.863   7.278  -7.207
  265    HH   TYR  37           HH       TYR  37   4.250  10.162  -7.631
  266    H    PHE  38           H        PHE  38   2.909   1.586  -5.990
  267    HA   PHE  38           HA       PHE  38   4.885   0.937  -4.267
  268   1HB   PHE  38          2HB       PHE  38   4.000  -0.130  -6.797
  269   2HB   PHE  38          1HB       PHE  38   5.738  -0.321  -6.588
  270    HD1  PHE  38           1HD      PHE  38   2.479  -1.484  -5.631
  271    HD2  PHE  38           2HD      PHE  38   6.591  -1.517  -4.560
  272    HE1  PHE  38           1HE      PHE  38   2.081  -3.444  -4.197
  273    HE2  PHE  38           2HE      PHE  38   6.209  -3.480  -3.130
  274    HZ   PHE  38           HZ       PHE  38   3.954  -4.422  -2.908
  275    H    GLU  39           H        GLU  39   5.792   1.661  -7.648
  276    HA   GLU  39           HA       GLU  39   7.983   3.277  -6.593
  277   1HB   GLU  39          2HB       GLU  39   9.549   2.199  -8.236
  278   2HB   GLU  39          1HB       GLU  39   9.074   1.204  -6.869
  279   1HG   GLU  39          2HG       GLU  39   7.501  -0.002  -8.261
  280   2HG   GLU  39          1HG       GLU  39   7.897   1.034  -9.634
  281    H    GLY  40           H        GLY  40   5.371   3.495  -8.321
  282   1HA   GLY  40          2HA       GLY  40   5.360   5.863  -9.221
  283   2HA   GLY  40          1HA       GLY  40   6.694   5.341 -10.237
  284    H    GLY  41           H        GLY  41   3.246   5.106  -9.657
  285   1HA   GLY  41          2HA       GLY  41   1.512   4.391 -10.988
  286   2HA   GLY  41          1HA       GLY  41   2.541   4.832 -12.343
  287    H    THR  42           H        THR  42   3.889   2.544 -10.278
  288    HA   THR  42           HA       THR  42   3.091   0.282 -11.962
  289    HB   THR  42           HB       THR  42   5.959   0.754 -11.145
  290    HG1  THR  42           1HG      THR  42   5.174   2.435 -12.611
  291   1HG2  THR  42          1HG2      THR  42   6.447  -0.884 -12.879
  292   2HG2  THR  42          2HG2      THR  42   4.734  -0.992 -13.279
  293   3HG2  THR  42          3HG2      THR  42   5.309  -1.546 -11.707
  294    H    LYS  43           H        LYS  43   3.015  -1.659 -10.844
  295    HA   LYS  43           HA       LYS  43   3.723  -1.620  -8.011
  296   1HB   LYS  43          2HB       LYS  43   1.635  -1.405  -7.265
  297   2HB   LYS  43          1HB       LYS  43   1.181  -0.966  -8.895
  298   1HG   LYS  43          2HG       LYS  43   1.167  -3.822  -7.963
  299   2HG   LYS  43          1HG       LYS  43  -0.223  -2.750  -7.791
  300   1HD   LYS  43          2HD       LYS  43  -0.399  -2.469 -10.158
  301   2HD   LYS  43          1HD       LYS  43   1.141  -3.287 -10.424
  302   1HE   LYS  43          2HE       LYS  43   0.104  -5.341  -9.412
  303   2HE   LYS  43          1HE       LYS  43  -1.439  -4.490  -9.449
  304   1HZ   LYS  43          1HZ       LYS  43  -1.225  -5.877 -11.384
  305   2HZ   LYS  43          2HZ       LYS  43   0.258  -5.168 -11.789
  306   3HZ   LYS  43          3HZ       LYS  43  -1.167  -4.252 -11.867
  307    H    GLU  44           H        GLU  44   4.176  -3.651  -7.174
  308    HA   GLU  44           HA       GLU  44   3.612  -5.972  -8.868
  309   1HB   GLU  44          2HB       GLU  44   5.879  -6.826  -8.619
  310   2HB   GLU  44          1HB       GLU  44   5.898  -5.259  -9.414
  311   1HG   GLU  44          2HG       GLU  44   6.704  -4.176  -7.477
  312   2HG   GLU  44          1HG       GLU  44   6.376  -5.582  -6.467
  313    H    SER  45           H        SER  45   3.488  -7.961  -7.781
  314    HA   SER  45           HA       SER  45   3.506  -7.808  -4.837
  315   1HB   SER  45          2HB       SER  45   1.442  -8.676  -5.999
  316   2HB   SER  45          1HB       SER  45   2.403 -10.029  -6.589
  317    HG   SER  45           HG       SER  45   1.629 -10.834  -4.767
  318    HA   PRO  46           HA       PRO  46   7.404  -9.939  -5.002
  319   1HB   PRO  46          2HB       PRO  46   7.010 -10.591  -2.184
  320   2HB   PRO  46          1HB       PRO  46   8.179  -9.495  -2.922
  321   1HG   PRO  46          2HG       PRO  46   6.107  -8.619  -1.421
  322   2HG   PRO  46          1HG       PRO  46   6.771  -7.685  -2.774
  323   1HD   PRO  46          2HD       PRO  46   4.306  -9.390  -2.674
  324   2HD   PRO  46          1HD       PRO  46   4.550  -7.803  -3.437
  325    H    ASN  47           H        ASN  47   4.794 -11.485  -5.413
  326    HA   ASN  47           HA       ASN  47   5.864 -14.055  -5.598
  327   1HB   ASN  47          2HB       ASN  47   5.562 -13.841  -3.041
  328   2HB   ASN  47          1HB       ASN  47   3.839 -13.941  -3.378
  329   1HD2  ASN  47          1HD2      ASN  47   3.708 -15.867  -2.201
  330   2HD2  ASN  47          2HD2      ASN  47   4.280 -17.365  -2.848
  331    H    GLU  48           H        GLU  48   4.574 -12.504  -7.352
  332    HA   GLU  48           HA       GLU  48   1.910 -13.732  -7.555
  333   1HB   GLU  48          2HB       GLU  48   1.140 -11.846  -8.788
  334   2HB   GLU  48          1HB       GLU  48   1.914 -11.255  -7.327
  335   1HG   GLU  48          2HG       GLU  48   3.785 -10.469  -8.510
  336   2HG   GLU  48          1HG       GLU  48   3.330 -11.355  -9.967
  337    H    SER  49           H        SER  49   1.727 -15.206  -8.989
  338    HA   SER  49           HA       SER  49   2.894 -14.816 -11.632
  339   1HB   SER  49          2HB       SER  49   4.383 -16.381 -10.348
  340   2HB   SER  49          1HB       SER  49   3.012 -17.473 -10.176
  341    HG   SER  49           HG       SER  49   4.070 -16.588 -12.658
  342    H    MET  50           H        MET  50   0.681 -16.576  -9.534
  343    HA   MET  50           HA       MET  50  -1.158 -16.879 -11.791
  344   1HB   MET  50          2HB       MET  50  -2.272 -18.609 -10.553
  345   2HB   MET  50          1HB       MET  50  -0.555 -18.939 -10.642
  346   1HG   MET  50          2HG       MET  50  -2.040 -17.842  -8.263
  347   2HG   MET  50          1HG       MET  50  -1.439 -19.484  -8.450
  348   1HE   MET  50          1HE       MET  50  -0.859 -17.693  -5.905
  349   2HE   MET  50          2HE       MET  50   0.857 -18.002  -5.643
  350   3HE   MET  50          3HE       MET  50  -0.218 -19.326  -6.092
  351    H    PHE  51           H        PHE  51  -0.830 -15.685  -8.544
  352    HA   PHE  51           HA       PHE  51  -3.384 -14.265  -8.792
  353   1HB   PHE  51          2HB       PHE  51  -1.862 -15.373  -6.474
  354   2HB   PHE  51          1HB       PHE  51  -2.838 -13.935  -6.203
  355    HD1  PHE  51           1HD      PHE  51  -3.155 -17.254  -7.895
  356    HD2  PHE  51           2HD      PHE  51  -4.982 -14.281  -5.458
  357    HE1  PHE  51           1HE      PHE  51  -5.139 -18.684  -7.646
  358    HE2  PHE  51           2HE      PHE  51  -6.974 -15.705  -5.211
  359    HZ   PHE  51           HZ       PHE  51  -7.100 -17.856  -6.368
  360    H    THR  52           H        THR  52  -3.225 -11.978  -7.613
  361    HA   THR  52           HA       THR  52  -0.766 -10.631  -8.208
  362    HB   THR  52           HB       THR  52  -1.523 -11.242 -10.479
  363    HG1  THR  52           1HG      THR  52  -0.284  -9.400 -10.395
  364   1HG2  THR  52          1HG2      THR  52  -3.473 -10.104 -11.442
  365   2HG2  THR  52          2HG2      THR  52  -3.866  -9.451  -9.853
  366   3HG2  THR  52          3HG2      THR  52  -3.926 -11.193 -10.129
  367    H    VAL  53           H        VAL  53  -1.200  -8.188  -8.503
  368    HA   VAL  53           HA       VAL  53  -2.813  -7.388  -6.184
  369    HB   VAL  53           HB       VAL  53  -0.744  -5.765  -7.672
  370   1HG1  VAL  53          1HG1      VAL  53  -0.574  -4.502  -5.587
  371   2HG1  VAL  53          2HG1      VAL  53  -1.846  -5.500  -4.883
  372   3HG1  VAL  53          3HG1      VAL  53  -2.204  -4.454  -6.258
  373   1HG2  VAL  53          1HG2      VAL  53   0.338  -7.781  -6.940
  374   2HG2  VAL  53          2HG2      VAL  53  -0.323  -7.585  -5.316
  375   3HG2  VAL  53          3HG2      VAL  53   0.857  -6.429  -5.931
  376    H    GLU  54           H        GLU  54  -4.379  -5.848  -6.312
  377    HA   GLU  54           HA       GLU  54  -4.851  -4.504  -8.894
  378   1HB   GLU  54          2HB       GLU  54  -7.121  -4.023  -8.014
  379   2HB   GLU  54          1HB       GLU  54  -6.804  -5.751  -8.106
  380   1HG   GLU  54          2HG       GLU  54  -6.570  -5.945  -5.787
  381   2HG   GLU  54          1HG       GLU  54  -6.379  -4.209  -5.571
  382    H    ASN  55           H        ASN  55  -4.541  -2.312  -8.970
  383    HA   ASN  55           HA       ASN  55  -4.014  -1.046  -6.375
  384   1HB   ASN  55          2HB       ASN  55  -2.499   0.446  -7.260
  385   2HB   ASN  55          1HB       ASN  55  -2.115  -1.060  -8.074
  386   1HD2  ASN  55          1HD2      ASN  55  -4.267  -0.840 -10.070
  387   2HD2  ASN  55          2HD2      ASN  55  -3.794   0.434 -11.126
  388    H    LYS  56           H        LYS  56  -5.071   0.663  -5.696
  389    HA   LYS  56           HA       LYS  56  -6.972   2.041  -7.363
  390   1HB   LYS  56          2HB       LYS  56  -8.752   1.225  -5.517
  391   2HB   LYS  56          1HB       LYS  56  -8.552   0.437  -7.076
  392   1HG   LYS  56          2HG       LYS  56  -8.343  -1.427  -5.857
  393   2HG   LYS  56          1HG       LYS  56  -6.699  -0.853  -5.577
  394   1HD   LYS  56          2HD       LYS  56  -7.814  -1.545  -3.496
  395   2HD   LYS  56          1HD       LYS  56  -7.380   0.167  -3.484
  396   1HE   LYS  56          2HE       LYS  56  -9.661  -0.393  -2.593
  397   2HE   LYS  56          1HE       LYS  56  -9.604   0.833  -3.851
  398   1HZ   LYS  56          1HZ       LYS  56 -10.264  -2.031  -4.309
  399   2HZ   LYS  56          2HZ       LYS  56 -10.329  -0.790  -5.464
  400   3HZ   LYS  56          3HZ       LYS  56 -11.409  -0.792  -4.159
  401    H    TYR  57           H        TYR  57  -6.476   4.018  -6.698
  402    HA   TYR  57           HA       TYR  57  -6.505   4.491  -3.818
  403   1HB   TYR  57          2HB       TYR  57  -4.630   6.236  -4.436
  404   2HB   TYR  57          1HB       TYR  57  -4.266   4.584  -3.993
  405    HD1  TYR  57           1HD      TYR  57  -4.689   6.797  -6.956
  406    HD2  TYR  57           2HD      TYR  57  -3.063   3.197  -5.380
  407    HE1  TYR  57           1HE      TYR  57  -3.396   6.478  -9.022
  408    HE2  TYR  57           2HE      TYR  57  -1.775   2.866  -7.445
  409    HH   TYR  57           HH       TYR  57  -1.916   3.559  -9.829
  410    H    PHE  58           H        PHE  58  -7.532   6.194  -3.131
  411    HA   PHE  58           HA       PHE  58  -8.478   8.220  -5.039
  412   1HB   PHE  58          2HB       PHE  58 -10.178   6.728  -3.018
  413   2HB   PHE  58          1HB       PHE  58 -10.735   8.040  -4.060
  414    HD1  PHE  58           1HD      PHE  58 -10.104   4.511  -3.772
  415    HD2  PHE  58           2HD      PHE  58 -10.833   7.667  -6.536
  416    HE1  PHE  58           1HE      PHE  58 -10.716   2.861  -5.488
  417    HE2  PHE  58           2HE      PHE  58 -11.449   6.019  -8.258
  418    HZ   PHE  58           HZ       PHE  58 -11.391   3.613  -7.734
  419    HA   PRO  59           HA       PRO  59  -7.031  10.587  -1.366
  420   1HB   PRO  59          2HB       PRO  59  -7.245  12.682  -3.480
  421   2HB   PRO  59          1HB       PRO  59  -5.944  12.381  -2.320
  422   1HG   PRO  59          2HG       PRO  59  -5.587  11.692  -4.829
  423   2HG   PRO  59          1HG       PRO  59  -5.107  10.568  -3.550
  424   1HD   PRO  59          2HD       PRO  59  -7.613  10.547  -5.218
  425   2HD   PRO  59          1HD       PRO  59  -6.499   9.207  -4.857
  426    HA   PRO  60           HA       PRO  60 -10.589  12.531   0.322
  427   1HB   PRO  60          2HB       PRO  60  -9.470  15.218  -0.377
  428   2HB   PRO  60          1HB       PRO  60 -10.232  14.670   1.127
  429   1HG   PRO  60          2HG       PRO  60  -7.609  14.796   1.002
  430   2HG   PRO  60          1HG       PRO  60  -8.389  13.378   1.733
  431   1HD   PRO  60          2HD       PRO  60  -7.089  13.656  -0.945
  432   2HD   PRO  60          1HD       PRO  60  -7.096  12.274   0.171
  433    H    ASP  61           H        ASP  61 -12.354  14.072   0.059
  434    HA   ASP  61           HA       ASP  61 -13.233  14.988  -2.472
  435   1HB   ASP  61          2HB       ASP  61 -13.332  12.585  -3.012
  436   2HB   ASP  61          1HB       ASP  61 -14.233  12.294  -1.524
  437    H    SER  62           H        SER  62 -14.857  13.048  -0.059
  438    HA   SER  62           HA       SER  62 -15.487  15.082   1.737
  439   1HB   SER  62          2HB       SER  62 -17.025  15.852  -0.040
  440   2HB   SER  62          1HB       SER  62 -17.782  14.261  -0.070
  441    HG   SER  62           HG       SER  62 -17.771  16.146   2.063
  442    H    LYS  63           H        LYS  63 -17.799  12.654   0.726
  443    HA   LYS  63           HA       LYS  63 -17.579  11.265   3.238
  444   1HB   LYS  63          2HB       LYS  63 -19.452   9.976   2.528
  445   2HB   LYS  63          1HB       LYS  63 -19.746  11.621   1.994
  446   1HG   LYS  63          2HG       LYS  63 -18.907   9.268   0.317
  447   2HG   LYS  63          1HG       LYS  63 -20.424  10.165   0.245
  448   1HD   LYS  63          2HD       LYS  63 -19.103  12.181  -0.416
  449   2HD   LYS  63          1HD       LYS  63 -17.668  11.137  -0.501
  450   1HE   LYS  63          2HE       LYS  63 -18.606   9.885  -2.296
  451   2HE   LYS  63          1HE       LYS  63 -20.198  10.610  -2.069
  452   1HZ   LYS  63          1HZ       LYS  63 -19.045  11.568  -3.968
  453   2HZ   LYS  63          2HZ       LYS  63 -17.761  12.060  -2.974
  454   3HZ   LYS  63          3HZ       LYS  63 -19.303  12.737  -2.769
  455    H    LEU  64           H        LEU  64 -16.224  10.943   0.083
  456    HA   LEU  64           HA       LEU  64 -15.582   8.248  -0.047
  457   1HB   LEU  64          2HB       LEU  64 -15.090   9.942  -1.821
  458   2HB   LEU  64          1HB       LEU  64 -13.783  10.545  -0.816
  459    HG   LEU  64           HG       LEU  64 -12.649   8.369  -0.984
  460   1HD1  LEU  64          1HD1      LEU  64 -13.416   6.725  -2.627
  461   2HD1  LEU  64          2HD1      LEU  64 -14.872   7.679  -2.899
  462   3HD1  LEU  64          3HD1      LEU  64 -14.586   6.937  -1.324
  463   1HD2  LEU  64          1HD2      LEU  64 -11.965   8.591  -3.313
  464   2HD2  LEU  64          2HD2      LEU  64 -12.102  10.167  -2.533
  465   3HD2  LEU  64          3HD2      LEU  64 -13.365   9.613  -3.632
  466    H    LEU  65           H        LEU  65 -13.769  10.912   1.379
  467    HA   LEU  65           HA       LEU  65 -13.181   9.350   3.642
  468   1HB   LEU  65          2HB       LEU  65 -11.399   8.794   1.789
  469   2HB   LEU  65          1HB       LEU  65 -10.722  10.341   2.245
  470    HG   LEU  65           HG       LEU  65  -9.523   8.568   3.356
  471   1HD1  LEU  65          1HD1      LEU  65  -9.751  10.608   4.627
  472   2HD1  LEU  65          2HD1      LEU  65  -9.795   9.212   5.708
  473   3HD1  LEU  65          3HD1      LEU  65 -11.288  10.057   5.293
  474   1HD2  LEU  65          1HD2      LEU  65 -12.170   7.747   4.545
  475   2HD2  LEU  65          2HD2      LEU  65 -10.594   7.051   4.930
  476   3HD2  LEU  65          3HD2      LEU  65 -11.269   6.868   3.309
  477    H    GLY  66           H        GLY  66 -11.615  12.026   2.011
  478   1HA   GLY  66          2HA       GLY  66 -11.796  14.314   2.385
  479   2HA   GLY  66          1HA       GLY  66 -12.932  13.979   3.681
  480    H    ALA  67           H        ALA  67 -11.744  12.663   5.524
  481    HA   ALA  67           HA       ALA  67 -10.233  14.469   6.952
  482   1HB   ALA  67          1HB       ALA  67  -9.755  12.638   8.487
  483   2HB   ALA  67          2HB       ALA  67 -10.239  11.469   7.256
  484   3HB   ALA  67          3HB       ALA  67 -11.429  12.578   7.936
  485    H    GLY  68           H        GLY  68  -9.083  11.809   4.939
  486   1HA   GLY  68          2HA       GLY  68  -6.456  13.086   4.881
  487   2HA   GLY  68          1HA       GLY  68  -6.538  11.408   5.399
  488    H    GLY  69           H        GLY  69  -8.179  10.190   3.771
  489   1HA   GLY  69          2HA       GLY  69  -8.617  10.392   1.231
  490   2HA   GLY  69          1HA       GLY  69  -6.859  10.505   1.170
  491    H    THR  70           H        THR  70  -7.456   8.456  -0.230
  492    HA   THR  70           HA       THR  70  -6.955   6.175   1.453
  493    HB   THR  70           HB       THR  70  -9.066   5.236  -0.114
  494    HG1  THR  70           1HG      THR  70  -9.649   7.529  -0.296
  495   1HG2  THR  70          1HG2      THR  70  -8.422   4.465   2.104
  496   2HG2  THR  70          2HG2      THR  70 -10.128   4.923   2.097
  497   3HG2  THR  70          3HG2      THR  70  -8.923   6.001   2.809
  498    H    GLU  71           H        GLU  71  -5.048   6.086   0.236
  499    HA   GLU  71           HA       GLU  71  -5.381   5.261  -2.556
  500   1HB   GLU  71          2HB       GLU  71  -2.907   6.165  -1.064
  501   2HB   GLU  71          1HB       GLU  71  -2.943   5.681  -2.754
  502   1HG   GLU  71          2HG       GLU  71  -4.617   7.530  -3.125
  503   2HG   GLU  71          1HG       GLU  71  -4.238   8.079  -1.495
  504    H    HIS  72           H        HIS  72  -5.613   3.044  -2.694
  505    HA   HIS  72           HA       HIS  72  -4.097   1.509  -0.687
  506   1HB   HIS  72          2HB       HIS  72  -6.363   0.102  -1.926
  507   2HB   HIS  72          1HB       HIS  72  -5.746   0.068  -0.288
  508    HD1  HIS  72           1HD      HIS  72  -8.162   0.019   0.559
  509    HD2  HIS  72           2HD      HIS  72  -7.129   3.494  -1.448
  510    HE1  HIS  72           1HE      HIS  72 -10.027   1.608   0.970
  511    HE2  HIS  72           2HE      HIS  72  -9.541   3.587  -0.504
  512    H    PHE  73           H        PHE  73  -3.628  -0.657  -1.191
  513    HA   PHE  73           HA       PHE  73  -3.297  -1.367  -4.008
  514   1HB   PHE  73          2HB       PHE  73  -1.184  -1.081  -1.891
  515   2HB   PHE  73          1HB       PHE  73  -0.969  -2.258  -3.185
  516    HD1  PHE  73           1HD      PHE  73  -0.486  -1.539  -5.439
  517    HD2  PHE  73           2HD      PHE  73  -1.234   1.300  -2.355
  518    HE1  PHE  73           1HE      PHE  73   0.396   0.252  -6.874
  519    HE2  PHE  73           2HE      PHE  73  -0.359   3.095  -3.790
  520    HZ   PHE  73           HZ       PHE  73   0.420   2.551  -6.096
  521    H    HIS  74           H        HIS  74  -4.569  -3.201  -4.046
  522    HA   HIS  74           HA       HIS  74  -4.550  -4.890  -1.624
  523   1HB   HIS  74          2HB       HIS  74  -6.556  -4.767  -3.888
  524   2HB   HIS  74          1HB       HIS  74  -6.646  -5.875  -2.530
  525    HD1  HIS  74           1HD      HIS  74  -9.042  -4.307  -2.843
  526    HD2  HIS  74           2HD      HIS  74  -5.769  -2.748  -0.794
  527    HE1  HIS  74           1HE      HIS  74  -9.970  -2.551  -1.320
  528    HE2  HIS  74           2HE      HIS  74  -8.026  -1.897   0.129
  529    H    VAL  75           H        VAL  75  -3.515  -6.805  -1.728
  530    HA   VAL  75           HA       VAL  75  -2.974  -7.813  -4.430
  531    HB   VAL  75           HB       VAL  75  -1.021  -8.912  -3.667
  532   1HG1  VAL  75          1HG1      VAL  75  -1.091  -6.273  -2.216
  533   2HG1  VAL  75          2HG1      VAL  75  -0.790  -6.480  -3.940
  534   3HG1  VAL  75          3HG1      VAL  75   0.347  -7.140  -2.764
  535   1HG2  VAL  75          1HG2      VAL  75  -0.325  -8.993  -1.318
  536   2HG2  VAL  75          2HG2      VAL  75  -1.834  -9.864  -1.615
  537   3HG2  VAL  75          3HG2      VAL  75  -1.871  -8.267  -0.859
  538    H    THR  76           H        THR  76  -4.038  -9.513  -5.071
  539    HA   THR  76           HA       THR  76  -5.342 -11.210  -3.063
  540    HB   THR  76           HB       THR  76  -5.796 -11.266  -6.061
  541    HG1  THR  76           1HG      THR  76  -6.464  -9.315  -4.330
  542   1HG2  THR  76          1HG2      THR  76  -7.500 -12.151  -3.726
  543   2HG2  THR  76          2HG2      THR  76  -6.593 -13.210  -4.803
  544   3HG2  THR  76          3HG2      THR  76  -7.945 -12.269  -5.430
  545    H    VAL  77           H        VAL  77  -3.948 -12.759  -2.491
  546    HA   VAL  77           HA       VAL  77  -2.814 -14.465  -4.545
  547    HB   VAL  77           HB       VAL  77  -1.039 -12.855  -4.338
  548   1HG1  VAL  77          1HG1      VAL  77  -1.657 -11.836  -2.226
  549   2HG1  VAL  77          2HG1      VAL  77   0.031 -12.340  -2.179
  550   3HG1  VAL  77          3HG1      VAL  77  -1.200 -13.301  -1.357
  551   1HG2  VAL  77          1HG2      VAL  77  -0.325 -15.295  -2.706
  552   2HG2  VAL  77          2HG2      VAL  77   0.813 -14.229  -3.531
  553   3HG2  VAL  77          3HG2      VAL  77  -0.326 -15.195  -4.469
  554    H    LYS  78           H        LYS  78  -2.621 -16.560  -3.871
  555    HA   LYS  78           HA       LYS  78  -2.433 -16.997  -0.992
  556   1HB   LYS  78          2HB       LYS  78  -3.616 -19.301  -1.653
  557   2HB   LYS  78          1HB       LYS  78  -4.506 -17.884  -1.126
  558   1HG   LYS  78          2HG       LYS  78  -5.696 -18.633  -2.972
  559   2HG   LYS  78          1HG       LYS  78  -4.716 -17.322  -3.621
  560   1HD   LYS  78          2HD       LYS  78  -4.712 -19.211  -5.141
  561   2HD   LYS  78          1HD       LYS  78  -3.100 -18.969  -4.469
  562   1HE   LYS  78          2HE       LYS  78  -3.722 -21.341  -4.551
  563   2HE   LYS  78          1HE       LYS  78  -3.455 -20.784  -2.900
  564   1HZ   LYS  78          1HZ       LYS  78  -5.443 -22.220  -3.211
  565   2HZ   LYS  78          2HZ       LYS  78  -6.146 -20.985  -4.142
  566   3HZ   LYS  78          3HZ       LYS  78  -5.775 -20.716  -2.509
  567    H    ALA  79           H        ALA  79  -0.364 -17.425  -0.803
  568    HA   ALA  79           HA       ALA  79   0.707 -19.860  -1.775
  569   1HB   ALA  79          1HB       ALA  79   1.868 -17.320  -2.928
  570   2HB   ALA  79          2HB       ALA  79   0.985 -18.554  -3.830
  571   3HB   ALA  79          3HB       ALA  79   2.548 -18.938  -3.110
  572    H    ALA  80           H        ALA  80   2.582 -20.431  -0.647
  573    HA   ALA  80           HA       ALA  80   3.004 -18.979   1.791
  574   1HB   ALA  80          1HB       ALA  80   3.068 -21.427   1.715
  575   2HB   ALA  80          2HB       ALA  80   4.561 -20.751   2.361
  576   3HB   ALA  80          3HB       ALA  80   4.513 -21.354   0.704
  577    H    GLY  81           H        GLY  81   3.811 -16.992   1.242
  578   1HA   GLY  81          2HA       GLY  81   6.659 -16.906   0.622
  579   2HA   GLY  81          1HA       GLY  81   5.594 -16.109  -0.534
  580    H    THR  82           H        THR  82   7.465 -14.602   0.803
  581    HA   THR  82           HA       THR  82   5.913 -13.332   2.953
  582    HB   THR  82           HB       THR  82   8.699 -12.455   2.339
  583    HG1  THR  82           1HG      THR  82   8.752 -14.792   2.300
  584   1HG2  THR  82          1HG2      THR  82   8.760 -12.322   4.815
  585   2HG2  THR  82          2HG2      THR  82   7.106 -12.939   4.864
  586   3HG2  THR  82          3HG2      THR  82   7.444 -11.375   4.118
  587    H    HIS  83           H        HIS  83   5.128 -11.298   2.744
  588    HA   HIS  83           HA       HIS  83   5.354 -10.124   0.059
  589   1HB   HIS  83          2HB       HIS  83   3.056 -10.875   1.105
  590   2HB   HIS  83          1HB       HIS  83   3.219  -9.401   2.052
  591    HD1  HIS  83           1HD      HIS  83   3.487  -7.136   0.604
  592    HD2  HIS  83           2HD      HIS  83   1.990 -10.460  -1.388
  593    HE1  HIS  83           1HE      HIS  83   2.430  -6.222  -1.486
  594    HE2  HIS  83           2HE      HIS  83   1.625  -8.277  -2.741
  595    H    ALA  84           H        ALA  84   6.913  -8.593   0.100
  596    HA   ALA  84           HA       ALA  84   7.006  -6.754   2.384
  597   1HB   ALA  84          1HB       ALA  84   9.178  -6.040   1.488
  598   2HB   ALA  84          2HB       ALA  84   8.974  -7.148   0.129
  599   3HB   ALA  84          3HB       ALA  84   9.134  -7.782   1.767
  600    H    VAL  85           H        VAL  85   5.949  -4.912   2.199
  601    HA   VAL  85           HA       VAL  85   5.148  -4.062  -0.505
  602    HB   VAL  85           HB       VAL  85   3.845  -3.136   2.032
  603   1HG1  VAL  85          1HG1      VAL  85   2.911  -3.374  -0.820
  604   2HG1  VAL  85          2HG1      VAL  85   3.341  -1.891   0.033
  605   3HG1  VAL  85          3HG1      VAL  85   1.922  -2.816   0.531
  606   1HG2  VAL  85          1HG2      VAL  85   3.158  -5.627   0.478
  607   2HG2  VAL  85          2HG2      VAL  85   2.194  -4.927   1.780
  608   3HG2  VAL  85          3HG2      VAL  85   3.806  -5.562   2.120
  609    H    ASN  86           H        ASN  86   6.552  -2.563  -1.189
  610    HA   ASN  86           HA       ASN  86   7.115  -0.296   0.619
  611   1HB   ASN  86          2HB       ASN  86   8.667  -1.084  -1.864
  612   2HB   ASN  86          1HB       ASN  86   9.105   0.146  -0.686
  613   1HD2  ASN  86          1HD2      ASN  86   8.201  -1.678   1.516
  614   2HD2  ASN  86          2HD2      ASN  86   9.509  -2.802   1.695
  615    H    LEU  87           H        LEU  87   5.595   1.139   0.226
  616    HA   LEU  87           HA       LEU  87   4.847   1.686  -2.564
  617   1HB   LEU  87          2HB       LEU  87   3.371   2.249   0.013
  618   2HB   LEU  87          1HB       LEU  87   2.806   2.703  -1.585
  619    HG   LEU  87           HG       LEU  87   3.243  -0.147  -0.639
  620   1HD1  LEU  87          1HD1      LEU  87   1.343   0.923   0.460
  621   2HD1  LEU  87          2HD1      LEU  87   0.816  -0.305  -0.693
  622   3HD1  LEU  87          3HD1      LEU  87   0.700   1.405  -1.112
  623   1HD2  LEU  87          1HD2      LEU  87   2.068   0.946  -3.188
  624   2HD2  LEU  87          2HD2      LEU  87   2.143  -0.753  -2.719
  625   3HD2  LEU  87          3HD2      LEU  87   3.629   0.145  -3.023
  626    H    THR  88           H        THR  88   5.441   3.601  -3.417
  627    HA   THR  88           HA       THR  88   6.891   5.386  -1.598
  628    HB   THR  88           HB       THR  88   7.169   5.287  -4.601
  629    HG1  THR  88           1HG      THR  88   7.806   3.288  -4.093
  630   1HG2  THR  88          1HG2      THR  88   9.061   6.166  -2.405
  631   2HG2  THR  88          2HG2      THR  88   8.104   7.254  -3.410
  632   3HG2  THR  88          3HG2      THR  88   9.362   6.257  -4.143
  633    H    TYR  89           H        TYR  89   6.341   7.423  -1.343
  634    HA   TYR  89           HA       TYR  89   3.906   8.358  -2.666
  635   1HB   TYR  89          2HB       TYR  89   4.152   8.293  -0.133
  636   2HB   TYR  89          1HB       TYR  89   5.344   9.577  -0.294
  637    HD1  TYR  89           1HD      TYR  89   1.788   8.726  -0.787
  638    HD2  TYR  89           2HD      TYR  89   4.676  11.829  -0.599
  639    HE1  TYR  89           1HE      TYR  89  -0.018  10.389  -0.754
  640    HE2  TYR  89           2HE      TYR  89   2.879  13.500  -0.560
  641    HH   TYR  89           HH       TYR  89   0.250  13.359  -1.554
  642    H    MET  90           H        MET  90   4.818   8.989  -4.670
  643    HA   MET  90           HA       MET  90   6.722  11.259  -4.526
  644   1HB   MET  90          2HB       MET  90   6.560   9.522  -6.961
  645   2HB   MET  90          1HB       MET  90   7.865  10.558  -6.428
  646   1HG   MET  90          2HG       MET  90   8.433   8.992  -4.674
  647   2HG   MET  90          1HG       MET  90   7.103   7.941  -5.174
  648   1HE   MET  90          1HE       MET  90   8.266   6.979  -8.841
  649   2HE   MET  90          2HE       MET  90   7.221   8.318  -8.356
  650   3HE   MET  90          3HE       MET  90   7.014   6.724  -7.618
  651    H    ARG  91           H        ARG  91   6.641  12.568  -6.624
  652    HA   ARG  91           HA       ARG  91   3.876  12.982  -7.423
  653   1HB   ARG  91          2HB       ARG  91   6.086  14.678  -7.198
  654   2HB   ARG  91          1HB       ARG  91   5.935  14.421  -8.934
  655   1HG   ARG  91          2HG       ARG  91   3.511  15.076  -8.720
  656   2HG   ARG  91          1HG       ARG  91   3.883  15.564  -7.069
  657   1HD   ARG  91          2HD       ARG  91   5.191  16.653  -9.558
  658   2HD   ARG  91          1HD       ARG  91   3.941  17.463  -8.619
  659    HE   ARG  91           HE       ARG  91   6.690  16.937  -7.697
  660   1HH1  ARG  91          1HH1      ARG  91   3.676  18.701  -7.501
  661   2HH1  ARG  91          2HH1      ARG  91   4.309  19.919  -6.425
  662   1HH2  ARG  91          1HH2      ARG  91   7.530  18.537  -6.273
  663   2HH2  ARG  91          2HH2      ARG  91   6.488  19.804  -5.716
  664    HA   PRO  92           HA       PRO  92   4.178   9.641 -10.201
  665   1HB   PRO  92          2HB       PRO  92   2.111  10.495 -11.906
  666   2HB   PRO  92          1HB       PRO  92   1.949   9.482 -10.472
  667   1HG   PRO  92          2HG       PRO  92   1.549  12.423 -10.766
  668   2HG   PRO  92          1HG       PRO  92   0.650  11.257  -9.776
  669   1HD   PRO  92          2HD       PRO  92   2.412  12.917  -8.675
  670   2HD   PRO  92          1HD       PRO  92   2.288  11.230  -8.124
  671    H    TRP  93           H        TRP  93   4.347  12.902 -11.555
  672    HA   TRP  93           HA       TRP  93   5.366  11.753 -14.053
  673   1HB   TRP  93          2HB       TRP  93   5.035  14.060 -14.984
  674   2HB   TRP  93          1HB       TRP  93   3.560  13.256 -14.466
  675    HD1  TRP  93           HD       TRP  93   5.811  16.217 -13.625
  676    HE1  TRP  93           1HE      TRP  93   4.573  17.763 -11.977
  677    HE3  TRP  93           3HE      TRP  93   1.790  13.241 -12.626
  678    HZ2  TRP  93           2HZ      TRP  93   2.182  17.710 -10.453
  679    HZ3  TRP  93           3HZ      TRP  93   0.077  14.050 -11.066
  680    HH2  TRP  93           HH       TRP  93   0.264  16.243 -10.004
  681    H    THR  94           H        THR  94   6.753  12.449 -11.311
  682    HA   THR  94           HA       THR  94   9.268  13.069 -12.480
  683    HB   THR  94           HB       THR  94   8.609  15.333 -12.595
  684    HG1  THR  94           1HG      THR  94  10.603  14.671 -11.136
  685   1HG2  THR  94          1HG2      THR  94   6.598  15.229 -11.220
  686   2HG2  THR  94          2HG2      THR  94   7.616  16.584 -10.731
  687   3HG2  THR  94          3HG2      THR  94   7.584  15.110  -9.762
  688    H    GLY  95           H        GLY  95   7.640  13.588  -9.341
  689   1HA   GLY  95          2HA       GLY  95   8.099  12.818  -7.232
  690   2HA   GLY  95          1HA       GLY  95   8.822  11.415  -8.029
  691    HA   PRO  96           HA       PRO  96  12.103  15.257  -7.265
  692   1HB   PRO  96          2HB       PRO  96  10.758  15.398  -4.585
  693   2HB   PRO  96          1HB       PRO  96  11.680  16.633  -5.440
  694   1HG   PRO  96          2HG       PRO  96   9.012  16.642  -5.452
  695   2HG   PRO  96          1HG       PRO  96   9.957  17.160  -6.858
  696   1HD   PRO  96          2HD       PRO  96   8.316  14.753  -6.497
  697   2HD   PRO  96          1HD       PRO  96   8.897  15.506  -7.993
  698    H    SER  97           H        SER  97  13.963  14.393  -6.737
  699    HA   SER  97           HA       SER  97  14.433  11.813  -6.382
  700   1HB   SER  97          2HB       SER  97  16.673  12.530  -5.318
  701   2HB   SER  97          1HB       SER  97  16.267  13.135  -6.923
  702    HG   SER  97           HG       SER  97  16.620  15.015  -6.050
  703    H    HIS  98           H        HIS  98  14.770  13.954  -3.512
  704    HA   HIS  98           HA       HIS  98  14.009  11.587  -1.924
  705   1HB   HIS  98          2HB       HIS  98  16.505  12.379  -1.874
  706   2HB   HIS  98          1HB       HIS  98  15.888  13.648  -0.821
  707    HD1  HIS  98           1HD      HIS  98  15.391  13.021   1.591
  708    HD2  HIS  98           2HD      HIS  98  16.219   9.729  -0.811
  709    HE1  HIS  98           1HE      HIS  98  15.623  11.077   3.164
  710    HE2  HIS  98           2HE      HIS  98  15.906   9.067   1.674
  711    H    ASP  99           H        ASP  99  12.308  13.723  -2.908
  712    HA   ASP  99           HA       ASP  99  11.550  14.973  -0.340
  713   1HB   ASP  99          2HB       ASP  99  11.897  16.409  -2.443
  714   2HB   ASP  99          1HB       ASP  99  10.411  15.675  -3.049
  715    H    SER 100           H        SER 100  11.001  12.393  -2.222
  716    HA   SER 100           HA       SER 100   8.133  12.166  -1.859
  717   1HB   SER 100          2HB       SER 100  10.128  10.211  -3.032
  718   2HB   SER 100          1HB       SER 100   8.372  10.126  -3.169
  719    HG   SER 100           HG       SER 100  10.189  11.813  -4.469
  720    H    GLU 101           H        GLU 101   7.147  10.720  -0.466
  721    HA   GLU 101           HA       GLU 101   8.816   9.689   1.709
  722   1HB   GLU 101          2HB       GLU 101   6.628  11.034   2.036
  723   2HB   GLU 101          1HB       GLU 101   5.804   9.557   1.563
  724   1HG   GLU 101          2HG       GLU 101   6.983   8.393   3.424
  725   2HG   GLU 101          1HG       GLU 101   7.596   9.961   3.942
  726    H    ARG 102           H        ARG 102   7.773   7.421   2.588
  727    HA   ARG 102           HA       ARG 102   6.828   5.707   0.500
  728   1HB   ARG 102          2HB       ARG 102   9.375   5.953   0.134
  729   2HB   ARG 102          1HB       ARG 102   9.549   4.990   1.595
  730   1HG   ARG 102          2HG       ARG 102   8.434   3.133   0.583
  731   2HG   ARG 102          1HG       ARG 102   8.011   4.096  -0.832
  732   1HD   ARG 102          2HD       ARG 102  10.541   4.423  -1.114
  733   2HD   ARG 102          1HD       ARG 102  10.703   3.082   0.020
  734    HE   ARG 102           HE       ARG 102   9.032   2.679  -2.356
  735   1HH1  ARG 102          1HH1      ARG 102  12.054   2.098  -0.681
  736   2HH1  ARG 102          2HH1      ARG 102  12.525   0.776  -1.712
  737   1HH2  ARG 102          1HH2      ARG 102   9.636   0.957  -3.719
  738   2HH2  ARG 102          2HH2      ARG 102  11.123   0.107  -3.440
  739    H    PHE 103           H        PHE 103   5.994   3.886   1.188
  740    HA   PHE 103           HA       PHE 103   5.774   3.479   4.084
  741   1HB   PHE 103          2HB       PHE 103   3.616   3.799   3.312
  742   2HB   PHE 103          1HB       PHE 103   3.973   3.138   1.726
  743    HD1  PHE 103           1HD      PHE 103   2.930   2.424   5.126
  744    HD2  PHE 103           2HD      PHE 103   3.855   0.760   1.327
  745    HE1  PHE 103           1HE      PHE 103   1.853   0.324   5.793
  746    HE2  PHE 103           2HE      PHE 103   2.774  -1.344   1.985
  747    HZ   PHE 103           HZ       PHE 103   1.759  -1.563   4.185
  748    H    THR 104           H        THR 104   5.797   1.249   4.869
  749    HA   THR 104           HA       THR 104   6.635  -0.815   3.063
  750    HB   THR 104           HB       THR 104   8.611   0.275   5.083
  751    HG1  THR 104           1HG      THR 104   8.335   0.904   2.629
  752   1HG2  THR 104          1HG2      THR 104   8.752  -2.296   3.503
  753   2HG2  THR 104          2HG2      THR 104   8.563  -2.160   5.249
  754   3HG2  THR 104          3HG2      THR 104  10.057  -1.621   4.482
  755    H    VAL 105           H        VAL 105   4.976  -2.099   3.828
  756    HA   VAL 105           HA       VAL 105   5.342  -2.938   6.625
  757    HB   VAL 105           HB       VAL 105   3.001  -2.345   6.012
  758   1HG1  VAL 105          1HG1      VAL 105   3.014  -3.047   3.694
  759   2HG1  VAL 105          2HG1      VAL 105   1.729  -3.867   4.580
  760   3HG1  VAL 105          3HG1      VAL 105   3.215  -4.730   4.183
  761   1HG2  VAL 105          1HG2      VAL 105   3.360  -5.273   6.634
  762   2HG2  VAL 105          2HG2      VAL 105   1.977  -4.257   7.052
  763   3HG2  VAL 105          3HG2      VAL 105   3.545  -3.965   7.801
  764    H    TYR 106           H        TYR 106   6.053  -4.894   7.090
  765    HA   TYR 106           HA       TYR 106   6.626  -6.728   4.878
  766   1HB   TYR 106          2HB       TYR 106   7.766  -6.564   7.673
  767   2HB   TYR 106          1HB       TYR 106   8.097  -7.871   6.549
  768    HD1  TYR 106           1HD      TYR 106   9.154  -7.228   4.285
  769    HD2  TYR 106           2HD      TYR 106   9.113  -4.663   7.679
  770    HE1  TYR 106           1HE      TYR 106  11.040  -5.966   3.345
  771    HE2  TYR 106           2HE      TYR 106  10.998  -3.390   6.746
  772    HH   TYR 106           HH       TYR 106  12.003  -3.681   3.536
  773    H    LEU 107           H        LEU 107   4.912  -7.985   4.616
  774    HA   LEU 107           HA       LEU 107   3.795  -9.246   7.021
  775   1HB   LEU 107          2HB       LEU 107   1.609  -9.160   6.076
  776   2HB   LEU 107          1HB       LEU 107   2.285  -7.552   5.982
  777    HG   LEU 107           HG       LEU 107   2.949  -8.426   3.533
  778   1HD1  LEU 107          1HD1      LEU 107   1.088  -9.689   2.584
  779   2HD1  LEU 107          2HD1      LEU 107   0.367  -9.844   4.185
  780   3HD1  LEU 107          3HD1      LEU 107   1.915 -10.615   3.837
  781   1HD2  LEU 107          1HD2      LEU 107   0.979  -7.224   2.729
  782   2HD2  LEU 107          2HD2      LEU 107   1.759  -6.374   4.063
  783   3HD2  LEU 107          3HD2      LEU 107   0.279  -7.290   4.346
  784    H    LYS 108           H        LYS 108   3.287 -11.470   6.818
  785    HA   LYS 108           HA       LYS 108   4.698 -12.692   4.548
  786   1HB   LYS 108          2HB       LYS 108   5.404 -13.253   6.915
  787   2HB   LYS 108          1HB       LYS 108   3.851 -14.055   7.093
  788   1HG   LYS 108          2HG       LYS 108   4.490 -15.366   5.002
  789   2HG   LYS 108          1HG       LYS 108   6.132 -14.786   5.308
  790   1HD   LYS 108          2HD       LYS 108   5.998 -15.731   7.593
  791   2HD   LYS 108          1HD       LYS 108   4.415 -16.400   7.189
  792   1HE   LYS 108          2HE       LYS 108   5.439 -17.696   5.382
  793   2HE   LYS 108          1HE       LYS 108   7.019 -17.041   5.816
  794   1HZ   LYS 108          1HZ       LYS 108   6.660 -18.028   8.066
  795   2HZ   LYS 108          2HZ       LYS 108   6.833 -19.161   6.818
  796   3HZ   LYS 108          3HZ       LYS 108   5.293 -18.819   7.449
  797    H    ALA 109           H        ALA 109   3.601 -13.832   3.074
  798    HA   ALA 109           HA       ALA 109   0.690 -13.868   3.429
  799   1HB   ALA 109          1HB       ALA 109   2.363 -13.917   0.919
  800   2HB   ALA 109          2HB       ALA 109   1.492 -12.526   1.565
  801   3HB   ALA 109          3HB       ALA 109   0.603 -13.928   0.969
  802    H    ASN 110           H        ASN 110  -0.383 -15.717   3.488
  803    HA   ASN 110           HA       ASN 110   0.125 -18.054   2.124
  804   1HB   ASN 110          2HB       ASN 110   1.076 -19.582   3.777
  805   2HB   ASN 110          1HB       ASN 110   2.205 -18.280   3.439
  806   1HD2  ASN 110          1HD2      ASN 110   1.374 -16.271   5.067
  807   2HD2  ASN 110          2HD2      ASN 110   1.436 -16.767   6.721
  Start of MODEL    5
    1    H    HIS   3           H        HIS   3  -6.138  -9.975   4.193
    2    HA   HIS   3           HA       HIS   3  -5.469  -9.059   6.893
    3   1HB   HIS   3          2HB       HIS   3  -3.613 -10.518   6.543
    4   2HB   HIS   3          1HB       HIS   3  -3.566 -10.133   4.819
    5    HD1  HIS   3           1HD      HIS   3  -3.058  -8.228   8.076
    6    HD2  HIS   3           2HD      HIS   3  -1.497  -8.502   4.221
    7    HE1  HIS   3           1HE      HIS   3  -1.178  -6.560   7.988
    8    HE2  HIS   3           2HE      HIS   3  -0.200  -6.798   5.678
    9    H    LYS   4           H        LYS   4  -5.067  -6.839   6.960
   10    HA   LYS   4           HA       LYS   4  -4.706  -5.478   4.388
   11   1HB   LYS   4          2HB       LYS   4  -6.378  -3.843   4.829
   12   2HB   LYS   4          1HB       LYS   4  -7.120  -5.421   5.078
   13   1HG   LYS   4          2HG       LYS   4  -7.076  -5.179   7.426
   14   2HG   LYS   4          1HG       LYS   4  -6.008  -3.778   7.334
   15   1HD   LYS   4          2HD       LYS   4  -7.854  -2.594   6.095
   16   2HD   LYS   4          1HD       LYS   4  -8.901  -3.953   6.512
   17   1HE   LYS   4          2HE       LYS   4  -8.529  -3.547   8.875
   18   2HE   LYS   4          1HE       LYS   4  -7.411  -2.239   8.495
   19   1HZ   LYS   4          1HZ       LYS   4  -9.509  -1.307   9.054
   20   2HZ   LYS   4          2HZ       LYS   4 -10.327  -2.307   7.959
   21   3HZ   LYS   4          3HZ       LYS   4  -9.289  -1.093   7.387
   22    H    VAL   5           H        VAL   5  -3.513  -3.584   4.477
   23    HA   VAL   5           HA       VAL   5  -2.362  -2.952   7.104
   24    HB   VAL   5           HB       VAL   5  -1.101  -3.065   4.411
   25   1HG1  VAL   5          1HG1      VAL   5  -0.407  -0.939   6.417
   26   2HG1  VAL   5          2HG1      VAL   5  -0.879  -0.716   4.731
   27   3HG1  VAL   5          3HG1      VAL   5   0.670  -1.470   5.125
   28   1HG2  VAL   5          1HG2      VAL   5  -0.030  -3.368   7.209
   29   2HG2  VAL   5          2HG2      VAL   5   0.797  -3.797   5.711
   30   3HG2  VAL   5          3HG2      VAL   5  -0.647  -4.685   6.204
   31    H    THR   6           H        THR   6  -2.550  -0.981   7.895
   32    HA   THR   6           HA       THR   6  -3.517   1.191   6.177
   33    HB   THR   6           HB       THR   6  -4.029   2.189   8.578
   34    HG1  THR   6           1HG      THR   6  -4.875   0.210   9.786
   35   1HG2  THR   6          1HG2      THR   6  -5.712   0.154   7.108
   36   2HG2  THR   6          2HG2      THR   6  -5.706   1.904   6.875
   37   3HG2  THR   6          3HG2      THR   6  -6.322   1.215   8.379
   38    H    LYS   7           H        LYS   7  -2.800   3.400   7.125
   39    HA   LYS   7           HA       LYS   7  -0.247   3.860   6.420
   40   1HB   LYS   7          2HB       LYS   7  -1.959   5.586   6.818
   41   2HB   LYS   7          1HB       LYS   7  -1.710   5.416   8.549
   42   1HG   LYS   7          2HG       LYS   7  -0.569   7.374   7.482
   43   2HG   LYS   7          1HG       LYS   7   0.486   6.307   8.411
   44   1HD   LYS   7          2HD       LYS   7   1.363   5.315   6.440
   45   2HD   LYS   7          1HD       LYS   7   0.134   6.074   5.425
   46   1HE   LYS   7          2HE       LYS   7   2.384   7.140   5.286
   47   2HE   LYS   7          1HE       LYS   7   1.095   8.238   5.769
   48   1HZ   LYS   7          1HZ       LYS   7   2.573   6.918   7.910
   49   2HZ   LYS   7          2HZ       LYS   7   1.959   8.498   7.827
   50   3HZ   LYS   7          3HZ       LYS   7   3.405   8.101   7.027
   51    H    ALA   8           H        ALA   8  -1.205   3.190   9.803
   52    HA   ALA   8           HA       ALA   8   1.178   3.702  11.097
   53   1HB   ALA   8          1HB       ALA   8  -0.881   3.068  12.248
   54   2HB   ALA   8          2HB       ALA   8   0.485   2.087  12.785
   55   3HB   ALA   8          3HB       ALA   8  -0.699   1.413  11.664
   56    H    HIS   9           H        HIS   9   0.335   0.933   9.151
   57    HA   HIS   9           HA       HIS   9   2.470  -0.754   9.923
   58   1HB   HIS   9          2HB       HIS   9   0.789  -0.723   7.434
   59   2HB   HIS   9          1HB       HIS   9   1.970  -1.970   7.803
   60    HD1  HIS   9           1HD      HIS   9  -1.399  -0.728   8.746
   61    HD2  HIS   9           2HD      HIS   9   1.175  -3.813   9.773
   62    HE1  HIS   9           1HE      HIS   9  -2.844  -2.488   9.803
   63    HE2  HIS   9           2HE      HIS   9  -1.209  -4.187  10.715
   64    H    ASN  10           H        ASN  10   2.551   2.123   8.271
   65    HA   ASN  10           HA       ASN  10   4.500   1.989   6.354
   66   1HB   ASN  10          2HB       ASN  10   3.520   4.114   7.033
   67   2HB   ASN  10          1HB       ASN  10   4.227   3.969   8.642
   68   1HD2  ASN  10          1HD2      ASN  10   5.901   3.277   5.622
   69   2HD2  ASN  10          2HD2      ASN  10   7.021   4.584   5.733
   70    H    GLY  11           H        GLY  11   4.708   1.154   9.692
   71   1HA   GLY  11          2HA       GLY  11   7.479   0.264   9.258
   72   2HA   GLY  11          1HA       GLY  11   7.115   1.201  10.704
   73    H    ALA  12           H        ALA  12   5.649  -1.558   8.952
   74    HA   ALA  12           HA       ALA  12   5.203  -2.821  11.588
   75   1HB   ALA  12          1HB       ALA  12   3.292  -3.979  10.392
   76   2HB   ALA  12          2HB       ALA  12   3.541  -2.800   9.100
   77   3HB   ALA  12          3HB       ALA  12   3.111  -2.257  10.722
   78    H    THR  13           H        THR  13   5.130  -5.116  11.685
   79    HA   THR  13           HA       THR  13   6.153  -6.706   9.469
   80    HB   THR  13           HB       THR  13   7.532  -6.841  12.164
   81    HG1  THR  13           1HG      THR  13   7.994  -5.199   9.972
   82   1HG2  THR  13          1HG2      THR  13   8.243  -8.001   9.467
   83   2HG2  THR  13          2HG2      THR  13   7.585  -8.899  10.836
   84   3HG2  THR  13          3HG2      THR  13   9.187  -8.173  10.946
   85    H    LEU  14           H        LEU  14   4.714  -8.370   9.387
   86    HA   LEU  14           HA       LEU  14   3.918  -9.777  11.771
   87   1HB   LEU  14          2HB       LEU  14   1.579  -9.331  11.707
   88   2HB   LEU  14          1HB       LEU  14   2.418  -7.795  11.786
   89    HG   LEU  14           HG       LEU  14   1.361  -8.950   9.206
   90   1HD1  LEU  14          1HD1      LEU  14   0.045  -6.986  11.079
   91   2HD1  LEU  14          2HD1      LEU  14  -0.496  -8.633  10.752
   92   3HD1  LEU  14          3HD1      LEU  14  -0.531  -7.421   9.471
   93   1HD2  LEU  14          1HD2      LEU  14   1.616  -6.703   8.373
   94   2HD2  LEU  14          2HD2      LEU  14   3.148  -7.239   9.071
   95   3HD2  LEU  14          3HD2      LEU  14   2.110  -6.130   9.966
   96    H    THR  15           H        THR  15   2.341 -11.545  11.279
   97    HA   THR  15           HA       THR  15   2.827 -12.602   8.576
   98    HB   THR  15           HB       THR  15   2.030 -14.036  11.116
   99    HG1  THR  15           1HG      THR  15   4.317 -13.299  10.619
  100   1HG2  THR  15          1HG2      THR  15   2.108 -16.090   9.845
  101   2HG2  THR  15          2HG2      THR  15   2.582 -15.212   8.390
  102   3HG2  THR  15          3HG2      THR  15   0.968 -14.981   9.069
  103    H    VAL  16           H        VAL  16   1.132 -13.307   7.287
  104    HA   VAL  16           HA       VAL  16  -1.559 -12.566   8.238
  105    HB   VAL  16           HB       VAL  16  -2.050 -11.401   6.290
  106   1HG1  VAL  16          1HG1      VAL  16  -0.211  -9.796   5.972
  107   2HG1  VAL  16          2HG1      VAL  16   0.872 -10.893   6.829
  108   3HG1  VAL  16          3HG1      VAL  16  -0.492 -10.161   7.674
  109   1HG2  VAL  16          1HG2      VAL  16  -1.288 -13.068   4.681
  110   2HG2  VAL  16          2HG2      VAL  16   0.381 -12.563   4.957
  111   3HG2  VAL  16          3HG2      VAL  16  -0.771 -11.441   4.232
  112    H    ALA  17           H        ALA  17  -3.289 -13.749   7.388
  113    HA   ALA  17           HA       ALA  17  -2.560 -16.224   5.982
  114   1HB   ALA  17          1HB       ALA  17  -5.029 -15.462   7.538
  115   2HB   ALA  17          2HB       ALA  17  -3.769 -16.584   8.044
  116   3HB   ALA  17          3HB       ALA  17  -4.818 -16.994   6.687
  117    H    VAL  18           H        VAL  18  -2.918 -16.250   3.853
  118    HA   VAL  18           HA       VAL  18  -4.629 -14.138   2.741
  119    HB   VAL  18           HB       VAL  18  -3.518 -14.502   0.619
  120   1HG1  VAL  18          1HG1      VAL  18  -2.421 -12.902   1.907
  121   2HG1  VAL  18          2HG1      VAL  18  -1.133 -13.988   1.369
  122   3HG1  VAL  18          3HG1      VAL  18  -1.765 -14.103   3.017
  123   1HG2  VAL  18          1HG2      VAL  18  -1.982 -16.670   2.035
  124   2HG2  VAL  18          2HG2      VAL  18  -1.620 -16.054   0.424
  125   3HG2  VAL  18          3HG2      VAL  18  -3.145 -16.888   0.728
  126    H    GLY  19           H        GLY  19  -5.230 -15.065   0.297
  127   1HA   GLY  19          2HA       GLY  19  -6.105 -17.243  -0.637
  128   2HA   GLY  19          1HA       GLY  19  -6.975 -17.374   0.889
  129    H    GLU  20           H        GLU  20  -7.868 -14.847   1.280
  130    HA   GLU  20           HA       GLU  20  -9.864 -14.568  -0.814
  131   1HB   GLU  20          2HB       GLU  20  -9.609 -12.838   1.636
  132   2HB   GLU  20          1HB       GLU  20 -11.054 -13.198   0.700
  133   1HG   GLU  20          2HG       GLU  20 -11.157 -15.410   1.567
  134   2HG   GLU  20          1HG       GLU  20  -9.568 -15.249   2.316
  135    H    LEU  21           H        LEU  21  -7.944 -12.221   1.043
  136    HA   LEU  21           HA       LEU  21  -6.865 -10.943  -1.264
  137   1HB   LEU  21          2HB       LEU  21  -9.136 -10.143  -1.506
  138   2HB   LEU  21          1HB       LEU  21  -9.180  -9.663   0.181
  139    HG   LEU  21           HG       LEU  21  -7.496  -7.924  -0.277
  140   1HD1  LEU  21          1HD1      LEU  21  -6.864  -7.381  -2.550
  141   2HD1  LEU  21          2HD1      LEU  21  -7.805  -8.741  -3.162
  142   3HD1  LEU  21          3HD1      LEU  21  -6.383  -9.034  -2.162
  143   1HD2  LEU  21          1HD2      LEU  21  -8.969  -6.436  -1.534
  144   2HD2  LEU  21          2HD2      LEU  21  -9.876  -7.399  -0.367
  145   3HD2  LEU  21          3HD2      LEU  21  -9.913  -7.823  -2.079
  146    H    VAL  22           H        VAL  22  -4.983 -10.079  -0.619
  147    HA   VAL  22           HA       VAL  22  -4.869  -9.157   2.161
  148    HB   VAL  22           HB       VAL  22  -2.858 -10.572   0.499
  149   1HG1  VAL  22          1HG1      VAL  22  -2.076  -8.353   2.405
  150   2HG1  VAL  22          2HG1      VAL  22  -1.682  -8.458   0.689
  151   3HG1  VAL  22          3HG1      VAL  22  -0.980  -9.607   1.830
  152   1HG2  VAL  22          1HG2      VAL  22  -3.404 -10.320   3.450
  153   2HG2  VAL  22          2HG2      VAL  22  -2.256 -11.434   2.708
  154   3HG2  VAL  22          3HG2      VAL  22  -3.982 -11.597   2.379
  155    H    GLU  23           H        GLU  23  -4.975  -7.086   2.452
  156    HA   GLU  23           HA       GLU  23  -4.511  -5.345   0.139
  157   1HB   GLU  23          2HB       GLU  23  -6.066  -4.832   2.673
  158   2HB   GLU  23          1HB       GLU  23  -5.856  -3.688   1.355
  159   1HG   GLU  23          2HG       GLU  23  -7.029  -5.276  -0.137
  160   2HG   GLU  23          1HG       GLU  23  -7.334  -6.304   1.265
  161    H    ILE  24           H        ILE  24  -3.481  -3.444   0.313
  162    HA   ILE  24           HA       ILE  24  -2.124  -2.736   2.820
  163    HB   ILE  24           HB       ILE  24  -0.947  -2.507   0.035
  164   1HG1  ILE  24          2HG1      ILE  24  -0.861  -4.807   0.890
  165   2HG1  ILE  24          1HG1      ILE  24   0.751  -4.101   0.823
  166   1HG2  ILE  24          1HG2      ILE  24   0.194  -1.722   2.710
  167   2HG2  ILE  24          2HG2      ILE  24  -0.360  -0.620   1.449
  168   3HG2  ILE  24          3HG2      ILE  24   1.045  -1.649   1.166
  169   1HD1  ILE  24          1HD1      ILE  24   0.428  -5.379   2.857
  170   2HD1  ILE  24          2HD1      ILE  24  -0.959  -4.375   3.284
  171   3HD1  ILE  24          3HD1      ILE  24   0.657  -3.670   3.222
  172    H    GLN  25           H        GLN  25  -3.348  -0.967   3.375
  173    HA   GLN  25           HA       GLN  25  -4.133   0.797   1.167
  174   1HB   GLN  25          2HB       GLN  25  -6.060  -0.277   2.023
  175   2HB   GLN  25          1HB       GLN  25  -5.611   0.081   3.690
  176   1HG   GLN  25          2HG       GLN  25  -5.819   2.441   2.031
  177   2HG   GLN  25          1HG       GLN  25  -7.317   1.515   2.079
  178   1HE2  GLN  25          1HE2      GLN  25  -5.042   3.353   3.979
  179   2HE2  GLN  25          2HE2      GLN  25  -6.056   3.531   5.367
  180    H    LEU  26           H        LEU  26  -3.656   2.820   1.223
  181    HA   LEU  26           HA       LEU  26  -2.396   3.939   3.622
  182   1HB   LEU  26          2HB       LEU  26  -2.022   4.471   0.702
  183   2HB   LEU  26          1HB       LEU  26  -1.609   5.697   1.874
  184    HG   LEU  26           HG       LEU  26   0.383   4.562   1.293
  185   1HD1  LEU  26          1HD1      LEU  26   1.071   3.500   3.438
  186   2HD1  LEU  26          2HD1      LEU  26  -0.602   3.651   3.981
  187   3HD1  LEU  26          3HD1      LEU  26   0.339   5.098   3.605
  188   1HD2  LEU  26          1HD2      LEU  26  -1.028   1.988   1.954
  189   2HD2  LEU  26          2HD2      LEU  26   0.665   2.147   1.489
  190   3HD2  LEU  26          3HD2      LEU  26  -0.609   2.557   0.337
  191    HA   PRO  27           HA       PRO  27  -5.743   6.927   3.516
  192   1HB   PRO  27          2HB       PRO  27  -4.824   8.712   5.255
  193   2HB   PRO  27          1HB       PRO  27  -5.202   7.067   5.786
  194   1HG   PRO  27          2HG       PRO  27  -2.530   8.299   5.162
  195   2HG   PRO  27          1HG       PRO  27  -3.001   7.198   6.490
  196   1HD   PRO  27          2HD       PRO  27  -1.759   6.430   4.131
  197   2HD   PRO  27          1HD       PRO  27  -2.655   5.351   5.218
  198    H    SER  28           H        SER  28  -3.025   7.181   1.869
  199    HA   SER  28           HA       SER  28  -2.123   8.570   0.350
  200   1HB   SER  28          2HB       SER  28  -4.505   9.021  -0.296
  201   2HB   SER  28          1HB       SER  28  -4.493  10.385   0.820
  202    HG   SER  28           HG       SER  28  -2.790  10.041  -1.437
  203    H    ASN  29           H        ASN  29  -3.545  10.475   2.943
  204    HA   ASN  29           HA       ASN  29  -2.824  12.318   4.082
  205   1HB   ASN  29          2HB       ASN  29   0.039  11.532   3.750
  206   2HB   ASN  29          1HB       ASN  29  -0.788  12.144   5.169
  207   1HD2  ASN  29          1HD2      ASN  29   0.142   9.366   3.398
  208   2HD2  ASN  29          2HD2      ASN  29  -0.336   8.192   4.578
  209    HA   PRO  30           HA       PRO  30  -1.848  13.592  -0.325
  210   1HB   PRO  30          2HB       PRO  30  -3.760  15.756   0.421
  211   2HB   PRO  30          1HB       PRO  30  -3.683  14.776  -1.050
  212   1HG   PRO  30          2HG       PRO  30  -5.533  14.242   0.748
  213   2HG   PRO  30          1HG       PRO  30  -4.624  12.908   0.003
  214   1HD   PRO  30          2HD       PRO  30  -4.238  14.170   2.694
  215   2HD   PRO  30          1HD       PRO  30  -4.278  12.448   2.257
  216    H    THR  31           H        THR  31   0.106  14.423  -0.425
  217    HA   THR  31           HA       THR  31   0.803  16.784   1.133
  218    HB   THR  31           HB       THR  31   3.070  16.303   0.649
  219    HG1  THR  31           1HG      THR  31   3.700  14.914  -1.046
  220   1HG2  THR  31          1HG2      THR  31   1.954  14.597   2.095
  221   2HG2  THR  31          2HG2      THR  31   3.357  13.971   1.229
  222   3HG2  THR  31          3HG2      THR  31   1.728  13.584   0.660
  223    H    THR  32           H        THR  32   0.568  15.724  -2.220
  224    HA   THR  32           HA       THR  32  -0.330  18.078  -3.332
  225    HB   THR  32           HB       THR  32   1.749  19.161  -2.746
  226    HG1  THR  32           1HG      THR  32   1.849  20.089  -4.636
  227   1HG2  THR  32          1HG2      THR  32   3.163  17.193  -2.466
  228   2HG2  THR  32          2HG2      THR  32   3.932  18.384  -3.515
  229   3HG2  THR  32          3HG2      THR  32   3.182  16.949  -4.213
  230    H    GLY  33           H        GLY  33   1.703  17.580  -5.700
  231   1HA   GLY  33          2HA       GLY  33   0.109  15.843  -7.209
  232   2HA   GLY  33          1HA       GLY  33   1.749  16.296  -7.609
  233    H    PHE  34           H        PHE  34   2.469  15.075  -4.895
  234    HA   PHE  34           HA       PHE  34   3.234  12.505  -5.779
  235   1HB   PHE  34          2HB       PHE  34   3.173  13.707  -2.999
  236   2HB   PHE  34          1HB       PHE  34   3.974  12.204  -3.428
  237    HD1  PHE  34           1HD      PHE  34   3.932  15.732  -4.679
  238    HD2  PHE  34           2HD      PHE  34   6.240  12.334  -3.600
  239    HE1  PHE  34           1HE      PHE  34   5.957  16.969  -5.198
  240    HE2  PHE  34           2HE      PHE  34   8.294  13.578  -4.115
  241    HZ   PHE  34           HZ       PHE  34   8.159  15.898  -4.913
  242    H    ALA  35           H        ALA  35   2.372  10.516  -5.339
  243    HA   ALA  35           HA       ALA  35   0.175  10.230  -3.444
  244   1HB   ALA  35          1HB       ALA  35  -0.082   9.428  -6.355
  245   2HB   ALA  35          2HB       ALA  35  -0.964  10.731  -5.559
  246   3HB   ALA  35          3HB       ALA  35  -1.246   9.056  -5.082
  247    H    TRP  36           H        TRP  36  -0.272   7.856  -3.036
  248    HA   TRP  36           HA       TRP  36   2.283   6.588  -2.753
  249   1HB   TRP  36          2HB       TRP  36  -0.470   5.555  -1.999
  250   2HB   TRP  36          1HB       TRP  36   1.051   4.724  -1.669
  251    HD1  TRP  36           HD       TRP  36  -1.154   7.533  -0.333
  252    HE1  TRP  36           1HE      TRP  36  -0.192   8.284   1.916
  253    HE3  TRP  36           3HE      TRP  36   3.310   5.048  -0.483
  254    HZ2  TRP  36           2HZ      TRP  36   2.136   7.871   3.446
  255    HZ3  TRP  36           3HZ      TRP  36   4.853   5.283   1.410
  256    HH2  TRP  36           HH       TRP  36   4.280   6.675   3.341
  257    H    TYR  37           H        TYR  37   3.252   5.462  -4.238
  258    HA   TYR  37           HA       TYR  37   1.697   3.466  -5.746
  259   1HB   TYR  37          2HB       TYR  37   3.925   5.248  -6.696
  260   2HB   TYR  37          1HB       TYR  37   3.629   3.690  -7.460
  261    HD1  TYR  37           1HD      TYR  37   2.639   7.111  -7.204
  262    HD2  TYR  37           2HD      TYR  37   1.370   3.268  -8.517
  263    HE1  TYR  37           1HE      TYR  37   0.906   8.166  -8.604
  264    HE2  TYR  37           2HE      TYR  37  -0.362   4.309  -9.923
  265    HH   TYR  37           HH       TYR  37  -0.415   7.611 -10.638
  266    H    PHE  38           H        PHE  38   3.474   1.707  -6.582
  267    HA   PHE  38           HA       PHE  38   5.051   0.915  -4.324
  268   1HB   PHE  38          2HB       PHE  38   4.383  -0.198  -6.943
  269   2HB   PHE  38          1HB       PHE  38   6.037  -0.513  -6.447
  270    HD1  PHE  38           1HD      PHE  38   2.588  -1.416  -6.052
  271    HD2  PHE  38           2HD      PHE  38   6.428  -1.653  -4.232
  272    HE1  PHE  38           1HE      PHE  38   1.801  -3.267  -4.635
  273    HE2  PHE  38           2HE      PHE  38   5.647  -3.504  -2.814
  274    HZ   PHE  38           HZ       PHE  38   3.330  -4.312  -3.011
  275    H    GLU  39           H        GLU  39   6.256   1.236  -7.647
  276    HA   GLU  39           HA       GLU  39   8.567   2.706  -6.585
  277   1HB   GLU  39          2HB       GLU  39   8.271   1.215  -9.196
  278   2HB   GLU  39          1HB       GLU  39   9.716   2.066  -8.675
  279   1HG   GLU  39          2HG       GLU  39   9.756   0.527  -6.681
  280   2HG   GLU  39          1HG       GLU  39   8.505  -0.412  -7.496
  281    H    GLY  40           H        GLY  40   5.687   3.304  -7.993
  282   1HA   GLY  40          2HA       GLY  40   5.138   5.615  -8.487
  283   2HA   GLY  40          1HA       GLY  40   6.718   5.769  -9.243
  284    H    GLY  41           H        GLY  41   3.433   5.083  -9.713
  285   1HA   GLY  41          2HA       GLY  41   2.227   4.732 -11.654
  286   2HA   GLY  41          1HA       GLY  41   3.736   4.842 -12.554
  287    H    THR  42           H        THR  42   4.169   2.686 -10.125
  288    HA   THR  42           HA       THR  42   3.400   0.373 -11.753
  289    HB   THR  42           HB       THR  42   5.601  -0.580 -10.618
  290    HG1  THR  42           1HG      THR  42   6.915   1.664 -11.310
  291   1HG2  THR  42          1HG2      THR  42   5.111  -0.679 -12.989
  292   2HG2  THR  42          2HG2      THR  42   6.773  -0.145 -12.745
  293   3HG2  THR  42          3HG2      THR  42   5.526   1.026 -13.178
  294    H    LYS  43           H        LYS  43   2.698  -1.372 -10.671
  295    HA   LYS  43           HA       LYS  43   3.442  -1.624  -7.872
  296   1HB   LYS  43          2HB       LYS  43   1.101  -2.550  -7.447
  297   2HB   LYS  43          1HB       LYS  43   1.309  -0.813  -7.487
  298   1HG   LYS  43          2HG       LYS  43  -0.637  -1.137  -8.680
  299   2HG   LYS  43          1HG       LYS  43   0.576  -1.010  -9.952
  300   1HD   LYS  43          2HD       LYS  43   0.669  -3.498 -10.025
  301   2HD   LYS  43          1HD       LYS  43  -0.653  -3.543  -8.858
  302   1HE   LYS  43          2HE       LYS  43  -2.085  -2.345 -10.425
  303   2HE   LYS  43          1HE       LYS  43  -0.761  -2.265 -11.587
  304   1HZ   LYS  43          1HZ       LYS  43  -2.292  -4.059 -12.111
  305   2HZ   LYS  43          2HZ       LYS  43  -2.037  -4.759 -10.588
  306   3HZ   LYS  43          3HZ       LYS  43  -0.767  -4.682 -11.705
  307    H    GLU  44           H        GLU  44   4.118  -3.590  -7.355
  308    HA   GLU  44           HA       GLU  44   3.381  -5.847  -9.067
  309   1HB   GLU  44          2HB       GLU  44   5.725  -6.637  -9.033
  310   2HB   GLU  44          1HB       GLU  44   5.541  -5.107  -9.875
  311   1HG   GLU  44          2HG       GLU  44   6.363  -3.924  -7.893
  312   2HG   GLU  44          1HG       GLU  44   6.562  -5.467  -7.066
  313    H    SER  45           H        SER  45   3.518  -7.895  -8.073
  314    HA   SER  45           HA       SER  45   3.767  -7.814  -5.128
  315   1HB   SER  45          2HB       SER  45   1.423  -8.171  -5.982
  316   2HB   SER  45          1HB       SER  45   1.984  -9.665  -6.733
  317    HG   SER  45           HG       SER  45   1.315 -10.383  -4.829
  318    HA   PRO  46           HA       PRO  46   7.105 -10.614  -5.873
  319   1HB   PRO  46          2HB       PRO  46   6.855 -11.511  -3.101
  320   2HB   PRO  46          1HB       PRO  46   8.147 -10.584  -3.863
  321   1HG   PRO  46          2HG       PRO  46   6.448  -9.494  -2.063
  322   2HG   PRO  46          1HG       PRO  46   7.154  -8.563  -3.397
  323   1HD   PRO  46          2HD       PRO  46   4.411  -9.750  -3.157
  324   2HD   PRO  46          1HD       PRO  46   4.908  -8.177  -3.817
  325    H    ASN  47           H        ASN  47   3.993 -11.639  -5.084
  326    HA   ASN  47           HA       ASN  47   4.743 -14.467  -5.431
  327   1HB   ASN  47          2HB       ASN  47   2.698 -13.280  -3.549
  328   2HB   ASN  47          1HB       ASN  47   2.696 -14.982  -3.993
  329   1HD2  ASN  47          1HD2      ASN  47   3.016 -15.592  -1.855
  330   2HD2  ASN  47          2HD2      ASN  47   4.546 -15.420  -1.075
  331    H    GLU  48           H        GLU  48   3.836 -12.453  -7.430
  332    HA   GLU  48           HA       GLU  48   1.099 -13.330  -7.915
  333   1HB   GLU  48          2HB       GLU  48   0.892 -11.479  -9.466
  334   2HB   GLU  48          1HB       GLU  48   1.472 -10.926  -7.908
  335   1HG   GLU  48          2HG       GLU  48   3.696 -10.663  -8.769
  336   2HG   GLU  48          1HG       GLU  48   3.215 -11.361 -10.318
  337    H    SER  49           H        SER  49   1.850 -15.437  -8.471
  338    HA   SER  49           HA       SER  49   2.974 -15.732 -11.147
  339   1HB   SER  49          2HB       SER  49   2.758 -18.211 -10.519
  340   2HB   SER  49          1HB       SER  49   3.882 -17.255  -9.552
  341    HG   SER  49           HG       SER  49   2.500 -18.559  -8.246
  342    H    MET  50           H        MET  50   0.201 -16.906  -9.325
  343    HA   MET  50           HA       MET  50  -1.392 -17.126 -11.793
  344   1HB   MET  50          2HB       MET  50  -2.878 -18.579 -10.363
  345   2HB   MET  50          1HB       MET  50  -1.275 -19.219 -10.693
  346   1HG   MET  50          2HG       MET  50  -0.526 -18.460  -8.487
  347   2HG   MET  50          1HG       MET  50  -2.143 -17.847  -8.153
  348   1HE   MET  50          1HE       MET  50  -0.470 -19.852  -6.293
  349   2HE   MET  50          2HE       MET  50  -1.765 -20.935  -5.781
  350   3HE   MET  50          3HE       MET  50  -2.054 -19.196  -5.882
  351    H    PHE  51           H        PHE  51  -1.143 -15.819  -8.640
  352    HA   PHE  51           HA       PHE  51  -3.621 -14.291  -8.908
  353   1HB   PHE  51          2HB       PHE  51  -1.968 -15.255  -6.607
  354   2HB   PHE  51          1HB       PHE  51  -2.922 -13.791  -6.394
  355    HD1  PHE  51           1HD      PHE  51  -3.299 -17.283  -7.660
  356    HD2  PHE  51           2HD      PHE  51  -5.069 -13.997  -5.615
  357    HE1  PHE  51           1HE      PHE  51  -5.293 -18.649  -7.201
  358    HE2  PHE  51           2HE      PHE  51  -7.067 -15.358  -5.156
  359    HZ   PHE  51           HZ       PHE  51  -7.181 -17.686  -5.947
  360    H    THR  52           H        THR  52  -3.260 -11.926  -7.862
  361    HA   THR  52           HA       THR  52  -0.727 -10.816  -8.649
  362    HB   THR  52           HB       THR  52  -1.749 -11.345 -10.841
  363    HG1  THR  52           1HG      THR  52  -0.299  -9.549 -10.660
  364   1HG2  THR  52          1HG2      THR  52  -3.658 -10.025 -11.632
  365   2HG2  THR  52          2HG2      THR  52  -3.820  -9.295 -10.034
  366   3HG2  THR  52          3HG2      THR  52  -4.102 -11.022 -10.247
  367    H    VAL  53           H        VAL  53  -0.841  -8.383  -8.799
  368    HA   VAL  53           HA       VAL  53  -2.411  -7.417  -6.519
  369    HB   VAL  53           HB       VAL  53  -0.051  -7.141  -6.195
  370   1HG1  VAL  53          1HG1      VAL  53   1.373  -5.894  -7.757
  371   2HG1  VAL  53          2HG1      VAL  53   0.012  -5.750  -8.871
  372   3HG1  VAL  53          3HG1      VAL  53   0.685  -7.337  -8.501
  373   1HG2  VAL  53          1HG2      VAL  53  -1.227  -4.483  -7.017
  374   2HG2  VAL  53          2HG2      VAL  53   0.175  -4.713  -5.971
  375   3HG2  VAL  53          3HG2      VAL  53  -1.417  -5.259  -5.444
  376    H    GLU  54           H        GLU  54  -3.779  -5.755  -6.685
  377    HA   GLU  54           HA       GLU  54  -4.057  -4.328  -9.246
  378   1HB   GLU  54          2HB       GLU  54  -6.550  -4.351  -8.744
  379   2HB   GLU  54          1HB       GLU  54  -5.853  -5.896  -9.221
  380   1HG   GLU  54          2HG       GLU  54  -5.693  -6.495  -6.812
  381   2HG   GLU  54          1HG       GLU  54  -6.559  -5.008  -6.435
  382    H    ASN  55           H        ASN  55  -4.566  -2.140  -9.065
  383    HA   ASN  55           HA       ASN  55  -4.317  -1.124  -6.311
  384   1HB   ASN  55          2HB       ASN  55  -3.434   0.954  -7.255
  385   2HB   ASN  55          1HB       ASN  55  -2.463  -0.433  -7.733
  386   1HD2  ASN  55          1HD2      ASN  55  -4.663   2.039  -8.807
  387   2HD2  ASN  55          2HD2      ASN  55  -4.409   1.803 -10.500
  388    H    LYS  56           H        LYS  56  -5.732   0.246  -5.466
  389    HA   LYS  56           HA       LYS  56  -7.453   1.806  -7.155
  390   1HB   LYS  56          2HB       LYS  56  -9.459   1.125  -5.620
  391   2HB   LYS  56          1HB       LYS  56  -9.063   0.177  -7.037
  392   1HG   LYS  56          2HG       LYS  56  -9.408  -1.472  -5.502
  393   2HG   LYS  56          1HG       LYS  56  -7.671  -1.240  -5.333
  394   1HD   LYS  56          2HD       LYS  56  -8.817  -1.441  -3.164
  395   2HD   LYS  56          1HD       LYS  56  -8.012   0.112  -3.356
  396   1HE   LYS  56          2HE       LYS  56 -10.266   0.243  -2.326
  397   2HE   LYS  56          1HE       LYS  56 -10.058   1.219  -3.771
  398   1HZ   LYS  56          1HZ       LYS  56 -12.193  -0.008  -3.660
  399   2HZ   LYS  56          2HZ       LYS  56 -11.331  -1.466  -3.758
  400   3HZ   LYS  56          3HZ       LYS  56 -11.284  -0.366  -5.047
  401    H    TYR  57           H        TYR  57  -6.952   3.730  -6.463
  402    HA   TYR  57           HA       TYR  57  -6.696   4.145  -3.570
  403   1HB   TYR  57          2HB       TYR  57  -4.909   5.898  -4.268
  404   2HB   TYR  57          1HB       TYR  57  -4.461   4.207  -4.150
  405    HD1  TYR  57           1HD      TYR  57  -5.722   6.635  -6.713
  406    HD2  TYR  57           2HD      TYR  57  -3.183   3.331  -5.823
  407    HE1  TYR  57           1HE      TYR  57  -4.806   6.734  -8.991
  408    HE2  TYR  57           2HE      TYR  57  -2.270   3.419  -8.109
  409    HH   TYR  57           HH       TYR  57  -2.945   4.250 -10.336
  410    H    PHE  58           H        PHE  58  -7.215   6.240  -2.793
  411    HA   PHE  58           HA       PHE  58  -8.794   7.792  -4.719
  412   1HB   PHE  58          2HB       PHE  58  -9.845   6.279  -2.699
  413   2HB   PHE  58          1HB       PHE  58  -9.750   7.870  -1.947
  414    HD1  PHE  58           1HD      PHE  58 -10.829   6.241  -5.108
  415    HD2  PHE  58           2HD      PHE  58 -11.503   9.343  -2.270
  416    HE1  PHE  58           1HE      PHE  58 -12.878   6.894  -6.309
  417    HE2  PHE  58           2HE      PHE  58 -13.551  10.001  -3.467
  418    HZ   PHE  58           HZ       PHE  58 -14.239   8.774  -5.488
  419    HA   PRO  59           HA       PRO  59  -6.584  11.268  -2.862
  420   1HB   PRO  59          2HB       PRO  59  -6.410  12.313  -5.535
  421   2HB   PRO  59          1HB       PRO  59  -5.091  11.722  -4.522
  422   1HG   PRO  59          2HG       PRO  59  -5.905  10.491  -6.834
  423   2HG   PRO  59          1HG       PRO  59  -5.101   9.652  -5.490
  424   1HD   PRO  59          2HD       PRO  59  -8.036   9.832  -6.122
  425   2HD   PRO  59          1HD       PRO  59  -7.070   8.409  -5.659
  426    HA   PRO  60           HA       PRO  60 -10.696  12.956  -3.041
  427   1HB   PRO  60          2HB       PRO  60 -10.054  14.699  -0.885
  428   2HB   PRO  60          1HB       PRO  60 -10.907  13.161  -0.838
  429   1HG   PRO  60          2HG       PRO  60  -8.417  13.606   0.258
  430   2HG   PRO  60          1HG       PRO  60  -9.055  12.016  -0.192
  431   1HD   PRO  60          2HD       PRO  60  -7.172  13.801  -1.672
  432   2HD   PRO  60          1HD       PRO  60  -7.149  12.030  -1.497
  433    H    ASP  61           H        ASP  61  -8.929  15.732  -1.791
  434    HA   ASP  61           HA       ASP  61  -9.960  17.343  -3.999
  435   1HB   ASP  61          2HB       ASP  61  -8.233  18.612  -1.971
  436   2HB   ASP  61          1HB       ASP  61  -9.794  19.141  -2.600
  437    H    SER  62           H        SER  62  -7.136  15.971  -2.698
  438    HA   SER  62           HA       SER  62  -4.983  15.861  -3.243
  439   1HB   SER  62          2HB       SER  62  -5.901  16.967  -5.907
  440   2HB   SER  62          1HB       SER  62  -4.321  16.246  -5.597
  441    HG   SER  62           HG       SER  62  -6.582  15.013  -6.244
  442    H    LYS  63           H        LYS  63  -6.446  18.511  -2.478
  443    HA   LYS  63           HA       LYS  63  -3.974  20.085  -2.596
  444   1HB   LYS  63          2HB       LYS  63  -5.405  22.138  -2.521
  445   2HB   LYS  63          1HB       LYS  63  -5.541  21.216  -4.005
  446   1HG   LYS  63          2HG       LYS  63  -7.725  21.863  -3.502
  447   2HG   LYS  63          1HG       LYS  63  -7.636  20.183  -2.977
  448   1HD   LYS  63          2HD       LYS  63  -7.432  20.830  -0.681
  449   2HD   LYS  63          1HD       LYS  63  -7.242  22.534  -1.127
  450   1HE   LYS  63          2HE       LYS  63  -9.550  22.411  -2.125
  451   2HE   LYS  63          1HE       LYS  63  -9.706  20.820  -1.379
  452   1HZ   LYS  63          1HZ       LYS  63  -9.336  23.429  -0.009
  453   2HZ   LYS  63          2HZ       LYS  63  -9.204  21.939   0.782
  454   3HZ   LYS  63          3HZ       LYS  63 -10.678  22.392   0.087
  455    H    LEU  64           H        LEU  64  -6.215  18.508  -0.653
  456    HA   LEU  64           HA       LEU  64  -4.980  19.610   1.717
  457   1HB   LEU  64          2HB       LEU  64  -6.903  21.096   1.354
  458   2HB   LEU  64          1HB       LEU  64  -7.971  19.701   1.362
  459    HG   LEU  64           HG       LEU  64  -7.313  19.247   3.709
  460   1HD1  LEU  64          1HD1      LEU  64  -5.856  21.872   3.468
  461   2HD1  LEU  64          2HD1      LEU  64  -5.117  20.284   3.680
  462   3HD1  LEU  64          3HD1      LEU  64  -6.117  20.970   4.961
  463   1HD2  LEU  64          1HD2      LEU  64  -8.577  21.069   4.700
  464   2HD2  LEU  64          2HD2      LEU  64  -9.329  20.541   3.195
  465   3HD2  LEU  64          3HD2      LEU  64  -8.378  22.027   3.235
  466    H    LEU  65           H        LEU  65  -8.079  17.926   1.554
  467    HA   LEU  65           HA       LEU  65  -7.172  15.358   2.104
  468   1HB   LEU  65          2HB       LEU  65  -6.866  17.132   4.303
  469   2HB   LEU  65          1HB       LEU  65  -8.153  16.008   4.688
  470    HG   LEU  65           HG       LEU  65  -5.337  15.261   3.893
  471   1HD1  LEU  65          1HD1      LEU  65  -5.504  16.206   6.143
  472   2HD1  LEU  65          2HD1      LEU  65  -5.146  14.480   6.195
  473   3HD1  LEU  65          3HD1      LEU  65  -6.781  15.051   6.534
  474   1HD2  LEU  65          1HD2      LEU  65  -6.017  12.978   4.463
  475   2HD2  LEU  65          2HD2      LEU  65  -6.932  13.617   3.098
  476   3HD2  LEU  65          3HD2      LEU  65  -7.673  13.535   4.698
  477    H    GLY  66           H        GLY  66  -8.819  14.398   1.220
  478   1HA   GLY  66          2HA       GLY  66 -11.561  15.136   1.703
  479   2HA   GLY  66          1HA       GLY  66 -10.990  13.757   0.790
  480    H    ALA  67           H        ALA  67 -11.020  14.959   4.111
  481    HA   ALA  67           HA       ALA  67 -11.480  13.952   6.110
  482   1HB   ALA  67          1HB       ALA  67 -12.600  11.813   6.239
  483   2HB   ALA  67          2HB       ALA  67 -12.237  11.482   4.544
  484   3HB   ALA  67          3HB       ALA  67 -13.349  12.785   4.971
  485    H    GLY  68           H        GLY  68 -10.283  11.303   4.085
  486   1HA   GLY  68          2HA       GLY  68  -7.664  11.452   5.321
  487   2HA   GLY  68          1HA       GLY  68  -8.579   9.992   5.681
  488    H    GLY  69           H        GLY  69  -8.677  11.788   2.655
  489   1HA   GLY  69          2HA       GLY  69  -8.467  11.019   0.482
  490   2HA   GLY  69          1HA       GLY  69  -6.917  10.410   1.056
  491    H    THR  70           H        THR  70  -6.849   8.377   0.092
  492    HA   THR  70           HA       THR  70  -6.787   6.526   1.802
  493    HB   THR  70           HB       THR  70  -9.673   6.144   0.928
  494    HG1  THR  70           1HG      THR  70  -9.444   7.842   2.505
  495   1HG2  THR  70          1HG2      THR  70  -7.935   4.713   2.940
  496   2HG2  THR  70          2HG2      THR  70  -8.461   4.072   1.379
  497   3HG2  THR  70          3HG2      THR  70  -9.646   4.394   2.648
  498    H    GLU  71           H        GLU  71  -5.282   5.893   0.445
  499    HA   GLU  71           HA       GLU  71  -5.999   4.997  -2.256
  500   1HB   GLU  71          2HB       GLU  71  -3.313   5.708  -1.051
  501   2HB   GLU  71          1HB       GLU  71  -3.585   5.235  -2.722
  502   1HG   GLU  71          2HG       GLU  71  -5.073   7.234  -2.950
  503   2HG   GLU  71          1HG       GLU  71  -4.533   7.729  -1.347
  504    H    HIS  72           H        HIS  72  -6.168   2.802  -2.506
  505    HA   HIS  72           HA       HIS  72  -4.765   1.172  -0.489
  506   1HB   HIS  72          2HB       HIS  72  -7.035   0.195  -2.181
  507   2HB   HIS  72          1HB       HIS  72  -6.355  -0.542  -0.752
  508    HD1  HIS  72           1HD      HIS  72  -8.516  -0.715   0.463
  509    HD2  HIS  72           2HD      HIS  72  -7.603   3.199  -0.628
  510    HE1  HIS  72           1HE      HIS  72 -10.226   0.707   1.558
  511    HE2  HIS  72           2HE      HIS  72  -9.851   3.022   0.672
  512    H    PHE  73           H        PHE  73  -3.523  -0.474  -1.044
  513    HA   PHE  73           HA       PHE  73  -3.261  -1.170  -3.886
  514   1HB   PHE  73          2HB       PHE  73  -1.285  -0.958  -1.654
  515   2HB   PHE  73          1HB       PHE  73  -0.988  -2.134  -2.934
  516    HD1  PHE  73           1HD      PHE  73   0.188  -1.447  -4.796
  517    HD2  PHE  73           2HD      PHE  73  -1.933   1.442  -2.499
  518    HE1  PHE  73           1HE      PHE  73   1.116   0.351  -6.198
  519    HE2  PHE  73           2HE      PHE  73  -1.007   3.242  -3.898
  520    HZ   PHE  73           HZ       PHE  73   0.446   2.679  -5.816
  521    H    HIS  74           H        HIS  74  -4.231  -3.015  -4.322
  522    HA   HIS  74           HA       HIS  74  -4.731  -4.891  -2.113
  523   1HB   HIS  74          2HB       HIS  74  -6.181  -4.268  -4.672
  524   2HB   HIS  74          1HB       HIS  74  -6.443  -5.796  -3.850
  525    HD1  HIS  74           1HD      HIS  74  -8.918  -5.100  -3.545
  526    HD2  HIS  74           2HD      HIS  74  -6.189  -2.655  -1.546
  527    HE1  HIS  74           1HE      HIS  74 -10.260  -3.795  -1.888
  528    HE2  HIS  74           2HE      HIS  74  -8.543  -2.640  -0.471
  529    H    VAL  75           H        VAL  75  -3.282  -6.574  -2.117
  530    HA   VAL  75           HA       VAL  75  -2.687  -7.673  -4.770
  531    HB   VAL  75           HB       VAL  75  -0.770  -8.789  -3.951
  532   1HG1  VAL  75          1HG1      VAL  75  -0.782  -6.082  -2.634
  533   2HG1  VAL  75          2HG1      VAL  75  -0.463  -6.398  -4.341
  534   3HG1  VAL  75          3HG1      VAL  75   0.639  -7.017  -3.110
  535   1HG2  VAL  75          1HG2      VAL  75  -1.647  -8.043  -1.177
  536   2HG2  VAL  75          2HG2      VAL  75  -0.082  -8.770  -1.582
  537   3HG2  VAL  75          3HG2      VAL  75  -1.581  -9.660  -1.886
  538    H    THR  76           H        THR  76  -3.823  -9.308  -5.363
  539    HA   THR  76           HA       THR  76  -5.259 -10.872  -3.342
  540    HB   THR  76           HB       THR  76  -5.712 -10.950  -6.335
  541    HG1  THR  76           1HG      THR  76  -6.269  -8.897  -6.047
  542   1HG2  THR  76          1HG2      THR  76  -7.964 -11.682  -5.678
  543   2HG2  THR  76          2HG2      THR  76  -7.505 -11.561  -3.979
  544   3HG2  THR  76          3HG2      THR  76  -6.723 -12.750  -5.022
  545    H    VAL  77           H        VAL  77  -3.995 -12.521  -2.753
  546    HA   VAL  77           HA       VAL  77  -2.963 -14.341  -4.739
  547    HB   VAL  77           HB       VAL  77  -1.151 -12.747  -4.732
  548   1HG1  VAL  77          1HG1      VAL  77   0.080 -12.177  -2.681
  549   2HG1  VAL  77          2HG1      VAL  77  -1.119 -13.056  -1.734
  550   3HG1  VAL  77          3HG1      VAL  77  -1.593 -11.619  -2.638
  551   1HG2  VAL  77          1HG2      VAL  77   0.707 -14.148  -4.000
  552   2HG2  VAL  77          2HG2      VAL  77  -0.526 -15.111  -4.815
  553   3HG2  VAL  77          3HG2      VAL  77  -0.402 -15.143  -3.053
  554    H    LYS  78           H        LYS  78  -2.822 -16.369  -3.962
  555    HA   LYS  78           HA       LYS  78  -2.409 -16.667  -1.090
  556   1HB   LYS  78          2HB       LYS  78  -3.584 -18.988  -1.503
  557   2HB   LYS  78          1HB       LYS  78  -4.509 -17.544  -1.140
  558   1HG   LYS  78          2HG       LYS  78  -5.705 -18.457  -2.863
  559   2HG   LYS  78          1HG       LYS  78  -4.681 -17.306  -3.712
  560   1HD   LYS  78          2HD       LYS  78  -4.763 -19.387  -4.933
  561   2HD   LYS  78          1HD       LYS  78  -3.139 -19.147  -4.297
  562   1HE   LYS  78          2HE       LYS  78  -5.210 -20.835  -2.901
  563   2HE   LYS  78          1HE       LYS  78  -4.115 -21.485  -4.116
  564   1HZ   LYS  78          1HZ       LYS  78  -2.242 -20.822  -2.731
  565   2HZ   LYS  78          2HZ       LYS  78  -3.278 -21.865  -1.889
  566   3HZ   LYS  78          3HZ       LYS  78  -3.300 -20.204  -1.561
  567    H    ALA  79           H        ALA  79  -0.319 -17.054  -1.004
  568    HA   ALA  79           HA       ALA  79   0.759 -19.461  -2.056
  569   1HB   ALA  79          1HB       ALA  79   0.859 -18.103  -4.105
  570   2HB   ALA  79          2HB       ALA  79   2.471 -18.500  -3.509
  571   3HB   ALA  79          3HB       ALA  79   1.805 -16.889  -3.244
  572    H    ALA  80           H        ALA  80   2.587 -20.051  -0.964
  573    HA   ALA  80           HA       ALA  80   2.991 -18.683   1.506
  574   1HB   ALA  80          1HB       ALA  80   2.969 -21.112   1.378
  575   2HB   ALA  80          2HB       ALA  80   4.499 -20.528   2.032
  576   3HB   ALA  80          3HB       ALA  80   4.408 -21.081   0.360
  577    H    GLY  81           H        GLY  81   3.990 -16.766   1.296
  578   1HA   GLY  81          2HA       GLY  81   6.844 -16.791   0.968
  579   2HA   GLY  81          1HA       GLY  81   6.024 -15.943  -0.340
  580    H    THR  82           H        THR  82   7.736 -14.538   1.342
  581    HA   THR  82           HA       THR  82   5.885 -13.202   3.180
  582    HB   THR  82           HB       THR  82   8.845 -12.649   2.987
  583    HG1  THR  82           1HG      THR  82   8.697 -14.841   3.448
  584   1HG2  THR  82          1HG2      THR  82   7.500 -11.032   4.239
  585   2HG2  THR  82          2HG2      THR  82   8.530 -11.959   5.331
  586   3HG2  THR  82          3HG2      THR  82   6.810 -12.339   5.203
  587    H    HIS  83           H        HIS  83   5.208 -11.183   2.892
  588    HA   HIS  83           HA       HIS  83   5.744 -10.044   0.240
  589   1HB   HIS  83          2HB       HIS  83   3.347 -10.781   1.071
  590   2HB   HIS  83          1HB       HIS  83   3.410  -9.284   1.984
  591    HD1  HIS  83           1HD      HIS  83   4.054  -7.097   0.398
  592    HD2  HIS  83           2HD      HIS  83   2.289 -10.400  -1.403
  593    HE1  HIS  83           1HE      HIS  83   3.099  -6.237  -1.759
  594    HE2  HIS  83           2HE      HIS  83   2.156  -8.292  -2.907
  595    H    ALA  84           H        ALA  84   7.310  -8.532   0.459
  596    HA   ALA  84           HA       ALA  84   7.147  -6.688   2.731
  597   1HB   ALA  84          1HB       ALA  84   9.420  -6.008   2.118
  598   2HB   ALA  84          2HB       ALA  84   9.371  -7.089   0.727
  599   3HB   ALA  84          3HB       ALA  84   9.323  -7.753   2.358
  600    H    VAL  85           H        VAL  85   6.092  -4.876   2.421
  601    HA   VAL  85           HA       VAL  85   5.579  -4.069  -0.370
  602    HB   VAL  85           HB       VAL  85   3.970  -3.092   1.952
  603   1HG1  VAL  85          1HG1      VAL  85   2.176  -3.078   0.269
  604   2HG1  VAL  85          2HG1      VAL  85   3.328  -3.668  -0.929
  605   3HG1  VAL  85          3HG1      VAL  85   3.556  -2.082  -0.192
  606   1HG2  VAL  85          1HG2      VAL  85   3.558  -5.749   0.596
  607   2HG2  VAL  85          2HG2      VAL  85   2.483  -5.010   1.783
  608   3HG2  VAL  85          3HG2      VAL  85   4.109  -5.512   2.256
  609    H    ASN  86           H        ASN  86   7.093  -2.588  -0.866
  610    HA   ASN  86           HA       ASN  86   7.379  -0.264   0.928
  611   1HB   ASN  86          2HB       ASN  86   9.199  -1.305  -1.261
  612   2HB   ASN  86          1HB       ASN  86   9.417   0.252  -0.479
  613   1HD2  ASN  86          1HD2      ASN  86   8.435  -2.743   1.104
  614   2HD2  ASN  86          2HD2      ASN  86   9.857  -2.899   2.069
  615    H    LEU  87           H        LEU  87   5.883   1.145   0.367
  616    HA   LEU  87           HA       LEU  87   5.305   1.561  -2.482
  617   1HB   LEU  87          2HB       LEU  87   3.681   2.206  -0.022
  618   2HB   LEU  87          1HB       LEU  87   3.218   2.636  -1.659
  619    HG   LEU  87           HG       LEU  87   3.632  -0.215  -0.750
  620   1HD1  LEU  87          1HD1      LEU  87   1.786   0.836   0.482
  621   2HD1  LEU  87          2HD1      LEU  87   1.210  -0.372  -0.670
  622   3HD1  LEU  87          3HD1      LEU  87   1.067   1.345  -1.050
  623   1HD2  LEU  87          1HD2      LEU  87   2.416  -0.741  -2.781
  624   2HD2  LEU  87          2HD2      LEU  87   3.895   0.153  -3.128
  625   3HD2  LEU  87          3HD2      LEU  87   2.334   0.975  -3.184
  626    H    THR  88           H        THR  88   5.841   3.427  -3.411
  627    HA   THR  88           HA       THR  88   7.083   5.456  -1.701
  628    HB   THR  88           HB       THR  88   7.399   5.189  -4.692
  629    HG1  THR  88           1HG      THR  88   8.235   3.301  -4.053
  630   1HG2  THR  88          1HG2      THR  88   9.503   6.382  -4.268
  631   2HG2  THR  88          2HG2      THR  88   9.138   6.421  -2.543
  632   3HG2  THR  88          3HG2      THR  88   8.124   7.310  -3.679
  633    H    TYR  89           H        TYR  89   6.066   7.272  -1.393
  634    HA   TYR  89           HA       TYR  89   3.713   8.003  -2.933
  635   1HB   TYR  89          2HB       TYR  89   3.814   8.092  -0.413
  636   2HB   TYR  89          1HB       TYR  89   4.995   9.385  -0.557
  637    HD1  TYR  89           1HD      TYR  89   1.476   8.473  -0.988
  638    HD2  TYR  89           2HD      TYR  89   4.319  11.617  -1.158
  639    HE1  TYR  89           1HE      TYR  89  -0.353  10.106  -1.054
  640    HE2  TYR  89           2HE      TYR  89   2.496  13.259  -1.224
  641    HH   TYR  89           HH       TYR  89  -0.135  13.021  -2.119
  642    H    MET  90           H        MET  90   4.306   8.860  -4.875
  643    HA   MET  90           HA       MET  90   6.237  11.094  -4.878
  644   1HB   MET  90          2HB       MET  90   6.150   8.800  -6.828
  645   2HB   MET  90          1HB       MET  90   7.112  10.247  -7.035
  646   1HG   MET  90          2HG       MET  90   8.325   9.670  -4.964
  647   2HG   MET  90          1HG       MET  90   7.412   8.162  -4.909
  648   1HE   MET  90          1HE       MET  90   7.242   8.162  -8.298
  649   2HE   MET  90          2HE       MET  90   7.269   6.672  -7.350
  650   3HE   MET  90          3HE       MET  90   8.450   6.919  -8.636
  651    H    ARG  91           H        ARG  91   5.992  12.588  -6.592
  652    HA   ARG  91           HA       ARG  91   3.535  12.829  -7.963
  653   1HB   ARG  91          2HB       ARG  91   6.229  14.090  -8.140
  654   2HB   ARG  91          1HB       ARG  91   5.283  14.102  -9.632
  655   1HG   ARG  91          2HG       ARG  91   3.435  15.184  -8.421
  656   2HG   ARG  91          1HG       ARG  91   4.440  15.228  -6.972
  657   1HD   ARG  91          2HD       ARG  91   6.050  16.652  -8.096
  658   2HD   ARG  91          1HD       ARG  91   5.132  16.544  -9.599
  659    HE   ARG  91           HE       ARG  91   3.319  17.542  -7.868
  660   1HH1  ARG  91          1HH1      ARG  91   6.570  18.518  -8.737
  661   2HH1  ARG  91          2HH1      ARG  91   6.305  20.190  -8.348
  662   1HH2  ARG  91          1HH2      ARG  91   2.953  19.723  -7.383
  663   2HH2  ARG  91          2HH2      ARG  91   4.237  20.884  -7.589
  664    HA   PRO  92           HA       PRO  92   4.121   8.939 -10.025
  665   1HB   PRO  92          2HB       PRO  92   2.196   9.507 -12.038
  666   2HB   PRO  92          1HB       PRO  92   1.955   8.599 -10.544
  667   1HG   PRO  92          2HG       PRO  92   1.332  11.433 -11.155
  668   2HG   PRO  92          1HG       PRO  92   0.538  10.315 -10.032
  669   1HD   PRO  92          2HD       PRO  92   2.121  12.302  -9.166
  670   2HD   PRO  92          1HD       PRO  92   2.064  10.729  -8.345
  671    H    TRP  93           H        TRP  93   4.172  11.940 -11.904
  672    HA   TRP  93           HA       TRP  93   5.364  10.574 -14.169
  673   1HB   TRP  93          2HB       TRP  93   5.349  12.864 -15.212
  674   2HB   TRP  93          1HB       TRP  93   3.769  12.237 -14.764
  675    HD1  TRP  93           HD       TRP  93   6.183  15.063 -14.038
  676    HE1  TRP  93           1HE      TRP  93   5.035  16.790 -12.502
  677    HE3  TRP  93           3HE      TRP  93   1.984  12.407 -12.838
  678    HZ2  TRP  93           2HZ      TRP  93   2.663  16.987 -10.994
  679    HZ3  TRP  93           3HZ      TRP  93   0.326  13.436 -11.344
  680    HH2  TRP  93           HH       TRP  93   0.659  15.680 -10.441
  681    H    THR  94           H        THR  94   6.570  11.724 -11.323
  682    HA   THR  94           HA       THR  94   9.252  11.591 -12.287
  683    HB   THR  94           HB       THR  94   9.035  13.846 -12.956
  684    HG1  THR  94           1HG      THR  94  10.798  13.199 -11.268
  685   1HG2  THR  94          1HG2      THR  94   6.961  14.410 -11.798
  686   2HG2  THR  94          2HG2      THR  94   8.191  15.643 -11.519
  687   3HG2  THR  94          3HG2      THR  94   7.823  14.465 -10.260
  688    H    GLY  95           H        GLY  95   7.667  13.204  -9.488
  689   1HA   GLY  95          2HA       GLY  95   7.779  12.702  -7.219
  690   2HA   GLY  95          1HA       GLY  95   8.471  11.139  -7.679
  691    HA   PRO  96           HA       PRO  96  11.909  14.931  -7.364
  692   1HB   PRO  96          2HB       PRO  96  10.250  15.543  -4.930
  693   2HB   PRO  96          1HB       PRO  96  11.379  16.582  -5.794
  694   1HG   PRO  96          2HG       PRO  96   8.763  16.754  -6.238
  695   2HG   PRO  96          1HG       PRO  96   9.933  16.941  -7.555
  696   1HD   PRO  96          2HD       PRO  96   8.052  14.746  -7.029
  697   2HD   PRO  96          1HD       PRO  96   8.902  15.165  -8.528
  698    H    SER  97           H        SER  97  13.543  13.726  -6.791
  699    HA   SER  97           HA       SER  97  13.582  11.343  -5.562
  700   1HB   SER  97          2HB       SER  97  16.046  11.876  -5.075
  701   2HB   SER  97          1HB       SER  97  15.494  12.008  -6.746
  702    HG   SER  97           HG       SER  97  16.703  13.832  -6.199
  703    H    HIS  98           H        HIS  98  14.420  14.369  -3.839
  704    HA   HIS  98           HA       HIS  98  14.355  12.809  -1.361
  705   1HB   HIS  98          2HB       HIS  98  15.636  14.580  -0.323
  706   2HB   HIS  98          1HB       HIS  98  16.415  14.101  -1.822
  707    HD1  HIS  98           1HD      HIS  98  14.720  16.974  -0.151
  708    HD2  HIS  98           2HD      HIS  98  16.420  16.071  -3.845
  709    HE1  HIS  98           1HE      HIS  98  14.967  19.172  -1.343
  710    HE2  HIS  98           2HE      HIS  98  15.963  18.607  -3.591
  711    H    ASP  99           H        ASP  99  11.963  13.975  -2.889
  712    HA   ASP  99           HA       ASP  99  10.870  15.402  -0.545
  713   1HB   ASP  99          2HB       ASP  99  11.276  16.772  -2.708
  714   2HB   ASP  99          1HB       ASP  99   9.878  15.906  -3.342
  715    H    SER 100           H        SER 100  10.863  12.591  -2.000
  716    HA   SER 100           HA       SER 100   7.979  12.152  -2.036
  717   1HB   SER 100          2HB       SER 100  10.243  10.333  -2.891
  718   2HB   SER 100          1HB       SER 100   8.521  10.033  -3.138
  719    HG   SER 100           HG       SER 100  10.105  12.102  -4.268
  720    H    GLU 101           H        GLU 101   6.992  10.569  -0.803
  721    HA   GLU 101           HA       GLU 101   8.437   9.773   1.632
  722   1HB   GLU 101          2HB       GLU 101   6.390  11.029   2.019
  723   2HB   GLU 101          1HB       GLU 101   5.481   9.942   0.983
  724   1HG   GLU 101          2HG       GLU 101   4.974   9.482   3.280
  725   2HG   GLU 101          1HG       GLU 101   5.858   8.124   2.595
  726    H    ARG 102           H        ARG 102   7.849   7.499   2.465
  727    HA   ARG 102           HA       ARG 102   6.833   5.686   0.464
  728   1HB   ARG 102          2HB       ARG 102   9.325   5.923  -0.004
  729   2HB   ARG 102          1HB       ARG 102   9.610   5.163   1.556
  730   1HG   ARG 102          2HG       ARG 102   8.549   3.145   0.847
  731   2HG   ARG 102          1HG       ARG 102   8.002   3.898  -0.649
  732   1HD   ARG 102          2HD       ARG 102  10.515   4.271  -1.112
  733   2HD   ARG 102          1HD       ARG 102  10.766   3.053   0.144
  734    HE   ARG 102           HE       ARG 102   8.881   2.222  -1.846
  735   1HH1  ARG 102          1HH1      ARG 102  12.309   2.437  -1.141
  736   2HH1  ARG 102          2HH1      ARG 102  12.735   1.159  -2.241
  737   1HH2  ARG 102          1HH2      ARG 102   9.446   0.562  -3.295
  738   2HH2  ARG 102          2HH2      ARG 102  11.106   0.095  -3.469
  739    H    PHE 103           H        PHE 103   5.992   3.920   1.241
  740    HA   PHE 103           HA       PHE 103   5.834   3.588   4.153
  741   1HB   PHE 103          2HB       PHE 103   3.647   3.850   3.445
  742   2HB   PHE 103          1HB       PHE 103   3.974   3.192   1.850
  743    HD1  PHE 103           1HD      PHE 103   2.976   2.486   5.259
  744    HD2  PHE 103           2HD      PHE 103   3.942   0.795   1.481
  745    HE1  PHE 103           1HE      PHE 103   1.934   0.376   5.944
  746    HE2  PHE 103           2HE      PHE 103   2.897  -1.319   2.159
  747    HZ   PHE 103           HZ       PHE 103   1.935  -1.548   4.389
  748    H    THR 104           H        THR 104   5.788   1.320   4.951
  749    HA   THR 104           HA       THR 104   6.716  -0.735   3.189
  750    HB   THR 104           HB       THR 104   8.612   0.401   5.259
  751    HG1  THR 104           1HG      THR 104   8.348   0.878   2.690
  752   1HG2  THR 104          1HG2      THR 104   8.849  -2.150   3.662
  753   2HG2  THR 104          2HG2      THR 104   8.641  -2.023   5.410
  754   3HG2  THR 104          3HG2      THR 104  10.126  -1.442   4.652
  755    H    VAL 105           H        VAL 105   5.048  -2.040   3.949
  756    HA   VAL 105           HA       VAL 105   5.353  -2.829   6.765
  757    HB   VAL 105           HB       VAL 105   3.036  -2.326   6.050
  758   1HG1  VAL 105          1HG1      VAL 105   3.383  -4.712   4.242
  759   2HG1  VAL 105          2HG1      VAL 105   3.197  -3.036   3.726
  760   3HG1  VAL 105          3HG1      VAL 105   1.871  -3.857   4.548
  761   1HG2  VAL 105          1HG2      VAL 105   3.453  -5.244   6.683
  762   2HG2  VAL 105          2HG2      VAL 105   2.011  -4.283   7.018
  763   3HG2  VAL 105          3HG2      VAL 105   3.518  -3.937   7.862
  764    H    TYR 106           H        TYR 106   6.058  -4.778   7.323
  765    HA   TYR 106           HA       TYR 106   6.812  -6.646   5.189
  766   1HB   TYR 106          2HB       TYR 106   7.705  -6.433   8.063
  767   2HB   TYR 106          1HB       TYR 106   8.159  -7.740   6.989
  768    HD1  TYR 106           1HD      TYR 106   9.763  -7.360   5.180
  769    HD2  TYR 106           2HD      TYR 106   8.673  -4.236   7.852
  770    HE1  TYR 106           1HE      TYR 106  11.671  -6.029   4.393
  771    HE2  TYR 106           2HE      TYR 106  10.584  -2.898   7.077
  772    HH   TYR 106           HH       TYR 106  12.696  -3.145   5.982
  773    H    LEU 107           H        LEU 107   5.125  -7.946   4.826
  774    HA   LEU 107           HA       LEU 107   3.895  -9.240   7.165
  775   1HB   LEU 107          2HB       LEU 107   1.749  -9.145   6.125
  776   2HB   LEU 107          1HB       LEU 107   2.421  -7.532   6.087
  777    HG   LEU 107           HG       LEU 107   3.209  -8.414   3.657
  778   1HD1  LEU 107          1HD1      LEU 107   1.349  -9.604   2.620
  779   2HD1  LEU 107          2HD1      LEU 107   0.560  -9.744   4.192
  780   3HD1  LEU 107          3HD1      LEU 107   2.095 -10.562   3.900
  781   1HD2  LEU 107          1HD2      LEU 107   2.061  -6.326   4.152
  782   2HD2  LEU 107          2HD2      LEU 107   0.540  -7.198   4.331
  783   3HD2  LEU 107          3HD2      LEU 107   1.342  -7.139   2.762
  784    H    LYS 108           H        LYS 108   3.374 -11.470   6.868
  785    HA   LYS 108           HA       LYS 108   4.757 -12.639   4.545
  786   1HB   LYS 108          2HB       LYS 108   5.474 -13.347   6.847
  787   2HB   LYS 108          1HB       LYS 108   3.883 -14.070   7.053
  788   1HG   LYS 108          2HG       LYS 108   4.337 -15.410   4.978
  789   2HG   LYS 108          1HG       LYS 108   5.998 -14.826   5.058
  790   1HD   LYS 108          2HD       LYS 108   4.611 -16.328   7.275
  791   2HD   LYS 108          1HD       LYS 108   5.698 -17.058   6.093
  792   1HE   LYS 108          2HE       LYS 108   6.461 -14.806   7.944
  793   2HE   LYS 108          1HE       LYS 108   6.777 -16.509   8.271
  794   1HZ   LYS 108          1HZ       LYS 108   8.183 -16.634   6.360
  795   2HZ   LYS 108          2HZ       LYS 108   8.684 -15.310   7.295
  796   3HZ   LYS 108          3HZ       LYS 108   7.789 -15.055   5.881
  797    H    ALA 109           H        ALA 109   3.611 -13.583   2.995
  798    HA   ALA 109           HA       ALA 109   0.701 -13.703   3.383
  799   1HB   ALA 109          1HB       ALA 109   0.583 -13.556   0.927
  800   2HB   ALA 109          2HB       ALA 109   2.344 -13.495   0.860
  801   3HB   ALA 109          3HB       ALA 109   1.446 -12.189   1.632
  802    H    ASN 110           H        ASN 110  -0.338 -15.586   3.271
  803    HA   ASN 110           HA       ASN 110   0.269 -17.812   1.773
  804   1HB   ASN 110          2HB       ASN 110   1.307 -19.396   3.323
  805   2HB   ASN 110          1HB       ASN 110   2.372 -18.037   3.019
  806   1HD2  ASN 110          1HD2      ASN 110   1.409 -16.159   4.802
  807   2HD2  ASN 110          2HD2      ASN 110   1.608 -16.744   6.414
  Start of MODEL    6
    1    H    HIS   3           H        HIS   3  -6.068 -10.078   4.561
    2    HA   HIS   3           HA       HIS   3  -5.244  -8.886   7.126
    3   1HB   HIS   3          2HB       HIS   3  -3.504 -10.450   6.640
    4   2HB   HIS   3          1HB       HIS   3  -3.601 -10.086   4.913
    5    HD1  HIS   3           1HD      HIS   3  -2.723  -8.126   8.076
    6    HD2  HIS   3           2HD      HIS   3  -1.539  -8.576   4.101
    7    HE1  HIS   3           1HE      HIS   3  -0.802  -6.536   7.753
    8    HE2  HIS   3           2HE      HIS   3  -0.229  -6.689   5.304
    9    H    LYS   4           H        LYS   4  -5.045  -6.723   7.106
   10    HA   LYS   4           HA       LYS   4  -4.877  -5.387   4.501
   11   1HB   LYS   4          2HB       LYS   4  -6.507  -3.731   5.216
   12   2HB   LYS   4          1HB       LYS   4  -7.200  -5.349   5.307
   13   1HG   LYS   4          2HG       LYS   4  -7.014  -5.394   7.671
   14   2HG   LYS   4          1HG       LYS   4  -6.028  -3.932   7.687
   15   1HD   LYS   4          2HD       LYS   4  -7.957  -2.655   6.826
   16   2HD   LYS   4          1HD       LYS   4  -8.934  -4.126   6.890
   17   1HE   LYS   4          2HE       LYS   4  -8.645  -4.263   9.283
   18   2HE   LYS   4          1HE       LYS   4  -7.547  -2.884   9.263
   19   1HZ   LYS   4          1HZ       LYS   4 -10.427  -2.801   8.521
   20   2HZ   LYS   4          2HZ       LYS   4  -9.368  -1.471   8.549
   21   3HZ   LYS   4          3HZ       LYS   4  -9.769  -2.269   9.992
   22    H    VAL   5           H        VAL   5  -3.604  -3.557   4.445
   23    HA   VAL   5           HA       VAL   5  -2.391  -2.810   7.021
   24    HB   VAL   5           HB       VAL   5  -1.173  -2.978   4.301
   25   1HG1  VAL   5          1HG1      VAL   5   0.647  -1.434   5.044
   26   2HG1  VAL   5          2HG1      VAL   5  -0.427  -0.897   6.340
   27   3HG1  VAL   5          3HG1      VAL   5  -0.883  -0.639   4.657
   28   1HG2  VAL   5          1HG2      VAL   5  -0.105  -3.352   7.092
   29   2HG2  VAL   5          2HG2      VAL   5   0.716  -3.769   5.590
   30   3HG2  VAL   5          3HG2      VAL   5  -0.747  -4.636   6.063
   31    H    THR   6           H        THR   6  -2.679  -0.884   7.785
   32    HA   THR   6           HA       THR   6  -3.552   1.274   6.011
   33    HB   THR   6           HB       THR   6  -4.316   2.334   8.272
   34    HG1  THR   6           1HG      THR   6  -5.025   0.731   9.760
   35   1HG2  THR   6          1HG2      THR   6  -6.537   1.314   8.001
   36   2HG2  THR   6          2HG2      THR   6  -5.831   0.073   6.963
   37   3HG2  THR   6          3HG2      THR   6  -5.822   1.762   6.452
   38    H    LYS   7           H        LYS   7  -2.916   3.487   7.093
   39    HA   LYS   7           HA       LYS   7  -0.403   4.008   6.412
   40   1HB   LYS   7          2HB       LYS   7  -2.017   5.731   7.001
   41   2HB   LYS   7          1HB       LYS   7  -1.818   5.356   8.707
   42   1HG   LYS   7          2HG       LYS   7  -0.510   7.250   8.383
   43   2HG   LYS   7          1HG       LYS   7   0.649   5.921   8.359
   44   1HD   LYS   7          2HD       LYS   7   0.077   6.066   5.722
   45   2HD   LYS   7          1HD       LYS   7  -0.213   7.742   6.196
   46   1HE   LYS   7          2HE       LYS   7   2.321   6.195   6.724
   47   2HE   LYS   7          1HE       LYS   7   2.098   7.401   5.460
   48   1HZ   LYS   7          1HZ       LYS   7   3.232   8.257   7.458
   49   2HZ   LYS   7          2HZ       LYS   7   1.836   7.957   8.373
   50   3HZ   LYS   7          3HZ       LYS   7   1.800   9.094   7.114
   51    H    ALA   8           H        ALA   8  -1.175   3.119   9.815
   52    HA   ALA   8           HA       ALA   8   1.325   3.731  10.900
   53   1HB   ALA   8          1HB       ALA   8  -0.546   1.555  11.812
   54   2HB   ALA   8          2HB       ALA   8  -0.678   3.263  12.238
   55   3HB   ALA   8          3HB       ALA   8   0.718   2.325  12.770
   56    H    HIS   9           H        HIS   9   0.295   0.888   9.154
   57    HA   HIS   9           HA       HIS   9   2.415  -0.829   9.901
   58   1HB   HIS   9          2HB       HIS   9   0.754  -0.790   7.390
   59   2HB   HIS   9          1HB       HIS   9   1.891  -2.061   7.802
   60    HD1  HIS   9           1HD      HIS   9  -1.462  -0.717   8.650
   61    HD2  HIS   9           2HD      HIS   9   1.001  -3.854   9.793
   62    HE1  HIS   9           1HE      HIS   9  -2.985  -2.422   9.694
   63    HE2  HIS   9           2HE      HIS   9  -1.440  -4.190  10.611
   64    H    ASN  10           H        ASN  10   2.493   2.032   8.227
   65    HA   ASN  10           HA       ASN  10   4.427   1.918   6.307
   66   1HB   ASN  10          2HB       ASN  10   3.436   4.040   6.967
   67   2HB   ASN  10          1HB       ASN  10   4.122   3.894   8.587
   68   1HD2  ASN  10          1HD2      ASN  10   4.759   4.677   5.271
   69   2HD2  ASN  10          2HD2      ASN  10   6.320   5.373   5.519
   70    H    GLY  11           H        GLY  11   4.705   1.015   9.590
   71   1HA   GLY  11          2HA       GLY  11   7.480   0.200   9.101
   72   2HA   GLY  11          1HA       GLY  11   7.153   1.154  10.546
   73    H    ALA  12           H        ALA  12   5.704  -1.647   8.861
   74    HA   ALA  12           HA       ALA  12   5.364  -2.907  11.520
   75   1HB   ALA  12          1HB       ALA  12   3.569  -2.865   9.120
   76   2HB   ALA  12          2HB       ALA  12   3.213  -2.355  10.772
   77   3HB   ALA  12          3HB       ALA  12   3.395  -4.072  10.395
   78    H    THR  13           H        THR  13   5.795  -5.055  11.770
   79    HA   THR  13           HA       THR  13   6.323  -6.700   9.389
   80    HB   THR  13           HB       THR  13   7.912  -6.823  11.971
   81    HG1  THR  13           1HG      THR  13   8.864  -5.217  10.882
   82   1HG2  THR  13          1HG2      THR  13   8.145  -8.443   9.431
   83   2HG2  THR  13          2HG2      THR  13   7.583  -9.034  10.995
   84   3HG2  THR  13          3HG2      THR  13   9.257  -8.517  10.799
   85    H    LEU  14           H        LEU  14   4.899  -8.354   9.356
   86    HA   LEU  14           HA       LEU  14   4.127  -9.746  11.749
   87   1HB   LEU  14          2HB       LEU  14   1.803  -9.224  11.773
   88   2HB   LEU  14          1HB       LEU  14   2.687  -7.713  11.826
   89    HG   LEU  14           HG       LEU  14   1.423  -8.846   9.323
   90   1HD1  LEU  14          1HD1      LEU  14   0.423  -6.709  11.201
   91   2HD1  LEU  14          2HD1      LEU  14  -0.287  -8.305  10.963
   92   3HD1  LEU  14          3HD1      LEU  14  -0.295  -7.131   9.647
   93   1HD2  LEU  14          1HD2      LEU  14   2.486  -6.088   9.919
   94   2HD2  LEU  14          2HD2      LEU  14   1.791  -6.646   8.396
   95   3HD2  LEU  14          3HD2      LEU  14   3.322  -7.313   8.967
   96    H    THR  15           H        THR  15   2.503 -11.482  11.259
   97    HA   THR  15           HA       THR  15   2.957 -12.531   8.555
   98    HB   THR  15           HB       THR  15   2.093 -13.940  11.091
   99    HG1  THR  15           1HG      THR  15   4.306 -13.379  11.050
  100   1HG2  THR  15          1HG2      THR  15   1.097 -14.908   9.030
  101   2HG2  THR  15          2HG2      THR  15   2.227 -16.002   9.839
  102   3HG2  THR  15          3HG2      THR  15   2.729 -15.130   8.390
  103    H    VAL  16           H        VAL  16   1.224 -13.378   7.339
  104    HA   VAL  16           HA       VAL  16  -1.439 -12.501   8.257
  105    HB   VAL  16           HB       VAL  16  -1.975 -11.577   6.180
  106   1HG1  VAL  16          1HG1      VAL  16  -0.453 -10.171   7.430
  107   2HG1  VAL  16          2HG1      VAL  16  -0.151  -9.994   5.701
  108   3HG1  VAL  16          3HG1      VAL  16   0.934 -10.972   6.690
  109   1HG2  VAL  16          1HG2      VAL  16  -1.185 -13.367   4.743
  110   2HG2  VAL  16          2HG2      VAL  16   0.487 -12.869   5.021
  111   3HG2  VAL  16          3HG2      VAL  16  -0.623 -11.801   4.158
  112    H    ALA  17           H        ALA  17  -3.219 -13.694   7.488
  113    HA   ALA  17           HA       ALA  17  -2.573 -16.269   6.220
  114   1HB   ALA  17          1HB       ALA  17  -3.638 -16.535   8.377
  115   2HB   ALA  17          2HB       ALA  17  -4.785 -16.989   7.115
  116   3HB   ALA  17          3HB       ALA  17  -4.923 -15.422   7.914
  117    H    VAL  18           H        VAL  18  -2.961 -16.222   4.100
  118    HA   VAL  18           HA       VAL  18  -4.674 -14.124   3.030
  119    HB   VAL  18           HB       VAL  18  -3.708 -14.604   0.886
  120   1HG1  VAL  18          1HG1      VAL  18  -2.324 -13.220   2.254
  121   2HG1  VAL  18          2HG1      VAL  18  -1.274 -14.350   1.387
  122   3HG1  VAL  18          3HG1      VAL  18  -1.656 -14.622   3.089
  123   1HG2  VAL  18          1HG2      VAL  18  -2.144 -16.423   0.508
  124   2HG2  VAL  18          2HG2      VAL  18  -3.707 -17.045   1.040
  125   3HG2  VAL  18          3HG2      VAL  18  -2.356 -16.968   2.170
  126    H    GLY  19           H        GLY  19  -5.507 -15.182   0.666
  127   1HA   GLY  19          2HA       GLY  19  -6.593 -17.306  -0.095
  128   2HA   GLY  19          1HA       GLY  19  -7.323 -17.360   1.511
  129    H    GLU  20           H        GLU  20  -8.318 -15.029   2.030
  130    HA   GLU  20           HA       GLU  20 -10.336 -14.490   0.059
  131   1HB   GLU  20          2HB       GLU  20  -9.600 -12.831   2.482
  132   2HB   GLU  20          1HB       GLU  20 -11.121 -12.798   1.598
  133   1HG   GLU  20          2HG       GLU  20 -11.622 -15.055   2.350
  134   2HG   GLU  20          1HG       GLU  20 -10.084 -15.116   3.211
  135    H    LEU  21           H        LEU  21  -7.874 -12.498   1.616
  136    HA   LEU  21           HA       LEU  21  -6.927 -11.356  -0.802
  137   1HB   LEU  21          2HB       LEU  21  -9.045 -10.145  -0.643
  138   2HB   LEU  21          1HB       LEU  21  -8.684  -9.697   1.011
  139    HG   LEU  21           HG       LEU  21  -6.731  -8.376   0.141
  140   1HD1  LEU  21          1HD1      LEU  21  -6.641  -7.819  -2.194
  141   2HD1  LEU  21          2HD1      LEU  21  -8.051  -8.825  -2.528
  142   3HD1  LEU  21          3HD1      LEU  21  -6.537  -9.571  -2.012
  143   1HD2  LEU  21          1HD2      LEU  21  -8.835  -7.315   0.766
  144   2HD2  LEU  21          2HD2      LEU  21  -9.469  -7.601  -0.854
  145   3HD2  LEU  21          3HD2      LEU  21  -8.105  -6.507  -0.623
  146    H    VAL  22           H        VAL  22  -5.167  -9.857  -0.404
  147    HA   VAL  22           HA       VAL  22  -4.673  -9.257   2.401
  148    HB   VAL  22           HB       VAL  22  -2.855 -10.845   0.682
  149   1HG1  VAL  22          1HG1      VAL  22  -1.509  -8.881   0.573
  150   2HG1  VAL  22          2HG1      VAL  22  -0.827  -9.878   1.861
  151   3HG1  VAL  22          3HG1      VAL  22  -1.829  -8.484   2.256
  152   1HG2  VAL  22          1HG2      VAL  22  -2.068 -11.583   2.884
  153   2HG2  VAL  22          2HG2      VAL  22  -3.822 -11.687   2.733
  154   3HG2  VAL  22          3HG2      VAL  22  -3.094 -10.368   3.646
  155    H    GLU  23           H        GLU  23  -4.906  -7.095   2.460
  156    HA   GLU  23           HA       GLU  23  -4.062  -5.674   0.031
  157   1HB   GLU  23          2HB       GLU  23  -5.798  -4.182   0.162
  158   2HB   GLU  23          1HB       GLU  23  -6.549  -5.699   0.626
  159   1HG   GLU  23          2HG       GLU  23  -6.628  -5.064   2.907
  160   2HG   GLU  23          1HG       GLU  23  -5.582  -3.673   2.620
  161    H    ILE  24           H        ILE  24  -3.417  -3.557   0.188
  162    HA   ILE  24           HA       ILE  24  -2.238  -2.722   2.743
  163    HB   ILE  24           HB       ILE  24  -0.917  -2.515   0.033
  164   1HG1  ILE  24          2HG1      ILE  24  -0.893  -4.833   0.825
  165   2HG1  ILE  24          1HG1      ILE  24   0.726  -4.141   0.863
  166   1HG2  ILE  24          1HG2      ILE  24  -0.371  -0.668   1.499
  167   2HG2  ILE  24          2HG2      ILE  24   1.030  -1.716   1.276
  168   3HG2  ILE  24          3HG2      ILE  24   0.097  -1.796   2.771
  169   1HD1  ILE  24          1HD1      ILE  24  -1.103  -4.413   3.234
  170   2HD1  ILE  24          2HD1      ILE  24   0.556  -3.812   3.247
  171   3HD1  ILE  24          3HD1      ILE  24   0.231  -5.495   2.833
  172    H    GLN  25           H        GLN  25  -3.531  -0.952   3.150
  173    HA   GLN  25           HA       GLN  25  -4.019   0.817   0.861
  174   1HB   GLN  25          2HB       GLN  25  -6.109  -0.041   1.559
  175   2HB   GLN  25          1HB       GLN  25  -5.747   0.247   3.262
  176   1HG   GLN  25          2HG       GLN  25  -5.548   2.667   1.747
  177   2HG   GLN  25          1HG       GLN  25  -7.113   1.905   1.485
  178   1HE2  GLN  25          1HE2      GLN  25  -4.982   3.309   3.877
  179   2HE2  GLN  25          2HE2      GLN  25  -6.192   3.526   5.094
  180    H    LEU  26           H        LEU  26  -3.403   2.824   0.934
  181    HA   LEU  26           HA       LEU  26  -2.354   3.868   3.460
  182   1HB   LEU  26          2HB       LEU  26  -1.572   4.276   0.618
  183   2HB   LEU  26          1HB       LEU  26  -1.355   5.608   1.733
  184    HG   LEU  26           HG       LEU  26   0.712   4.407   1.537
  185   1HD1  LEU  26          1HD1      LEU  26   1.109   3.787   3.876
  186   2HD1  LEU  26          2HD1      LEU  26  -0.630   3.834   4.168
  187   3HD1  LEU  26          3HD1      LEU  26   0.230   5.309   3.721
  188   1HD2  LEU  26          1HD2      LEU  26  -0.797   1.953   2.425
  189   2HD2  LEU  26          2HD2      LEU  26   0.940   2.062   2.129
  190   3HD2  LEU  26          3HD2      LEU  26  -0.198   2.257   0.794
  191    HA   PRO  27           HA       PRO  27  -5.697   6.778   3.279
  192   1HB   PRO  27          2HB       PRO  27  -4.923   8.502   5.129
  193   2HB   PRO  27          1HB       PRO  27  -5.307   6.834   5.582
  194   1HG   PRO  27          2HG       PRO  27  -2.609   8.069   5.061
  195   2HG   PRO  27          1HG       PRO  27  -3.125   7.053   6.429
  196   1HD   PRO  27          2HD       PRO  27  -1.785   6.075   4.278
  197   2HD   PRO  27          1HD       PRO  27  -2.950   5.113   5.207
  198    H    SER  28           H        SER  28  -2.875   7.144   1.863
  199    HA   SER  28           HA       SER  28  -1.955   8.549   0.397
  200   1HB   SER  28          2HB       SER  28  -4.311   8.893  -0.395
  201   2HB   SER  28          1HB       SER  28  -4.425  10.267   0.704
  202    HG   SER  28           HG       SER  28  -2.614   9.967  -1.474
  203    H    ASN  29           H        ASN  29  -3.606  10.565   2.767
  204    HA   ASN  29           HA       ASN  29  -2.947  12.415   3.947
  205   1HB   ASN  29          2HB       ASN  29  -0.091  11.533   3.805
  206   2HB   ASN  29          1HB       ASN  29  -0.938  12.302   5.136
  207   1HD2  ASN  29          1HD2      ASN  29   0.111   9.402   3.753
  208   2HD2  ASN  29          2HD2      ASN  29  -0.565   8.312   4.920
  209    HA   PRO  30           HA       PRO  30  -1.543  13.715  -0.380
  210   1HB   PRO  30          2HB       PRO  30  -3.546  15.839   0.264
  211   2HB   PRO  30          1HB       PRO  30  -3.271  14.970  -1.254
  212   1HG   PRO  30          2HG       PRO  30  -5.317  14.271   0.238
  213   2HG   PRO  30          1HG       PRO  30  -4.271  13.009  -0.449
  214   1HD   PRO  30          2HD       PRO  30  -4.308  14.100   2.342
  215   2HD   PRO  30          1HD       PRO  30  -4.212  12.413   1.793
  216    H    THR  31           H        THR  31   0.459  14.400   0.023
  217    HA   THR  31           HA       THR  31   0.981  16.668   1.733
  218    HB   THR  31           HB       THR  31   3.271  16.152   1.506
  219    HG1  THR  31           1HG      THR  31   4.153  15.400  -0.299
  220   1HG2  THR  31          1HG2      THR  31   1.979  14.340   2.620
  221   2HG2  THR  31          2HG2      THR  31   3.452  13.758   1.847
  222   3HG2  THR  31          3HG2      THR  31   1.887  13.492   1.069
  223    H    THR  32           H        THR  32   0.912  15.905  -1.670
  224    HA   THR  32           HA       THR  32   0.443  18.465  -2.620
  225    HB   THR  32           HB       THR  32   2.690  19.051  -1.877
  226    HG1  THR  32           1HG      THR  32   3.509  19.803  -3.849
  227   1HG2  THR  32          1HG2      THR  32   3.704  16.838  -1.835
  228   2HG2  THR  32          2HG2      THR  32   4.691  17.959  -2.773
  229   3HG2  THR  32          3HG2      THR  32   3.674  16.776  -3.598
  230    H    GLY  33           H        GLY  33   2.253  17.922  -5.052
  231   1HA   GLY  33          2HA       GLY  33   0.441  16.418  -6.594
  232   2HA   GLY  33          1HA       GLY  33   2.081  16.814  -7.062
  233    H    PHE  34           H        PHE  34   2.718  15.325  -4.387
  234    HA   PHE  34           HA       PHE  34   3.439  12.839  -5.548
  235   1HB   PHE  34          2HB       PHE  34   3.466  13.860  -2.706
  236   2HB   PHE  34          1HB       PHE  34   4.117  12.298  -3.186
  237    HD1  PHE  34           1HD      PHE  34   6.386  12.443  -2.875
  238    HD2  PHE  34           2HD      PHE  34   4.371  15.611  -4.861
  239    HE1  PHE  34           1HE      PHE  34   8.544  13.489  -3.400
  240    HE2  PHE  34           2HE      PHE  34   6.509  16.662  -5.389
  241    HZ   PHE  34           HZ       PHE  34   8.609  15.600  -4.659
  242    H    ALA  35           H        ALA  35   2.718  10.762  -5.013
  243    HA   ALA  35           HA       ALA  35   0.376  10.410  -3.327
  244   1HB   ALA  35          1HB       ALA  35  -0.574  10.937  -5.548
  245   2HB   ALA  35          2HB       ALA  35  -0.920   9.276  -5.066
  246   3HB   ALA  35          3HB       ALA  35   0.348   9.605  -6.249
  247    H    TRP  36           H        TRP  36  -0.093   8.008  -3.045
  248    HA   TRP  36           HA       TRP  36   2.453   6.683  -2.704
  249   1HB   TRP  36          2HB       TRP  36  -0.329   5.691  -2.016
  250   2HB   TRP  36          1HB       TRP  36   1.175   4.845  -1.659
  251    HD1  TRP  36           HD       TRP  36  -1.043   7.636  -0.378
  252    HE1  TRP  36           1HE      TRP  36  -0.158   8.391   1.906
  253    HE3  TRP  36           3HE      TRP  36   3.395   5.125  -0.369
  254    HZ2  TRP  36           2HZ      TRP  36   2.106   7.959   3.524
  255    HZ3  TRP  36           3HZ      TRP  36   4.873   5.345   1.580
  256    HH2  TRP  36           HH       TRP  36   4.245   6.742   3.487
  257    H    TYR  37           H        TYR  37   3.372   5.622  -4.264
  258    HA   TYR  37           HA       TYR  37   1.750   3.646  -5.724
  259   1HB   TYR  37          2HB       TYR  37   4.104   5.268  -6.692
  260   2HB   TYR  37          1HB       TYR  37   3.603   3.775  -7.481
  261    HD1  TYR  37           1HD      TYR  37   2.881   7.269  -6.925
  262    HD2  TYR  37           2HD      TYR  37   1.428   3.657  -8.631
  263    HE1  TYR  37           1HE      TYR  37   1.242   8.556  -8.256
  264    HE2  TYR  37           2HE      TYR  37  -0.210   4.921  -9.960
  265    HH   TYR  37           HH       TYR  37  -0.042   8.173 -10.481
  266    H    PHE  38           H        PHE  38   3.453   1.816  -6.509
  267    HA   PHE  38           HA       PHE  38   4.914   0.931  -4.236
  268   1HB   PHE  38          2HB       PHE  38   4.384  -0.040  -6.928
  269   2HB   PHE  38          1HB       PHE  38   6.024  -0.360  -6.392
  270    HD1  PHE  38           1HD      PHE  38   2.623  -1.414  -6.273
  271    HD2  PHE  38           2HD      PHE  38   6.304  -1.552  -4.133
  272    HE1  PHE  38           1HE      PHE  38   1.815  -3.364  -5.006
  273    HE2  PHE  38           2HE      PHE  38   5.500  -3.501  -2.868
  274    HZ   PHE  38           HZ       PHE  38   3.253  -4.418  -3.301
  275    H    GLU  39           H        GLU  39   6.383   1.329  -7.432
  276    HA   GLU  39           HA       GLU  39   8.614   2.753  -6.157
  277   1HB   GLU  39          2HB       GLU  39   8.469   1.376  -8.847
  278   2HB   GLU  39          1HB       GLU  39   9.894   2.166  -8.184
  279   1HG   GLU  39          2HG       GLU  39   8.505  -0.249  -7.048
  280   2HG   GLU  39          1HG       GLU  39  10.039  -0.233  -7.917
  281    H    GLY  40           H        GLY  40   5.837   3.431  -7.668
  282   1HA   GLY  40          2HA       GLY  40   5.239   5.676  -8.242
  283   2HA   GLY  40          1HA       GLY  40   6.897   5.941  -8.773
  284    H    GLY  41           H        GLY  41   3.748   5.151  -9.718
  285   1HA   GLY  41          2HA       GLY  41   2.871   4.872 -11.843
  286   2HA   GLY  41          1HA       GLY  41   4.503   4.973 -12.491
  287    H    THR  42           H        THR  42   4.685   2.760 -10.126
  288    HA   THR  42           HA       THR  42   3.891   0.506 -11.834
  289    HB   THR  42           HB       THR  42   5.873  -0.630 -10.523
  290    HG1  THR  42           1HG      THR  42   7.524   1.377 -10.856
  291   1HG2  THR  42          1HG2      THR  42   7.331  -0.206 -12.468
  292   2HG2  THR  42          2HG2      THR  42   6.253   1.092 -12.980
  293   3HG2  THR  42          3HG2      THR  42   5.673  -0.573 -12.946
  294    H    LYS  43           H        LYS  43   2.871  -1.118 -10.849
  295    HA   LYS  43           HA       LYS  43   3.382  -1.584  -8.036
  296   1HB   LYS  43          2HB       LYS  43   0.780  -2.181  -8.026
  297   2HB   LYS  43          1HB       LYS  43   1.407  -0.635  -7.497
  298   1HG   LYS  43          2HG       LYS  43  -0.409  -0.132  -8.875
  299   2HG   LYS  43          1HG       LYS  43   1.015   0.167  -9.868
  300   1HD   LYS  43          2HD       LYS  43   0.630  -2.313 -10.627
  301   2HD   LYS  43          1HD       LYS  43  -1.015  -2.014 -10.062
  302   1HE   LYS  43          2HE       LYS  43   0.492  -0.422 -12.134
  303   2HE   LYS  43          1HE       LYS  43  -0.836  -1.540 -12.436
  304   1HZ   LYS  43          1HZ       LYS  43  -2.362  -0.105 -11.443
  305   2HZ   LYS  43          2HZ       LYS  43  -1.373   0.922 -12.362
  306   3HZ   LYS  43          3HZ       LYS  43  -1.162   0.818 -10.688
  307    H    GLU  44           H        GLU  44   3.812  -3.681  -7.697
  308    HA   GLU  44           HA       GLU  44   2.548  -5.651  -9.470
  309   1HB   GLU  44          2HB       GLU  44   4.625  -6.912  -9.654
  310   2HB   GLU  44          1HB       GLU  44   4.829  -5.291 -10.295
  311   1HG   GLU  44          2HG       GLU  44   5.660  -6.041  -7.509
  312   2HG   GLU  44          1HG       GLU  44   6.723  -6.228  -8.902
  313    H    SER  45           H        SER  45   2.281  -7.735  -8.594
  314    HA   SER  45           HA       SER  45   2.498  -7.863  -5.651
  315   1HB   SER  45          2HB       SER  45   0.239  -8.244  -6.729
  316   2HB   SER  45          1HB       SER  45   0.908  -9.681  -7.498
  317    HG   SER  45           HG       SER  45   0.807 -10.720  -5.662
  318    HA   PRO  46           HA       PRO  46   5.812 -10.665  -6.483
  319   1HB   PRO  46          2HB       PRO  46   6.569 -10.658  -3.796
  320   2HB   PRO  46          1HB       PRO  46   7.024  -9.446  -4.995
  321   1HG   PRO  46          2HG       PRO  46   5.383  -9.039  -2.732
  322   2HG   PRO  46          1HG       PRO  46   5.625  -7.912  -4.078
  323   1HD   PRO  46          2HD       PRO  46   3.424  -9.887  -3.628
  324   2HD   PRO  46          1HD       PRO  46   3.338  -8.262  -4.338
  325    H    ASN  47           H        ASN  47   6.616 -12.719  -5.896
  326    HA   ASN  47           HA       ASN  47   6.631 -14.865  -5.170
  327   1HB   ASN  47          2HB       ASN  47   4.395 -14.186  -3.250
  328   2HB   ASN  47          1HB       ASN  47   5.482 -15.562  -3.175
  329   1HD2  ASN  47          1HD2      ASN  47   4.987 -13.795  -1.081
  330   2HD2  ASN  47          2HD2      ASN  47   6.457 -12.952  -0.715
  331    H    GLU  48           H        GLU  48   4.451 -13.555  -7.033
  332    HA   GLU  48           HA       GLU  48   2.933 -15.962  -7.520
  333   1HB   GLU  48          2HB       GLU  48   1.871 -14.729  -5.543
  334   2HB   GLU  48          1HB       GLU  48   1.380 -13.524  -6.729
  335   1HG   GLU  48          2HG       GLU  48  -0.404 -15.103  -6.317
  336   2HG   GLU  48          1HG       GLU  48   0.182 -15.254  -7.974
  337    H    SER  49           H        SER  49   2.382 -16.150  -9.515
  338    HA   SER  49           HA       SER  49   2.066 -13.743 -11.165
  339   1HB   SER  49          2HB       SER  49   3.079 -15.092 -13.050
  340   2HB   SER  49          1HB       SER  49   4.210 -14.657 -11.767
  341    HG   SER  49           HG       SER  49   2.920 -17.161 -12.168
  342    H    MET  50           H        MET  50   0.138 -15.368  -9.741
  343    HA   MET  50           HA       MET  50  -1.477 -16.204 -11.993
  344   1HB   MET  50          2HB       MET  50  -2.242 -18.250 -11.003
  345   2HB   MET  50          1HB       MET  50  -0.499 -18.280 -11.152
  346   1HG   MET  50          2HG       MET  50  -0.213 -17.940  -8.817
  347   2HG   MET  50          1HG       MET  50  -1.924 -17.583  -8.592
  348   1HE   MET  50          1HE       MET  50  -1.763 -20.877  -6.653
  349   2HE   MET  50          2HE       MET  50  -2.227 -19.172  -6.666
  350   3HE   MET  50          3HE       MET  50  -0.522 -19.623  -6.683
  351    H    PHE  51           H        PHE  51  -1.244 -15.707  -8.559
  352    HA   PHE  51           HA       PHE  51  -3.754 -14.212  -8.599
  353   1HB   PHE  51          2HB       PHE  51  -2.075 -15.443  -6.446
  354   2HB   PHE  51          1HB       PHE  51  -3.058 -14.026  -6.073
  355    HD1  PHE  51           1HD      PHE  51  -3.508 -17.226  -7.952
  356    HD2  PHE  51           2HD      PHE  51  -5.065 -14.509  -5.064
  357    HE1  PHE  51           1HE      PHE  51  -5.461 -18.688  -7.629
  358    HE2  PHE  51           2HE      PHE  51  -7.018 -15.969  -4.740
  359    HZ   PHE  51           HZ       PHE  51  -7.250 -18.019  -6.015
  360    H    THR  52           H        THR  52  -3.593 -11.963  -7.648
  361    HA   THR  52           HA       THR  52  -1.068 -10.706  -8.088
  362    HB   THR  52           HB       THR  52  -2.887  -9.955 -10.262
  363    HG1  THR  52           1HG      THR  52  -3.112 -12.181 -10.462
  364   1HG2  THR  52          1HG2      THR  52  -0.663  -8.967  -9.972
  365   2HG2  THR  52          2HG2      THR  52  -0.774  -9.841 -11.501
  366   3HG2  THR  52          3HG2      THR  52   0.058 -10.572 -10.124
  367    H    VAL  53           H        VAL  53  -1.500  -8.227  -8.598
  368    HA   VAL  53           HA       VAL  53  -3.202  -7.462  -6.334
  369    HB   VAL  53           HB       VAL  53  -0.856  -6.940  -6.061
  370   1HG1  VAL  53          1HG1      VAL  53  -1.081  -5.366  -8.623
  371   2HG1  VAL  53          2HG1      VAL  53  -0.210  -6.884  -8.410
  372   3HG1  VAL  53          3HG1      VAL  53   0.336  -5.430  -7.571
  373   1HG2  VAL  53          1HG2      VAL  53  -0.949  -4.514  -5.698
  374   2HG2  VAL  53          2HG2      VAL  53  -2.415  -5.316  -5.132
  375   3HG2  VAL  53          3HG2      VAL  53  -2.426  -4.434  -6.659
  376    H    GLU  54           H        GLU  54  -4.774  -5.988  -6.481
  377    HA   GLU  54           HA       GLU  54  -5.189  -4.525  -9.012
  378   1HB   GLU  54          2HB       GLU  54  -7.512  -4.269  -8.341
  379   2HB   GLU  54          1HB       GLU  54  -7.085  -5.975  -8.271
  380   1HG   GLU  54          2HG       GLU  54  -6.911  -5.915  -5.901
  381   2HG   GLU  54          1HG       GLU  54  -7.052  -4.160  -5.879
  382    H    ASN  55           H        ASN  55  -5.737  -2.285  -8.826
  383    HA   ASN  55           HA       ASN  55  -4.794  -1.085  -6.303
  384   1HB   ASN  55          2HB       ASN  55  -3.476   0.526  -7.498
  385   2HB   ASN  55          1HB       ASN  55  -3.030  -1.072  -8.084
  386   1HD2  ASN  55          1HD2      ASN  55  -3.785  -1.738 -10.163
  387   2HD2  ASN  55          2HD2      ASN  55  -4.234  -0.550 -11.351
  388    H    LYS  56           H        LYS  56  -5.892   0.676  -5.569
  389    HA   LYS  56           HA       LYS  56  -7.450   2.237  -7.423
  390   1HB   LYS  56          2HB       LYS  56  -9.587   1.987  -6.492
  391   2HB   LYS  56          1HB       LYS  56  -8.966   0.356  -6.631
  392   1HG   LYS  56          2HG       LYS  56  -8.691   1.765  -4.025
  393   2HG   LYS  56          1HG       LYS  56 -10.264   1.135  -4.507
  394   1HD   LYS  56          2HD       LYS  56  -8.630  -0.981  -5.039
  395   2HD   LYS  56          1HD       LYS  56  -7.853  -0.256  -3.626
  396   1HE   LYS  56          2HE       LYS  56  -9.500  -1.952  -3.009
  397   2HE   LYS  56          1HE       LYS  56  -9.871  -0.352  -2.381
  398   1HZ   LYS  56          1HZ       LYS  56 -11.524  -0.059  -4.082
  399   2HZ   LYS  56          2HZ       LYS  56 -11.818  -1.524  -3.282
  400   3HZ   LYS  56          3HZ       LYS  56 -11.097  -1.529  -4.817
  401    H    TYR  57           H        TYR  57  -6.887   4.226  -7.034
  402    HA   TYR  57           HA       TYR  57  -6.168   4.990  -4.292
  403   1HB   TYR  57          2HB       TYR  57  -5.366   6.529  -6.705
  404   2HB   TYR  57          1HB       TYR  57  -4.605   6.499  -5.125
  405    HD1  TYR  57           1HD      TYR  57  -4.383   5.347  -8.444
  406    HD2  TYR  57           2HD      TYR  57  -3.576   4.157  -4.436
  407    HE1  TYR  57           1HE      TYR  57  -2.769   3.682  -9.265
  408    HE2  TYR  57           2HE      TYR  57  -1.967   2.497  -5.250
  409    HH   TYR  57           HH       TYR  57  -1.417   1.269  -7.203
  410    H    PHE  58           H        PHE  58  -7.882   5.912  -3.367
  411    HA   PHE  58           HA       PHE  58  -9.447   7.832  -4.957
  412   1HB   PHE  58          2HB       PHE  58 -10.275   5.972  -2.731
  413   2HB   PHE  58          1HB       PHE  58 -11.270   7.338  -3.241
  414    HD1  PHE  58           1HD      PHE  58 -10.129   3.995  -4.045
  415    HD2  PHE  58           2HD      PHE  58 -12.232   7.394  -5.502
  416    HE1  PHE  58           1HE      PHE  58 -11.104   2.621  -5.839
  417    HE2  PHE  58           2HE      PHE  58 -13.210   6.026  -7.298
  418    HZ   PHE  58           HZ       PHE  58 -12.647   3.635  -7.468
  419    HA   PRO  59           HA       PRO  59  -7.644  10.754  -1.977
  420   1HB   PRO  59          2HB       PRO  59  -9.018  12.542  -3.927
  421   2HB   PRO  59          1HB       PRO  59  -7.375  12.634  -3.280
  422   1HG   PRO  59          2HG       PRO  59  -7.735  11.811  -5.759
  423   2HG   PRO  59          1HG       PRO  59  -6.586  10.953  -4.704
  424   1HD   PRO  59          2HD       PRO  59  -9.416  10.206  -5.408
  425   2HD   PRO  59          1HD       PRO  59  -7.954   9.192  -5.418
  426    HA   PRO  60           HA       PRO  60 -10.997  11.735   0.599
  427   1HB   PRO  60          2HB       PRO  60 -10.520  14.642   0.500
  428   2HB   PRO  60          1HB       PRO  60 -10.464  13.532   1.872
  429   1HG   PRO  60          2HG       PRO  60  -8.217  14.520   0.836
  430   2HG   PRO  60          1HG       PRO  60  -8.309  12.854   1.423
  431   1HD   PRO  60          2HD       PRO  60  -8.402  13.880  -1.390
  432   2HD   PRO  60          1HD       PRO  60  -7.552  12.465  -0.732
  433    H    ASP  61           H        ASP  61 -12.497  13.907   1.029
  434    HA   ASP  61           HA       ASP  61 -14.120  14.968  -0.890
  435   1HB   ASP  61          2HB       ASP  61 -14.356  12.501  -1.592
  436   2HB   ASP  61          1HB       ASP  61 -15.178  12.245  -0.058
  437    H    SER  62           H        SER  62 -16.575  13.832   0.584
  438    HA   SER  62           HA       SER  62 -16.014  15.016   3.207
  439   1HB   SER  62          2HB       SER  62 -18.610  14.927   3.353
  440   2HB   SER  62          1HB       SER  62 -17.865  16.148   2.319
  441    HG   SER  62           HG       SER  62 -18.439  15.051   0.551
  442    H    LYS  63           H        LYS  63 -17.997  12.389   1.836
  443    HA   LYS  63           HA       LYS  63 -17.717  10.917   4.332
  444   1HB   LYS  63          2HB       LYS  63 -19.374   9.352   3.292
  445   2HB   LYS  63          1HB       LYS  63 -19.946  10.999   3.495
  446   1HG   LYS  63          2HG       LYS  63 -20.711  10.308   1.384
  447   2HG   LYS  63          1HG       LYS  63 -19.345  11.372   1.065
  448   1HD   LYS  63          2HD       LYS  63 -19.217   9.444  -0.386
  449   2HD   LYS  63          1HD       LYS  63 -17.895   9.384   0.792
  450   1HE   LYS  63          2HE       LYS  63 -18.979   7.190   0.447
  451   2HE   LYS  63          1HE       LYS  63 -19.093   7.758   2.111
  452   1HZ   LYS  63          1HZ       LYS  63 -21.262   8.029   0.097
  453   2HZ   LYS  63          2HZ       LYS  63 -21.358   8.396   1.749
  454   3HZ   LYS  63          3HZ       LYS  63 -21.172   6.786   1.250
  455    H    LEU  64           H        LEU  64 -16.299  10.988   1.232
  456    HA   LEU  64           HA       LEU  64 -15.670   8.274   0.841
  457   1HB   LEU  64          2HB       LEU  64 -15.404  10.340  -0.732
  458   2HB   LEU  64          1HB       LEU  64 -13.834  10.510   0.028
  459    HG   LEU  64           HG       LEU  64 -13.771   9.344  -2.165
  460   1HD1  LEU  64          1HD1      LEU  64 -12.343   7.485  -1.474
  461   2HD1  LEU  64          2HD1      LEU  64 -12.926   7.658   0.183
  462   3HD1  LEU  64          3HD1      LEU  64 -11.992   8.954  -0.563
  463   1HD2  LEU  64          1HD2      LEU  64 -15.290   7.181  -0.718
  464   2HD2  LEU  64          2HD2      LEU  64 -14.596   7.056  -2.333
  465   3HD2  LEU  64          3HD2      LEU  64 -15.909   8.191  -2.024
  466    H    LEU  65           H        LEU  65 -13.759  10.908   2.233
  467    HA   LEU  65           HA       LEU  65 -12.852   9.215   4.325
  468   1HB   LEU  65          2HB       LEU  65 -11.316   8.844   2.232
  469   2HB   LEU  65          1HB       LEU  65 -10.644  10.396   2.680
  470    HG   LEU  65           HG       LEU  65  -9.265   8.561   3.504
  471   1HD1  LEU  65          1HD1      LEU  65 -10.667   9.989   5.756
  472   2HD1  LEU  65          2HD1      LEU  65  -9.316  10.616   4.810
  473   3HD1  LEU  65          3HD1      LEU  65  -9.091   9.204   5.842
  474   1HD2  LEU  65          1HD2      LEU  65 -10.063   7.015   5.190
  475   2HD2  LEU  65          2HD2      LEU  65 -11.034   6.880   3.724
  476   3HD2  LEU  65          3HD2      LEU  65 -11.669   7.739   5.128
  477    H    GLY  66           H        GLY  66 -11.845  12.099   2.607
  478   1HA   GLY  66          2HA       GLY  66 -12.254  14.323   3.186
  479   2HA   GLY  66          1HA       GLY  66 -12.857  13.776   4.741
  480    H    ALA  67           H        ALA  67 -10.992  12.594   6.018
  481    HA   ALA  67           HA       ALA  67  -9.271  14.602   6.892
  482   1HB   ALA  67          1HB       ALA  67  -9.984  12.694   8.258
  483   2HB   ALA  67          2HB       ALA  67  -8.232  12.889   8.265
  484   3HB   ALA  67          3HB       ALA  67  -8.976  11.628   7.280
  485    H    GLY  68           H        GLY  68  -8.429  11.663   5.052
  486   1HA   GLY  68          2HA       GLY  68  -6.068  13.099   4.051
  487   2HA   GLY  68          1HA       GLY  68  -5.898  11.488   4.726
  488    H    GLY  69           H        GLY  69  -7.865  10.039   3.649
  489   1HA   GLY  69          2HA       GLY  69  -8.906   9.998   1.296
  490   2HA   GLY  69          1HA       GLY  69  -7.236  10.211   0.781
  491    H    THR  70           H        THR  70  -7.644   8.108  -0.347
  492    HA   THR  70           HA       THR  70  -6.891   5.882   1.312
  493    HB   THR  70           HB       THR  70  -8.977   4.644   0.126
  494    HG1  THR  70           1HG      THR  70  -9.566   7.148  -0.223
  495   1HG2  THR  70          1HG2      THR  70  -9.044   6.052   2.800
  496   2HG2  THR  70          2HG2      THR  70  -8.290   4.491   2.480
  497   3HG2  THR  70          3HG2      THR  70 -10.039   4.673   2.326
  498    H    GLU  71           H        GLU  71  -5.123   5.700  -0.019
  499    HA   GLU  71           HA       GLU  71  -5.627   4.829  -2.786
  500   1HB   GLU  71          2HB       GLU  71  -3.008   5.581  -1.457
  501   2HB   GLU  71          1HB       GLU  71  -3.227   5.179  -3.155
  502   1HG   GLU  71          2HG       GLU  71  -4.742   7.142  -3.356
  503   2HG   GLU  71          1HG       GLU  71  -4.311   7.577  -1.702
  504    H    HIS  72           H        HIS  72  -5.850   2.672  -2.957
  505    HA   HIS  72           HA       HIS  72  -4.644   1.024  -0.824
  506   1HB   HIS  72          2HB       HIS  72  -6.912   0.238  -2.612
  507   2HB   HIS  72          1HB       HIS  72  -6.341  -0.607  -1.198
  508    HD1  HIS  72           1HD      HIS  72  -8.197  -0.551   0.385
  509    HD2  HIS  72           2HD      HIS  72  -7.619   3.144  -1.418
  510    HE1  HIS  72           1HE      HIS  72 -10.033   0.906   1.230
  511    HE2  HIS  72           2HE      HIS  72  -9.809   3.060  -0.039
  512    H    PHE  73           H        PHE  73  -3.528  -0.731  -1.264
  513    HA   PHE  73           HA       PHE  73  -3.205  -1.618  -4.052
  514   1HB   PHE  73          2HB       PHE  73  -1.285  -1.544  -1.724
  515   2HB   PHE  73          1HB       PHE  73  -0.987  -2.550  -3.135
  516    HD1  PHE  73           1HD      PHE  73   0.143  -1.647  -4.949
  517    HD2  PHE  73           2HD      PHE  73  -1.729   0.963  -2.157
  518    HE1  PHE  73           1HE      PHE  73   1.162   0.286  -6.083
  519    HE2  PHE  73           2HE      PHE  73  -0.701   2.901  -3.276
  520    HZ   PHE  73           HZ       PHE  73   0.742   2.563  -5.244
  521    H    HIS  74           H        HIS  74  -4.524  -3.361  -4.226
  522    HA   HIS  74           HA       HIS  74  -4.806  -5.123  -1.875
  523   1HB   HIS  74          2HB       HIS  74  -6.577  -4.613  -4.265
  524   2HB   HIS  74          1HB       HIS  74  -6.804  -6.008  -3.226
  525    HD1  HIS  74           1HD      HIS  74  -9.176  -5.078  -2.715
  526    HD2  HIS  74           2HD      HIS  74  -6.048  -2.673  -1.381
  527    HE1  HIS  74           1HE      HIS  74 -10.204  -3.437  -1.122
  528    HE2  HIS  74           2HE      HIS  74  -8.216  -2.356  -0.020
  529    H    VAL  75           H        VAL  75  -3.386  -6.777  -1.999
  530    HA   VAL  75           HA       VAL  75  -2.977  -7.931  -4.659
  531    HB   VAL  75           HB       VAL  75  -0.933  -8.900  -3.935
  532   1HG1  VAL  75          1HG1      VAL  75   0.373  -7.005  -3.078
  533   2HG1  VAL  75          2HG1      VAL  75  -1.130  -6.156  -2.712
  534   3HG1  VAL  75          3HG1      VAL  75  -0.721  -6.544  -4.382
  535   1HG2  VAL  75          1HG2      VAL  75  -1.592  -9.786  -1.802
  536   2HG2  VAL  75          2HG2      VAL  75  -1.701  -8.159  -1.122
  537   3HG2  VAL  75          3HG2      VAL  75  -0.129  -8.815  -1.599
  538    H    THR  76           H        THR  76  -4.103  -9.630  -5.120
  539    HA   THR  76           HA       THR  76  -5.206 -11.253  -2.937
  540    HB   THR  76           HB       THR  76  -5.940 -11.463  -5.870
  541    HG1  THR  76           1HG      THR  76  -6.447  -9.402  -4.172
  542   1HG2  THR  76          1HG2      THR  76  -6.672 -13.287  -4.416
  543   2HG2  THR  76          2HG2      THR  76  -8.053 -12.340  -4.968
  544   3HG2  THR  76          3HG2      THR  76  -7.438 -12.127  -3.330
  545    H    VAL  77           H        VAL  77  -3.787 -12.796  -2.447
  546    HA   VAL  77           HA       VAL  77  -2.566 -14.432  -4.523
  547    HB   VAL  77           HB       VAL  77  -0.973 -12.625  -4.414
  548   1HG1  VAL  77          1HG1      VAL  77   0.085 -11.907  -2.329
  549   2HG1  VAL  77          2HG1      VAL  77  -0.947 -13.012  -1.423
  550   3HG1  VAL  77          3HG1      VAL  77  -1.659 -11.649  -2.285
  551   1HG2  VAL  77          1HG2      VAL  77   0.005 -14.856  -4.524
  552   2HG2  VAL  77          2HG2      VAL  77   0.042 -14.938  -2.762
  553   3HG2  VAL  77          3HG2      VAL  77   1.044 -13.760  -3.613
  554    H    LYS  78           H        LYS  78  -1.928 -16.439  -3.789
  555    HA   LYS  78           HA       LYS  78  -1.739 -16.830  -0.907
  556   1HB   LYS  78          2HB       LYS  78  -2.777 -19.242  -1.626
  557   2HB   LYS  78          1HB       LYS  78  -3.687 -17.936  -0.891
  558   1HG   LYS  78          2HG       LYS  78  -5.005 -18.639  -2.676
  559   2HG   LYS  78          1HG       LYS  78  -4.213 -17.181  -3.267
  560   1HD   LYS  78          2HD       LYS  78  -4.262 -18.981  -4.943
  561   2HD   LYS  78          1HD       LYS  78  -2.617 -18.509  -4.517
  562   1HE   LYS  78          2HE       LYS  78  -2.794 -20.928  -4.667
  563   2HE   LYS  78          1HE       LYS  78  -2.473 -20.444  -3.003
  564   1HZ   LYS  78          1HZ       LYS  78  -5.153 -21.137  -4.085
  565   2HZ   LYS  78          2HZ       LYS  78  -4.787 -20.773  -2.470
  566   3HZ   LYS  78          3HZ       LYS  78  -4.171 -22.181  -3.181
  567    H    ALA  79           H        ALA  79   0.356 -17.174  -0.737
  568    HA   ALA  79           HA       ALA  79   1.567 -19.477  -1.899
  569   1HB   ALA  79          1HB       ALA  79   2.563 -16.777  -2.810
  570   2HB   ALA  79          2HB       ALA  79   1.710 -17.947  -3.817
  571   3HB   ALA  79          3HB       ALA  79   3.307 -18.334  -3.174
  572    H    ALA  80           H        ALA  80   3.302 -20.119  -0.719
  573    HA   ALA  80           HA       ALA  80   3.642 -18.891   1.825
  574   1HB   ALA  80          1HB       ALA  80   5.220 -20.708   2.259
  575   2HB   ALA  80          2HB       ALA  80   5.164 -21.161   0.556
  576   3HB   ALA  80          3HB       ALA  80   3.718 -21.306   1.554
  577    H    GLY  81           H        GLY  81   4.351 -16.798   1.089
  578   1HA   GLY  81          2HA       GLY  81   7.270 -16.654   1.034
  579   2HA   GLY  81          1HA       GLY  81   6.408 -15.897  -0.303
  580    H    THR  82           H        THR  82   7.986 -14.337   1.307
  581    HA   THR  82           HA       THR  82   6.086 -13.118   3.183
  582    HB   THR  82           HB       THR  82   8.936 -12.204   2.904
  583    HG1  THR  82           1HG      THR  82   9.647 -13.897   4.112
  584   1HG2  THR  82          1HG2      THR  82   7.443 -10.946   4.355
  585   2HG2  THR  82          2HG2      THR  82   8.630 -11.812   5.332
  586   3HG2  THR  82          3HG2      THR  82   6.978 -12.425   5.197
  587    H    HIS  83           H        HIS  83   5.268 -11.140   2.849
  588    HA   HIS  83           HA       HIS  83   5.753  -9.969   0.197
  589   1HB   HIS  83          2HB       HIS  83   3.396 -10.809   0.987
  590   2HB   HIS  83          1HB       HIS  83   3.399  -9.366   1.986
  591    HD1  HIS  83           1HD      HIS  83   4.325  -7.175   0.244
  592    HD2  HIS  83           2HD      HIS  83   1.861 -10.212  -1.172
  593    HE1  HIS  83           1HE      HIS  83   3.134  -6.190  -1.740
  594    HE2  HIS  83           2HE      HIS  83   1.573  -8.019  -2.523
  595    H    ALA  84           H        ALA  84   7.287  -8.441   0.446
  596    HA   ALA  84           HA       ALA  84   7.101  -6.632   2.758
  597   1HB   ALA  84          1HB       ALA  84   9.394  -5.969   2.191
  598   2HB   ALA  84          2HB       ALA  84   9.364  -7.049   0.798
  599   3HB   ALA  84          3HB       ALA  84   9.276  -7.713   2.428
  600    H    VAL  85           H        VAL  85   5.970  -4.847   2.374
  601    HA   VAL  85           HA       VAL  85   5.662  -4.043  -0.443
  602    HB   VAL  85           HB       VAL  85   3.862  -3.016   1.687
  603   1HG1  VAL  85          1HG1      VAL  85   2.238  -3.067  -0.128
  604   2HG1  VAL  85          2HG1      VAL  85   3.449  -3.803  -1.181
  605   3HG1  VAL  85          3HG1      VAL  85   3.692  -2.166  -0.569
  606   1HG2  VAL  85          1HG2      VAL  85   3.989  -5.409   2.161
  607   2HG2  VAL  85          2HG2      VAL  85   3.595  -5.761   0.477
  608   3HG2  VAL  85          3HG2      VAL  85   2.410  -4.962   1.511
  609    H    ASN  86           H        ASN  86   7.063  -2.510  -0.904
  610    HA   ASN  86           HA       ASN  86   7.313  -0.216   0.938
  611   1HB   ASN  86          2HB       ASN  86   9.139  -1.222  -1.261
  612   2HB   ASN  86          1HB       ASN  86   9.372   0.305  -0.415
  613   1HD2  ASN  86          1HD2      ASN  86   8.885  -3.131   0.246
  614   2HD2  ASN  86          2HD2      ASN  86  10.037  -3.227   1.539
  615    H    LEU  87           H        LEU  87   5.824   1.184   0.398
  616    HA   LEU  87           HA       LEU  87   5.275   1.667  -2.444
  617   1HB   LEU  87          2HB       LEU  87   3.622   2.272   0.013
  618   2HB   LEU  87          1HB       LEU  87   3.171   2.706  -1.627
  619    HG   LEU  87           HG       LEU  87   3.602  -0.149  -0.728
  620   1HD1  LEU  87          1HD1      LEU  87   1.023   1.380  -1.040
  621   2HD1  LEU  87          2HD1      LEU  87   1.734   0.872   0.491
  622   3HD1  LEU  87          3HD1      LEU  87   1.180  -0.337  -0.669
  623   1HD2  LEU  87          1HD2      LEU  87   3.881   0.235  -3.104
  624   2HD2  LEU  87          2HD2      LEU  87   2.312   1.042  -3.170
  625   3HD2  LEU  87          3HD2      LEU  87   2.407  -0.676  -2.776
  626    H    THR  88           H        THR  88   5.899   3.523  -3.310
  627    HA   THR  88           HA       THR  88   7.200   5.453  -1.531
  628    HB   THR  88           HB       THR  88   7.575   5.236  -4.516
  629    HG1  THR  88           1HG      THR  88   8.157   3.231  -3.822
  630   1HG2  THR  88          1HG2      THR  88   9.365   6.247  -2.295
  631   2HG2  THR  88          2HG2      THR  88   8.442   7.257  -3.407
  632   3HG2  THR  88          3HG2      THR  88   9.750   6.243  -4.016
  633    H    TYR  89           H        TYR  89   6.261   7.300  -1.197
  634    HA   TYR  89           HA       TYR  89   4.001   8.175  -2.803
  635   1HB   TYR  89          2HB       TYR  89   3.980   8.131  -0.281
  636   2HB   TYR  89          1HB       TYR  89   5.197   9.399  -0.298
  637    HD1  TYR  89           1HD      TYR  89   1.683   8.600  -0.893
  638    HD2  TYR  89           2HD      TYR  89   4.604  11.675  -0.870
  639    HE1  TYR  89           1HE      TYR  89  -0.105  10.282  -0.962
  640    HE2  TYR  89           2HE      TYR  89   2.825  13.365  -0.939
  641    HH   TYR  89           HH       TYR  89   0.201  13.202  -1.934
  642    H    MET  90           H        MET  90   4.738   9.091  -4.682
  643    HA   MET  90           HA       MET  90   6.546  11.417  -4.430
  644   1HB   MET  90          2HB       MET  90   6.746   9.575  -6.788
  645   2HB   MET  90          1HB       MET  90   7.880  10.802  -6.256
  646   1HG   MET  90          2HG       MET  90   8.641   9.437  -4.476
  647   2HG   MET  90          1HG       MET  90   7.350   8.262  -4.759
  648   1HE   MET  90          1HE       MET  90   8.375   7.208  -8.494
  649   2HE   MET  90          2HE       MET  90   7.432   8.632  -8.045
  650   3HE   MET  90          3HE       MET  90   7.106   7.076  -7.278
  651    H    ARG  91           H        ARG  91   6.388  12.903  -6.262
  652    HA   ARG  91           HA       ARG  91   3.842  13.137  -7.483
  653   1HB   ARG  91          2HB       ARG  91   6.091  14.760  -7.344
  654   2HB   ARG  91          1HB       ARG  91   6.067  14.252  -9.030
  655   1HG   ARG  91          2HG       ARG  91   3.857  15.110  -9.337
  656   2HG   ARG  91          1HG       ARG  91   3.721  15.489  -7.619
  657   1HD   ARG  91          2HD       ARG  91   5.544  17.104  -7.835
  658   2HD   ARG  91          1HD       ARG  91   5.677  16.721  -9.553
  659    HE   ARG  91           HE       ARG  91   3.033  17.515  -8.854
  660   1HH1  ARG  91          1HH1      ARG  91   6.232  18.773  -9.503
  661   2HH1  ARG  91          2HH1      ARG  91   5.648  20.310 -10.067
  662   1HH2  ARG  91          1HH2      ARG  91   2.258  19.493  -9.607
  663   2HH2  ARG  91          2HH2      ARG  91   3.376  20.717 -10.149
  664    HA   PRO  92           HA       PRO  92   4.179   9.362  -9.749
  665   1HB   PRO  92          2HB       PRO  92   2.342  10.223 -11.745
  666   2HB   PRO  92          1HB       PRO  92   2.009   9.222 -10.332
  667   1HG   PRO  92          2HG       PRO  92   1.654  12.149 -10.713
  668   2HG   PRO  92          1HG       PRO  92   0.723  11.019  -9.709
  669   1HD   PRO  92          2HD       PRO  92   2.419  12.752  -8.620
  670   2HD   PRO  92          1HD       PRO  92   2.285  11.097  -7.984
  671    H    TRP  93           H        TRP  93   4.489  12.432 -11.529
  672    HA   TRP  93           HA       TRP  93   5.720  10.947 -13.739
  673   1HB   TRP  93          2HB       TRP  93   5.410  13.035 -15.049
  674   2HB   TRP  93          1HB       TRP  93   3.903  12.369 -14.428
  675    HD1  TRP  93           HD       TRP  93   6.220  15.376 -14.076
  676    HE1  TRP  93           1HE      TRP  93   5.008  17.214 -12.741
  677    HE3  TRP  93           3HE      TRP  93   2.100  12.725 -12.637
  678    HZ2  TRP  93           2HZ      TRP  93   2.608  17.491 -11.280
  679    HZ3  TRP  93           3HZ      TRP  93   0.397  13.845 -11.272
  680    HH2  TRP  93           HH       TRP  93   0.643  16.183 -10.608
  681    H    THR  94           H        THR  94   6.911  12.203 -11.028
  682    HA   THR  94           HA       THR  94   9.506  12.488 -12.126
  683    HB   THR  94           HB       THR  94   8.671  14.684 -12.815
  684    HG1  THR  94           1HG      THR  94  10.407  15.445 -10.779
  685   1HG2  THR  94          1HG2      THR  94   7.006  15.107 -11.104
  686   2HG2  THR  94          2HG2      THR  94   8.177  16.425 -11.147
  687   3HG2  THR  94          3HG2      THR  94   8.264  15.210  -9.872
  688    H    GLY  95           H        GLY  95   7.632  13.659  -9.309
  689   1HA   GLY  95          2HA       GLY  95   7.920  13.341  -7.050
  690   2HA   GLY  95          1HA       GLY  95   8.660  11.808  -7.502
  691    HA   PRO  96           HA       PRO  96  11.977  15.748  -6.985
  692   1HB   PRO  96          2HB       PRO  96  10.151  16.058  -4.612
  693   2HB   PRO  96          1HB       PRO  96  11.309  17.215  -5.263
  694   1HG   PRO  96          2HG       PRO  96   8.748  17.367  -5.931
  695   2HG   PRO  96          1HG       PRO  96  10.013  17.676  -7.134
  696   1HD   PRO  96          2HD       PRO  96   8.142  15.419  -6.935
  697   2HD   PRO  96          1HD       PRO  96   9.129  15.943  -8.316
  698    H    SER  97           H        SER  97  13.656  14.553  -6.448
  699    HA   SER  97           HA       SER  97  13.483  12.265  -4.753
  700   1HB   SER  97          2HB       SER  97  15.914  13.604  -5.963
  701   2HB   SER  97          1HB       SER  97  15.864  11.984  -5.269
  702    HG   SER  97           HG       SER  97  14.198  11.530  -6.889
  703    H    HIS  98           H        HIS  98  12.665  13.667  -2.959
  704    HA   HIS  98           HA       HIS  98  14.435  13.773  -0.829
  705   1HB   HIS  98          2HB       HIS  98  15.460  15.686  -2.044
  706   2HB   HIS  98          1HB       HIS  98  13.911  16.520  -2.005
  707    HD1  HIS  98           1HD      HIS  98  16.711  15.407   0.264
  708    HD2  HIS  98           2HD      HIS  98  13.356  17.861   0.334
  709    HE1  HIS  98           1HE      HIS  98  16.880  16.729   2.395
  710    HE2  HIS  98           2HE      HIS  98  14.947  18.344   2.312
  711    H    ASP  99           H        ASP  99  11.564  14.935  -2.430
  712    HA   ASP  99           HA       ASP  99  10.212  15.521   0.073
  713   1HB   ASP  99          2HB       ASP  99  10.006  16.332  -2.676
  714   2HB   ASP  99          1HB       ASP  99   8.488  15.618  -2.170
  715    H    SER 100           H        SER 100  10.883  12.893  -1.791
  716    HA   SER 100           HA       SER 100   8.402  11.576  -1.981
  717   1HB   SER 100          2HB       SER 100  10.030   9.551  -2.298
  718   2HB   SER 100          1HB       SER 100   9.980  10.834  -3.508
  719    HG   SER 100           HG       SER 100  12.002  10.107  -1.798
  720    H    GLU 101           H        GLU 101   7.256  10.705  -0.472
  721    HA   GLU 101           HA       GLU 101   8.404   9.769   2.043
  722   1HB   GLU 101          2HB       GLU 101   6.330  11.060   2.133
  723   2HB   GLU 101          1HB       GLU 101   5.563   9.967   0.993
  724   1HG   GLU 101          2HG       GLU 101   4.716   9.494   3.155
  725   2HG   GLU 101          1HG       GLU 101   5.768   8.161   2.684
  726    H    ARG 102           H        ARG 102   7.749   7.464   2.738
  727    HA   ARG 102           HA       ARG 102   6.864   5.704   0.643
  728   1HB   ARG 102          2HB       ARG 102   9.379   6.035   0.267
  729   2HB   ARG 102          1HB       ARG 102   9.614   5.145   1.763
  730   1HG   ARG 102          2HG       ARG 102   8.528   3.194   0.813
  731   2HG   ARG 102          1HG       ARG 102   8.185   4.085  -0.672
  732   1HD   ARG 102          2HD       ARG 102  10.718   4.451  -0.808
  733   2HD   ARG 102          1HD       ARG 102  10.837   3.183   0.408
  734    HE   ARG 102           HE       ARG 102   9.349   2.567  -2.045
  735   1HH1  ARG 102          1HH1      ARG 102  12.285   2.205  -0.141
  736   2HH1  ARG 102          2HH1      ARG 102  12.911   0.916  -1.127
  737   1HH2  ARG 102          1HH2      ARG 102  10.193   0.879  -3.354
  738   2HH2  ARG 102          2HH2      ARG 102  11.722   0.161  -2.933
  739    H    PHE 103           H        PHE 103   5.976   3.946   1.365
  740    HA   PHE 103           HA       PHE 103   5.850   3.537   4.268
  741   1HB   PHE 103          2HB       PHE 103   3.659   3.830   3.658
  742   2HB   PHE 103          1HB       PHE 103   3.940   3.313   2.001
  743    HD1  PHE 103           1HD      PHE 103   2.954   2.322   5.331
  744    HD2  PHE 103           2HD      PHE 103   3.938   0.936   1.436
  745    HE1  PHE 103           1HE      PHE 103   1.949   0.146   5.851
  746    HE2  PHE 103           2HE      PHE 103   2.936  -1.243   1.950
  747    HZ   PHE 103           HZ       PHE 103   1.941  -1.636   4.160
  748    H    THR 104           H        THR 104   5.849   1.299   5.043
  749    HA   THR 104           HA       THR 104   6.684  -0.741   3.185
  750    HB   THR 104           HB       THR 104   8.564   0.146   5.386
  751    HG1  THR 104           1HG      THR 104   9.467  -0.007   2.771
  752   1HG2  THR 104          1HG2      THR 104   8.544  -2.264   5.170
  753   2HG2  THR 104          2HG2      THR 104  10.054  -1.610   4.535
  754   3HG2  THR 104          3HG2      THR 104   8.783  -2.130   3.428
  755    H    VAL 105           H        VAL 105   4.984  -2.064   3.886
  756    HA   VAL 105           HA       VAL 105   5.234  -2.896   6.693
  757    HB   VAL 105           HB       VAL 105   2.920  -2.359   5.904
  758   1HG1  VAL 105          1HG1      VAL 105   3.288  -4.820   4.201
  759   2HG1  VAL 105          2HG1      VAL 105   3.100  -3.167   3.615
  760   3HG1  VAL 105          3HG1      VAL 105   1.770  -3.961   4.459
  761   1HG2  VAL 105          1HG2      VAL 105   3.376  -5.230   6.702
  762   2HG2  VAL 105          2HG2      VAL 105   1.883  -4.313   6.907
  763   3HG2  VAL 105          3HG2      VAL 105   3.330  -3.851   7.798
  764    H    TYR 106           H        TYR 106   5.991  -4.819   7.218
  765    HA   TYR 106           HA       TYR 106   6.734  -6.667   5.062
  766   1HB   TYR 106          2HB       TYR 106   7.622  -6.546   7.947
  767   2HB   TYR 106          1HB       TYR 106   8.132  -7.753   6.786
  768    HD1  TYR 106           1HD      TYR 106   9.274  -6.765   4.606
  769    HD2  TYR 106           2HD      TYR 106   8.975  -4.730   8.330
  770    HE1  TYR 106           1HE      TYR 106  11.204  -5.368   3.994
  771    HE2  TYR 106           2HE      TYR 106  10.897  -3.324   7.725
  772    HH   TYR 106           HH       TYR 106  12.079  -3.023   4.656
  773    H    LEU 107           H        LEU 107   5.057  -7.967   4.709
  774    HA   LEU 107           HA       LEU 107   3.785  -9.210   7.053
  775   1HB   LEU 107          2HB       LEU 107   1.678  -9.128   5.969
  776   2HB   LEU 107          1HB       LEU 107   2.377  -7.534   5.806
  777    HG   LEU 107           HG       LEU 107   3.209  -8.659   3.485
  778   1HD1  LEU 107          1HD1      LEU 107   1.302  -9.835   2.494
  779   2HD1  LEU 107          2HD1      LEU 107   0.503  -9.848   4.066
  780   3HD1  LEU 107          3HD1      LEU 107   2.013 -10.731   3.837
  781   1HD2  LEU 107          1HD2      LEU 107   0.588  -7.265   3.979
  782   2HD2  LEU 107          2HD2      LEU 107   1.405  -7.407   2.422
  783   3HD2  LEU 107          3HD2      LEU 107   2.153  -6.491   3.731
  784    H    LYS 108           H        LYS 108   3.365 -11.443   6.877
  785    HA   LYS 108           HA       LYS 108   4.793 -12.725   4.649
  786   1HB   LYS 108          2HB       LYS 108   5.630 -13.434   6.766
  787   2HB   LYS 108          1HB       LYS 108   4.019 -13.721   7.376
  788   1HG   LYS 108          2HG       LYS 108   3.753 -15.672   6.215
  789   2HG   LYS 108          1HG       LYS 108   4.939 -15.222   4.988
  790   1HD   LYS 108          2HD       LYS 108   5.825 -15.633   7.819
  791   2HD   LYS 108          1HD       LYS 108   5.494 -17.043   6.814
  792   1HE   LYS 108          2HE       LYS 108   7.342 -14.820   5.973
  793   2HE   LYS 108          1HE       LYS 108   7.890 -16.247   6.852
  794   1HZ   LYS 108          1HZ       LYS 108   7.198 -17.648   5.074
  795   2HZ   LYS 108          2HZ       LYS 108   8.127 -16.402   4.393
  796   3HZ   LYS 108          3HZ       LYS 108   6.436 -16.371   4.267
  797    H    ALA 109           H        ALA 109   3.643 -13.542   3.061
  798    HA   ALA 109           HA       ALA 109   0.785 -14.042   3.486
  799   1HB   ALA 109          1HB       ALA 109   1.299 -12.430   1.734
  800   2HB   ALA 109          2HB       ALA 109   0.610 -13.894   1.029
  801   3HB   ALA 109          3HB       ALA 109   2.348 -13.605   0.940
  802    H    ASN 110           H        ASN 110  -0.137 -16.032   2.644
  803    HA   ASN 110           HA       ASN 110   1.449 -18.053   1.506
  804   1HB   ASN 110          2HB       ASN 110   1.684 -19.610   3.411
  805   2HB   ASN 110          1HB       ASN 110   2.602 -18.131   3.641
  806   1HD2  ASN 110          1HD2      ASN 110   1.935 -16.638   5.198
  807   2HD2  ASN 110          2HD2      ASN 110   0.852 -17.085   6.470
  Start of MODEL    7
    1    H    HIS   3           H        HIS   3  -6.228  -9.678   4.361
    2    HA   HIS   3           HA       HIS   3  -4.995  -8.997   6.788
    3   1HB   HIS   3          2HB       HIS   3  -3.113 -10.331   6.128
    4   2HB   HIS   3          1HB       HIS   3  -3.189  -9.703   4.482
    5    HD1  HIS   3           1HD      HIS   3  -2.731  -8.112   7.918
    6    HD2  HIS   3           2HD      HIS   3  -1.137  -8.065   4.078
    7    HE1  HIS   3           1HE      HIS   3  -0.834  -6.475   8.001
    8    HE2  HIS   3           2HE      HIS   3   0.175  -6.525   5.693
    9    H    LYS   4           H        LYS   4  -4.681  -6.789   6.897
   10    HA   LYS   4           HA       LYS   4  -4.897  -5.253   4.425
   11   1HB   LYS   4          2HB       LYS   4  -6.626  -3.789   5.491
   12   2HB   LYS   4          1HB       LYS   4  -7.178  -5.417   5.111
   13   1HG   LYS   4          2HG       LYS   4  -6.934  -6.069   7.435
   14   2HG   LYS   4          1HG       LYS   4  -6.310  -4.470   7.837
   15   1HD   LYS   4          2HD       LYS   4  -8.416  -3.451   7.271
   16   2HD   LYS   4          1HD       LYS   4  -9.046  -4.994   6.686
   17   1HE   LYS   4          2HE       LYS   4  -8.917  -5.928   8.915
   18   2HE   LYS   4          1HE       LYS   4  -8.186  -4.444   9.523
   19   1HZ   LYS   4          1HZ       LYS   4 -10.885  -4.555   8.295
   20   2HZ   LYS   4          2HZ       LYS   4 -10.185  -3.258   9.144
   21   3HZ   LYS   4          3HZ       LYS   4 -10.609  -4.681   9.964
   22    H    VAL   5           H        VAL   5  -3.524  -3.579   4.409
   23    HA   VAL   5           HA       VAL   5  -2.431  -2.770   7.015
   24    HB   VAL   5           HB       VAL   5  -1.171  -2.882   4.310
   25   1HG1  VAL   5          1HG1      VAL   5  -0.515  -0.817   6.387
   26   2HG1  VAL   5          2HG1      VAL   5  -0.915  -0.555   4.690
   27   3HG1  VAL   5          3HG1      VAL   5   0.611  -1.329   5.131
   28   1HG2  VAL   5          1HG2      VAL   5  -0.094  -3.253   7.098
   29   2HG2  VAL   5          2HG2      VAL   5   0.692  -3.700   5.585
   30   3HG2  VAL   5          3HG2      VAL   5  -0.766  -4.545   6.104
   31    H    THR   6           H        THR   6  -2.668  -0.821   7.778
   32    HA   THR   6           HA       THR   6  -3.584   1.341   6.022
   33    HB   THR   6           HB       THR   6  -4.315   2.372   8.303
   34    HG1  THR   6           1HG      THR   6  -5.021  -0.041   9.288
   35   1HG2  THR   6          1HG2      THR   6  -5.800   0.064   7.038
   36   2HG2  THR   6          2HG2      THR   6  -5.861   1.752   6.528
   37   3HG2  THR   6          3HG2      THR   6  -6.515   1.281   8.098
   38    H    LYS   7           H        LYS   7  -2.894   3.560   7.047
   39    HA   LYS   7           HA       LYS   7  -0.308   3.955   6.388
   40   1HB   LYS   7          2HB       LYS   7  -1.949   5.731   6.701
   41   2HB   LYS   7          1HB       LYS   7  -1.830   5.546   8.442
   42   1HG   LYS   7          2HG       LYS   7  -0.576   7.481   7.507
   43   2HG   LYS   7          1HG       LYS   7   0.404   6.365   8.463
   44   1HD   LYS   7          2HD       LYS   7   1.383   5.424   6.517
   45   2HD   LYS   7          1HD       LYS   7   0.216   6.215   5.454
   46   1HE   LYS   7          2HE       LYS   7   2.501   7.251   5.487
   47   2HE   LYS   7          1HE       LYS   7   1.181   8.355   5.868
   48   1HZ   LYS   7          1HZ       LYS   7   3.214   8.513   7.310
   49   2HZ   LYS   7          2HZ       LYS   7   2.790   7.009   7.964
   50   3HZ   LYS   7          3HZ       LYS   7   1.744   8.332   8.134
   51    H    ALA   8           H        ALA   8  -1.329   3.170   9.729
   52    HA   ALA   8           HA       ALA   8   1.036   3.733  11.072
   53   1HB   ALA   8          1HB       ALA   8  -0.775   1.389  11.601
   54   2HB   ALA   8          2HB       ALA   8  -1.067   3.041  12.150
   55   3HB   ALA   8          3HB       ALA   8   0.333   2.147  12.746
   56    H    HIS   9           H        HIS   9   0.228   0.963   9.092
   57    HA   HIS   9           HA       HIS   9   2.345  -0.719   9.923
   58   1HB   HIS   9          2HB       HIS   9   0.747  -0.723   7.375
   59   2HB   HIS   9          1HB       HIS   9   1.889  -1.979   7.830
   60    HD1  HIS   9           1HD      HIS   9  -1.481  -0.621   8.636
   61    HD2  HIS   9           2HD      HIS   9   0.964  -3.778   9.767
   62    HE1  HIS   9           1HE      HIS   9  -3.002  -2.304   9.719
   63    HE2  HIS   9           2HE      HIS   9  -1.459  -4.077  10.630
   64    H    ASN  10           H        ASN  10   2.461   2.139   8.275
   65    HA   ASN  10           HA       ASN  10   4.464   2.038   6.423
   66   1HB   ASN  10          2HB       ASN  10   3.396   4.132   7.113
   67   2HB   ASN  10          1HB       ASN  10   4.109   3.996   8.718
   68   1HD2  ASN  10          1HD2      ASN  10   5.831   3.347   5.726
   69   2HD2  ASN  10          2HD2      ASN  10   6.893   4.703   5.828
   70    H    GLY  11           H        GLY  11   4.604   1.104   9.724
   71   1HA   GLY  11          2HA       GLY  11   7.404   0.302   9.334
   72   2HA   GLY  11          1HA       GLY  11   7.000   1.211  10.787
   73    H    ALA  12           H        ALA  12   5.542  -1.522   8.993
   74    HA   ALA  12           HA       ALA  12   5.068  -2.813  11.610
   75   1HB   ALA  12          1HB       ALA  12   3.005  -2.302  10.617
   76   2HB   ALA  12          2HB       ALA  12   3.243  -4.032  10.351
   77   3HB   ALA  12          3HB       ALA  12   3.531  -2.883   9.040
   78    H    THR  13           H        THR  13   5.101  -5.102  11.732
   79    HA   THR  13           HA       THR  13   6.169  -6.660   9.528
   80    HB   THR  13           HB       THR  13   7.593  -6.667  12.208
   81    HG1  THR  13           1HG      THR  13   7.917  -5.079  10.031
   82   1HG2  THR  13          1HG2      THR  13   7.598  -8.837  11.086
   83   2HG2  THR  13          2HG2      THR  13   9.208  -8.119  11.063
   84   3HG2  THR  13          3HG2      THR  13   8.209  -8.084   9.611
   85    H    LEU  14           H        LEU  14   4.700  -8.281   9.427
   86    HA   LEU  14           HA       LEU  14   3.943  -9.765  11.780
   87   1HB   LEU  14          2HB       LEU  14   1.606  -9.266  11.793
   88   2HB   LEU  14          1HB       LEU  14   2.487  -7.759  11.923
   89    HG   LEU  14           HG       LEU  14   1.308  -8.767   9.332
   90   1HD1  LEU  14          1HD1      LEU  14  -0.483  -8.413  10.928
   91   2HD1  LEU  14          2HD1      LEU  14  -0.481  -7.137   9.712
   92   3HD1  LEU  14          3HD1      LEU  14   0.161  -6.820  11.324
   93   1HD2  LEU  14          1HD2      LEU  14   3.154  -7.146   9.156
   94   2HD2  LEU  14          2HD2      LEU  14   2.238  -6.025  10.162
   95   3HD2  LEU  14          3HD2      LEU  14   1.620  -6.495   8.578
   96    H    THR  15           H        THR  15   2.304 -11.488  11.233
   97    HA   THR  15           HA       THR  15   2.817 -12.448   8.513
   98    HB   THR  15           HB       THR  15   1.963 -13.983  10.976
   99    HG1  THR  15           1HG      THR  15   4.150 -14.921  10.547
  100   1HG2  THR  15          1HG2      THR  15   2.246 -15.981   9.635
  101   2HG2  THR  15          2HG2      THR  15   2.723 -15.013   8.240
  102   3HG2  THR  15          3HG2      THR  15   1.072 -14.913   8.858
  103    H    VAL  16           H        VAL  16   1.127 -13.332   7.271
  104    HA   VAL  16           HA       VAL  16  -1.579 -12.519   8.108
  105    HB   VAL  16           HB       VAL  16  -2.040 -11.605   6.002
  106   1HG1  VAL  16          1HG1      VAL  16  -0.586 -10.171   7.290
  107   2HG1  VAL  16          2HG1      VAL  16  -0.216 -10.009   5.573
  108   3HG1  VAL  16          3HG1      VAL  16   0.836 -10.966   6.617
  109   1HG2  VAL  16          1HG2      VAL  16   0.478 -12.840   4.933
  110   2HG2  VAL  16          2HG2      VAL  16  -0.670 -11.854   4.025
  111   3HG2  VAL  16          3HG2      VAL  16  -1.158 -13.433   4.646
  112    H    ALA  17           H        ALA  17  -3.307 -13.813   7.154
  113    HA   ALA  17           HA       ALA  17  -2.407 -16.430   6.146
  114   1HB   ALA  17          1HB       ALA  17  -4.617 -17.240   6.914
  115   2HB   ALA  17          2HB       ALA  17  -4.935 -15.632   7.573
  116   3HB   ALA  17          3HB       ALA  17  -3.618 -16.606   8.223
  117    H    VAL  18           H        VAL  18  -2.499 -16.371   3.973
  118    HA   VAL  18           HA       VAL  18  -4.336 -14.526   2.693
  119    HB   VAL  18           HB       VAL  18  -3.239 -15.084   0.599
  120   1HG1  VAL  18          1HG1      VAL  18  -0.914 -14.367   1.241
  121   2HG1  VAL  18          2HG1      VAL  18  -1.441 -14.461   2.928
  122   3HG1  VAL  18          3HG1      VAL  18  -2.228 -13.339   1.820
  123   1HG2  VAL  18          1HG2      VAL  18  -1.340 -16.616   0.521
  124   2HG2  VAL  18          2HG2      VAL  18  -2.817 -17.456   0.999
  125   3HG2  VAL  18          3HG2      VAL  18  -1.605 -17.040   2.211
  126    H    GLY  19           H        GLY  19  -5.247 -15.370   0.502
  127   1HA   GLY  19          2HA       GLY  19  -6.226 -17.502  -0.449
  128   2HA   GLY  19          1HA       GLY  19  -6.857 -17.760   1.174
  129    H    GLU  20           H        GLU  20  -7.413 -14.966   1.638
  130    HA   GLU  20           HA       GLU  20  -9.862 -14.710   0.053
  131   1HB   GLU  20          2HB       GLU  20  -8.975 -13.244   2.552
  132   2HB   GLU  20          1HB       GLU  20 -10.532 -13.062   1.760
  133   1HG   GLU  20          2HG       GLU  20  -9.575 -15.692   2.831
  134   2HG   GLU  20          1HG       GLU  20 -10.449 -14.523   3.819
  135    H    LEU  21           H        LEU  21  -7.769 -12.291   1.558
  136    HA   LEU  21           HA       LEU  21  -6.844 -11.167  -0.881
  137   1HB   LEU  21          2HB       LEU  21  -9.092 -10.313  -1.060
  138   2HB   LEU  21          1HB       LEU  21  -9.057  -9.748   0.602
  139    HG   LEU  21           HG       LEU  21  -7.336  -8.094  -0.002
  140   1HD1  LEU  21          1HD1      LEU  21  -6.330  -9.334  -1.864
  141   2HD1  LEU  21          2HD1      LEU  21  -6.772  -7.688  -2.320
  142   3HD1  LEU  21          3HD1      LEU  21  -7.782  -9.046  -2.826
  143   1HD2  LEU  21          1HD2      LEU  21  -9.798  -7.979  -1.735
  144   2HD2  LEU  21          2HD2      LEU  21  -8.779  -6.612  -1.291
  145   3HD2  LEU  21          3HD2      LEU  21  -9.694  -7.467  -0.051
  146    H    VAL  22           H        VAL  22  -4.901 -10.354  -0.409
  147    HA   VAL  22           HA       VAL  22  -4.516  -9.302   2.308
  148    HB   VAL  22           HB       VAL  22  -2.727 -10.905   0.541
  149   1HG1  VAL  22          1HG1      VAL  22  -1.474  -8.781   0.645
  150   2HG1  VAL  22          2HG1      VAL  22  -0.692 -10.035   1.608
  151   3HG1  VAL  22          3HG1      VAL  22  -1.636  -8.775   2.398
  152   1HG2  VAL  22          1HG2      VAL  22  -3.035 -10.551   3.509
  153   2HG2  VAL  22          2HG2      VAL  22  -2.016 -11.753   2.715
  154   3HG2  VAL  22          3HG2      VAL  22  -3.768 -11.812   2.521
  155    H    GLU  23           H        GLU  23  -4.778  -7.185   2.334
  156    HA   GLU  23           HA       GLU  23  -3.911  -5.711  -0.064
  157   1HB   GLU  23          2HB       GLU  23  -5.630  -4.134   0.249
  158   2HB   GLU  23          1HB       GLU  23  -6.371  -5.720   0.391
  159   1HG   GLU  23          2HG       GLU  23  -6.641  -5.517   2.703
  160   2HG   GLU  23          1HG       GLU  23  -5.503  -4.175   2.800
  161    H    ILE  24           H        ILE  24  -3.256  -3.570   0.178
  162    HA   ILE  24           HA       ILE  24  -2.160  -2.796   2.799
  163    HB   ILE  24           HB       ILE  24  -0.746  -2.531   0.142
  164   1HG1  ILE  24          2HG1      ILE  24  -0.729  -4.860   0.860
  165   2HG1  ILE  24          1HG1      ILE  24   0.880  -4.160   1.021
  166   1HG2  ILE  24          1HG2      ILE  24  -0.242  -0.713   1.653
  167   2HG2  ILE  24          2HG2      ILE  24   1.161  -1.765   1.470
  168   3HG2  ILE  24          3HG2      ILE  24   0.171  -1.862   2.927
  169   1HD1  ILE  24          1HD1      ILE  24  -1.095  -4.550   3.253
  170   2HD1  ILE  24          2HD1      ILE  24   0.532  -3.885   3.404
  171   3HD1  ILE  24          3HD1      ILE  24   0.308  -5.565   2.915
  172    H    GLN  25           H        GLN  25  -3.471  -1.034   3.199
  173    HA   GLN  25           HA       GLN  25  -4.054   0.730   0.924
  174   1HB   GLN  25          2HB       GLN  25  -6.055  -0.076   1.836
  175   2HB   GLN  25          1HB       GLN  25  -5.495   0.199   3.491
  176   1HG   GLN  25          2HG       GLN  25  -5.534   2.619   1.920
  177   2HG   GLN  25          1HG       GLN  25  -7.112   1.848   1.975
  178   1HE2  GLN  25          1HE2      GLN  25  -4.566   3.274   3.916
  179   2HE2  GLN  25          2HE2      GLN  25  -5.530   3.549   5.323
  180    H    LEU  26           H        LEU  26  -3.548   2.833   0.960
  181    HA   LEU  26           HA       LEU  26  -2.561   3.891   3.482
  182   1HB   LEU  26          2HB       LEU  26  -1.425   4.200   0.753
  183   2HB   LEU  26          1HB       LEU  26  -1.149   5.431   1.979
  184    HG   LEU  26           HG       LEU  26  -0.678   2.673   2.830
  185   1HD1  LEU  26          1HD1      LEU  26   1.520   2.561   1.763
  186   2HD1  LEU  26          2HD1      LEU  26   1.150   4.037   0.869
  187   3HD1  LEU  26          3HD1      LEU  26   0.211   2.569   0.579
  188   1HD2  LEU  26          1HD2      LEU  26  -0.284   4.529   4.302
  189   2HD2  LEU  26          2HD2      LEU  26   0.835   5.247   3.140
  190   3HD2  LEU  26          3HD2      LEU  26   1.237   3.720   3.929
  191    HA   PRO  27           HA       PRO  27  -5.726   6.838   2.893
  192   1HB   PRO  27          2HB       PRO  27  -5.183   8.510   4.853
  193   2HB   PRO  27          1HB       PRO  27  -5.526   6.815   5.225
  194   1HG   PRO  27          2HG       PRO  27  -2.834   8.152   4.949
  195   2HG   PRO  27          1HG       PRO  27  -3.421   7.107   6.256
  196   1HD   PRO  27          2HD       PRO  27  -1.898   6.219   4.191
  197   2HD   PRO  27          1HD       PRO  27  -3.074   5.196   5.039
  198    H    SER  28           H        SER  28  -2.925   7.250   1.549
  199    HA   SER  28           HA       SER  28  -1.864   8.753   0.274
  200   1HB   SER  28          2HB       SER  28  -4.238   9.218  -0.559
  201   2HB   SER  28          1HB       SER  28  -4.233  10.599   0.542
  202    HG   SER  28           HG       SER  28  -2.411  10.119  -1.588
  203    H    ASN  29           H        ASN  29  -3.617  10.610   2.695
  204    HA   ASN  29           HA       ASN  29  -3.027  12.340   4.058
  205   1HB   ASN  29          2HB       ASN  29  -0.146  11.560   3.983
  206   2HB   ASN  29          1HB       ASN  29  -1.096  12.155   5.329
  207   1HD2  ASN  29          1HD2      ASN  29   0.130   9.434   3.732
  208   2HD2  ASN  29          2HD2      ASN  29  -0.574   8.221   4.756
  209    HA   PRO  30           HA       PRO  30  -1.922  14.331   0.118
  210   1HB   PRO  30          2HB       PRO  30  -3.450  16.572   1.319
  211   2HB   PRO  30          1HB       PRO  30  -3.653  15.777  -0.248
  212   1HG   PRO  30          2HG       PRO  30  -5.393  15.306   1.689
  213   2HG   PRO  30          1HG       PRO  30  -4.803  13.974   0.671
  214   1HD   PRO  30          2HD       PRO  30  -3.944  14.736   3.435
  215   2HD   PRO  30          1HD       PRO  30  -4.341  13.133   2.781
  216    H    THR  31           H        THR  31   0.255  14.632   0.465
  217    HA   THR  31           HA       THR  31   1.161  16.852   2.075
  218    HB   THR  31           HB       THR  31   3.360  16.168   1.572
  219    HG1  THR  31           1HG      THR  31   3.953  15.330  -0.312
  220   1HG2  THR  31          1HG2      THR  31   2.050  14.455   2.839
  221   2HG2  THR  31          2HG2      THR  31   3.416  13.787   1.944
  222   3HG2  THR  31          3HG2      THR  31   1.773  13.601   1.314
  223    H    THR  32           H        THR  32   0.885  16.008  -1.331
  224    HA   THR  32           HA       THR  32   0.126  18.445  -2.328
  225    HB   THR  32           HB       THR  32   2.254  19.371  -1.596
  226    HG1  THR  32           1HG      THR  32   2.848  20.312  -3.507
  227   1HG2  THR  32          1HG2      THR  32   4.395  18.600  -2.487
  228   2HG2  THR  32          2HG2      THR  32   3.572  17.269  -3.301
  229   3HG2  THR  32          3HG2      THR  32   3.592  17.346  -1.540
  230    H    GLY  33           H        GLY  33   2.109  18.064  -4.715
  231   1HA   GLY  33          2HA       GLY  33   0.503  16.504  -6.361
  232   2HA   GLY  33          1HA       GLY  33   2.189  16.858  -6.672
  233    H    PHE  34           H        PHE  34   3.045  15.437  -4.229
  234    HA   PHE  34           HA       PHE  34   3.591  12.891  -5.193
  235   1HB   PHE  34          2HB       PHE  34   3.446  13.879  -2.336
  236   2HB   PHE  34          1HB       PHE  34   4.194  12.369  -2.838
  237    HD1  PHE  34           1HD      PHE  34   4.389  16.033  -3.332
  238    HD2  PHE  34           2HD      PHE  34   6.449  12.331  -3.437
  239    HE1  PHE  34           1HE      PHE  34   6.503  17.231  -3.667
  240    HE2  PHE  34           2HE      PHE  34   8.574  13.516  -3.777
  241    HZ   PHE  34           HZ       PHE  34   8.625  15.925  -3.907
  242    H    ALA  35           H        ALA  35   2.736  10.858  -4.811
  243    HA   ALA  35           HA       ALA  35   0.372  10.499  -3.150
  244   1HB   ALA  35          1HB       ALA  35   0.344   9.810  -6.103
  245   2HB   ALA  35          2HB       ALA  35  -0.549  11.140  -5.355
  246   3HB   ALA  35          3HB       ALA  35  -0.940   9.471  -4.941
  247    H    TRP  36           H        TRP  36  -0.110   8.101  -2.874
  248    HA   TRP  36           HA       TRP  36   2.439   6.765  -2.631
  249   1HB   TRP  36          2HB       TRP  36  -0.303   5.704  -1.902
  250   2HB   TRP  36          1HB       TRP  36   1.237   4.920  -1.569
  251    HD1  TRP  36           HD       TRP  36  -1.043   7.660  -0.263
  252    HE1  TRP  36           1HE      TRP  36  -0.174   8.394   2.035
  253    HE3  TRP  36           3HE      TRP  36   3.437   5.230  -0.290
  254    HZ2  TRP  36           2HZ      TRP  36   2.092   7.984   3.645
  255    HZ3  TRP  36           3HZ      TRP  36   4.913   5.444   1.658
  256    HH2  TRP  36           HH       TRP  36   4.258   6.806   3.590
  257    H    TYR  37           H        TYR  37   3.324   5.661  -4.160
  258    HA   TYR  37           HA       TYR  37   1.663   3.731  -5.647
  259   1HB   TYR  37          2HB       TYR  37   4.096   5.267  -6.598
  260   2HB   TYR  37          1HB       TYR  37   3.473   3.843  -7.421
  261    HD1  TYR  37           1HD      TYR  37   2.930   7.347  -6.652
  262    HD2  TYR  37           2HD      TYR  37   1.391   3.938  -8.665
  263    HE1  TYR  37           1HE      TYR  37   1.376   8.801  -7.918
  264    HE2  TYR  37           2HE      TYR  37  -0.159   5.365  -9.937
  265    HH   TYR  37           HH       TYR  37   0.073   8.809  -9.937
  266    H    PHE  38           H        PHE  38   3.315   1.865  -6.425
  267    HA   PHE  38           HA       PHE  38   4.915   1.027  -4.233
  268   1HB   PHE  38          2HB       PHE  38   4.279   0.042  -6.899
  269   2HB   PHE  38          1HB       PHE  38   5.946  -0.240  -6.425
  270    HD1  PHE  38           1HD      PHE  38   2.516  -1.251  -6.022
  271    HD2  PHE  38           2HD      PHE  38   6.405  -1.513  -4.315
  272    HE1  PHE  38           1HE      PHE  38   1.807  -3.204  -4.701
  273    HE2  PHE  38           2HE      PHE  38   5.702  -3.464  -2.997
  274    HZ   PHE  38           HZ       PHE  38   3.342  -4.292  -3.197
  275    H    GLU  39           H        GLU  39   6.108   1.525  -7.530
  276    HA   GLU  39           HA       GLU  39   8.225   3.223  -6.415
  277   1HB   GLU  39          2HB       GLU  39   9.754   2.273  -8.150
  278   2HB   GLU  39          1HB       GLU  39   9.258   1.135  -6.910
  279   1HG   GLU  39          2HG       GLU  39   8.741  -0.257  -8.540
  280   2HG   GLU  39          1HG       GLU  39   7.387   0.806  -8.921
  281    H    GLY  40           H        GLY  40   5.567   3.231  -8.349
  282   1HA   GLY  40          2HA       GLY  40   5.227   5.672  -8.982
  283   2HA   GLY  40          1HA       GLY  40   6.701   5.478  -9.914
  284    H    GLY  41           H        GLY  41   3.300   5.120  -9.874
  285   1HA   GLY  41          2HA       GLY  41   1.786   4.415 -11.458
  286   2HA   GLY  41          1HA       GLY  41   3.068   4.657 -12.636
  287    H    THR  42           H        THR  42   3.548   2.490 -10.018
  288    HA   THR  42           HA       THR  42   3.137   0.147 -11.722
  289    HB   THR  42           HB       THR  42   5.387  -0.605 -10.527
  290    HG1  THR  42           1HG      THR  42   6.780   1.452 -10.866
  291   1HG2  THR  42          1HG2      THR  42   5.249   1.024 -13.065
  292   2HG2  THR  42          2HG2      THR  42   5.024  -0.720 -12.911
  293   3HG2  THR  42          3HG2      THR  42   6.603  -0.003 -12.592
  294    H    LYS  43           H        LYS  43   2.435  -1.603 -10.613
  295    HA   LYS  43           HA       LYS  43   3.353  -1.851  -7.872
  296   1HB   LYS  43          2HB       LYS  43   1.296  -2.458  -6.946
  297   2HB   LYS  43          1HB       LYS  43   1.004  -0.974  -7.827
  298   1HG   LYS  43          2HG       LYS  43   0.341  -3.737  -8.855
  299   2HG   LYS  43          1HG       LYS  43  -0.800  -2.685  -8.025
  300   1HD   LYS  43          2HD       LYS  43  -1.305  -1.729  -9.970
  301   2HD   LYS  43          1HD       LYS  43   0.364  -1.185 -10.126
  302   1HE   LYS  43          2HE       LYS  43  -0.351  -2.470 -12.078
  303   2HE   LYS  43          1HE       LYS  43   0.962  -3.272 -11.220
  304   1HZ   LYS  43          1HZ       LYS  43  -0.639  -4.767 -10.216
  305   2HZ   LYS  43          2HZ       LYS  43  -0.768  -4.824 -11.901
  306   3HZ   LYS  43          3HZ       LYS  43  -1.919  -3.972 -10.992
  307    H    GLU  44           H        GLU  44   3.931  -3.864  -7.334
  308    HA   GLU  44           HA       GLU  44   3.121  -6.066  -9.078
  309   1HB   GLU  44          2HB       GLU  44   5.459  -6.975  -8.861
  310   2HB   GLU  44          1HB       GLU  44   5.314  -5.527  -9.849
  311   1HG   GLU  44          2HG       GLU  44   5.994  -4.209  -7.814
  312   2HG   GLU  44          1HG       GLU  44   6.377  -5.751  -7.048
  313    H    SER  45           H        SER  45   2.839  -8.032  -8.065
  314    HA   SER  45           HA       SER  45   3.020  -7.971  -5.118
  315   1HB   SER  45          2HB       SER  45   1.559 -10.116  -5.413
  316   2HB   SER  45          1HB       SER  45   0.814  -8.535  -5.621
  317    HG   SER  45           HG       SER  45   1.811  -9.351  -7.976
  318    HA   PRO  46           HA       PRO  46   6.614 -10.412  -5.700
  319   1HB   PRO  46          2HB       PRO  46   6.641 -10.927  -2.845
  320   2HB   PRO  46          1HB       PRO  46   7.655  -9.823  -3.779
  321   1HG   PRO  46          2HG       PRO  46   5.786  -8.963  -2.005
  322   2HG   PRO  46          1HG       PRO  46   6.242  -8.041  -3.449
  323   1HD   PRO  46          2HD       PRO  46   3.874  -9.842  -3.031
  324   2HD   PRO  46          1HD       PRO  46   3.931  -8.230  -3.782
  325    H    ASN  47           H        ASN  47   4.178 -11.877  -6.097
  326    HA   ASN  47           HA       ASN  47   5.148 -14.512  -5.849
  327   1HB   ASN  47          2HB       ASN  47   4.162 -13.763  -3.460
  328   2HB   ASN  47          1HB       ASN  47   2.666 -14.274  -4.234
  329   1HD2  ASN  47          1HD2      ASN  47   4.036 -15.454  -1.978
  330   2HD2  ASN  47          2HD2      ASN  47   4.389 -17.084  -2.420
  331    H    GLU  48           H        GLU  48   4.063 -12.738  -7.841
  332    HA   GLU  48           HA       GLU  48   1.356 -13.726  -8.281
  333   1HB   GLU  48          2HB       GLU  48   1.199 -11.957 -10.012
  334   2HB   GLU  48          1HB       GLU  48   1.557 -11.339  -8.404
  335   1HG   GLU  48          2HG       GLU  48   3.875 -11.025  -9.007
  336   2HG   GLU  48          1HG       GLU  48   3.581 -11.725 -10.598
  337    H    SER  49           H        SER  49   1.256 -15.583  -9.279
  338    HA   SER  49           HA       SER  49   2.412 -15.788 -11.952
  339   1HB   SER  49          2HB       SER  49   2.670 -17.988  -9.887
  340   2HB   SER  49          1HB       SER  49   3.231 -18.054 -11.558
  341    HG   SER  49           HG       SER  49   4.297 -15.892 -10.552
  342    H    MET  50           H        MET  50  -0.227 -15.560 -10.372
  343    HA   MET  50           HA       MET  50  -1.972 -17.037 -11.963
  344   1HB   MET  50          2HB       MET  50  -2.762 -18.731 -10.332
  345   2HB   MET  50          1HB       MET  50  -1.140 -19.030 -10.936
  346   1HG   MET  50          2HG       MET  50  -0.186 -18.171  -8.879
  347   2HG   MET  50          1HG       MET  50  -1.794 -17.764  -8.280
  348   1HE   MET  50          1HE       MET  50  -1.078 -19.097  -6.045
  349   2HE   MET  50          2HE       MET  50   0.461 -19.566  -6.766
  350   3HE   MET  50          3HE       MET  50  -0.581 -20.790  -6.040
  351    H    PHE  51           H        PHE  51  -1.189 -15.579  -8.958
  352    HA   PHE  51           HA       PHE  51  -3.816 -14.280  -8.855
  353   1HB   PHE  51          2HB       PHE  51  -2.170 -15.575  -6.731
  354   2HB   PHE  51          1HB       PHE  51  -3.045 -14.112  -6.289
  355    HD1  PHE  51           1HD      PHE  51  -3.680 -17.300  -8.143
  356    HD2  PHE  51           2HD      PHE  51  -5.138 -14.403  -5.383
  357    HE1  PHE  51           1HE      PHE  51  -5.718 -18.638  -7.818
  358    HE2  PHE  51           2HE      PHE  51  -7.176 -15.739  -5.053
  359    HZ   PHE  51           HZ       PHE  51  -7.505 -17.812  -6.317
  360    H    THR  52           H        THR  52  -3.576 -12.004  -7.755
  361    HA   THR  52           HA       THR  52  -1.086 -10.762  -8.571
  362    HB   THR  52           HB       THR  52  -2.175 -11.252 -10.727
  363    HG1  THR  52           1HG      THR  52  -0.985  -9.472 -10.976
  364   1HG2  THR  52          1HG2      THR  52  -4.505 -11.179 -10.029
  365   2HG2  THR  52          2HG2      THR  52  -4.228 -10.054 -11.360
  366   3HG2  THR  52          3HG2      THR  52  -4.372  -9.449  -9.710
  367    H    VAL  53           H        VAL  53  -1.249  -8.336  -8.575
  368    HA   VAL  53           HA       VAL  53  -2.957  -7.472  -6.336
  369    HB   VAL  53           HB       VAL  53  -0.595  -7.391  -5.780
  370   1HG1  VAL  53          1HG1      VAL  53   0.293  -7.228  -8.052
  371   2HG1  VAL  53          2HG1      VAL  53   0.983  -5.996  -6.994
  372   3HG1  VAL  53          3HG1      VAL  53  -0.273  -5.560  -8.153
  373   1HG2  VAL  53          1HG2      VAL  53  -2.023  -5.626  -4.867
  374   2HG2  VAL  53          2HG2      VAL  53  -1.670  -4.611  -6.265
  375   3HG2  VAL  53          3HG2      VAL  53  -0.384  -5.043  -5.141
  376    H    GLU  54           H        GLU  54  -4.272  -5.784  -6.548
  377    HA   GLU  54           HA       GLU  54  -4.117  -4.150  -9.000
  378   1HB   GLU  54          2HB       GLU  54  -6.567  -3.761  -8.658
  379   2HB   GLU  54          1HB       GLU  54  -6.161  -5.438  -9.004
  380   1HG   GLU  54          2HG       GLU  54  -6.342  -5.980  -6.636
  381   2HG   GLU  54          1HG       GLU  54  -6.715  -4.297  -6.273
  382    H    ASN  55           H        ASN  55  -4.017  -1.944  -8.739
  383    HA   ASN  55           HA       ASN  55  -4.084  -1.017  -5.957
  384   1HB   ASN  55          2HB       ASN  55  -2.865   1.008  -6.742
  385   2HB   ASN  55          1HB       ASN  55  -1.959  -0.487  -6.878
  386   1HD2  ASN  55          1HD2      ASN  55  -4.427   0.234  -9.241
  387   2HD2  ASN  55          2HD2      ASN  55  -3.337   0.612 -10.538
  388    H    LYS  56           H        LYS  56  -5.260   0.721  -5.333
  389    HA   LYS  56           HA       LYS  56  -7.057   1.988  -7.232
  390   1HB   LYS  56          2HB       LYS  56  -8.752   1.296  -5.114
  391   2HB   LYS  56          1HB       LYS  56  -8.813   0.681  -6.762
  392   1HG   LYS  56          2HG       LYS  56  -8.414  -1.347  -5.961
  393   2HG   LYS  56          1HG       LYS  56  -6.820  -0.793  -5.449
  394   1HD   LYS  56          2HD       LYS  56  -8.061  -1.809  -3.601
  395   2HD   LYS  56          1HD       LYS  56  -7.724  -0.099  -3.306
  396   1HE   LYS  56          2HE       LYS  56 -10.039  -0.867  -2.711
  397   2HE   LYS  56          1HE       LYS  56  -9.939   0.517  -3.787
  398   1HZ   LYS  56          1HZ       LYS  56 -10.507  -2.287  -4.600
  399   2HZ   LYS  56          2HZ       LYS  56 -10.378  -0.976  -5.665
  400   3HZ   LYS  56          3HZ       LYS  56 -11.632  -1.021  -4.527
  401    H    TYR  57           H        TYR  57  -6.559   4.026  -6.791
  402    HA   TYR  57           HA       TYR  57  -6.405   4.796  -3.958
  403   1HB   TYR  57          2HB       TYR  57  -5.123   6.764  -5.489
  404   2HB   TYR  57          1HB       TYR  57  -4.427   5.667  -4.315
  405    HD1  TYR  57           1HD      TYR  57  -4.948   6.316  -7.882
  406    HD2  TYR  57           2HD      TYR  57  -3.175   3.723  -5.017
  407    HE1  TYR  57           1HE      TYR  57  -3.560   5.320  -9.648
  408    HE2  TYR  57           2HE      TYR  57  -1.784   2.721  -6.777
  409    HH   TYR  57           HH       TYR  57  -1.780   2.449  -9.205
  410    H    PHE  58           H        PHE  58  -7.703   6.276  -3.226
  411    HA   PHE  58           HA       PHE  58  -8.849   8.238  -5.099
  412   1HB   PHE  58          2HB       PHE  58 -10.264   6.886  -2.779
  413   2HB   PHE  58          1HB       PHE  58 -10.937   8.186  -3.763
  414    HD1  PHE  58           1HD      PHE  58 -10.177   4.632  -3.582
  415    HD2  PHE  58           2HD      PHE  58 -11.641   7.767  -6.059
  416    HE1  PHE  58           1HE      PHE  58 -11.128   2.966  -5.116
  417    HE2  PHE  58           2HE      PHE  58 -12.596   6.102  -7.602
  418    HZ   PHE  58           HZ       PHE  58 -12.340   3.698  -7.126
  419    HA   PRO  59           HA       PRO  59  -6.927  10.716  -1.724
  420   1HB   PRO  59          2HB       PRO  59  -6.889  12.653  -3.982
  421   2HB   PRO  59          1HB       PRO  59  -5.592  12.203  -2.866
  422   1HG   PRO  59          2HG       PRO  59  -5.494  11.344  -5.346
  423   2HG   PRO  59          1HG       PRO  59  -5.119  10.222  -4.029
  424   1HD   PRO  59          2HD       PRO  59  -7.724  10.545  -5.518
  425   2HD   PRO  59          1HD       PRO  59  -6.796   9.055  -5.218
  426    HA   PRO  60           HA       PRO  60 -10.246  13.219  -0.342
  427   1HB   PRO  60          2HB       PRO  60  -8.827  15.711  -1.227
  428   2HB   PRO  60          1HB       PRO  60  -9.664  15.375   0.298
  429   1HG   PRO  60          2HG       PRO  60  -7.062  15.215   0.281
  430   2HG   PRO  60          1HG       PRO  60  -7.986  13.899   1.025
  431   1HD   PRO  60          2HD       PRO  60  -6.678  13.976  -1.679
  432   2HD   PRO  60          1HD       PRO  60  -6.694  12.667  -0.477
  433    H    ASP  61           H        ASP  61  -9.054  14.825  -3.309
  434    HA   ASP  61           HA       ASP  61 -10.122  15.620  -5.162
  435   1HB   ASP  61          2HB       ASP  61 -10.888  13.287  -5.424
  436   2HB   ASP  61          1HB       ASP  61 -12.254  13.613  -4.356
  437    H    SER  62           H        SER  62 -13.127  14.876  -3.697
  438    HA   SER  62           HA       SER  62 -13.557  17.276  -2.278
  439   1HB   SER  62          2HB       SER  62 -15.004  16.936  -4.922
  440   2HB   SER  62          1HB       SER  62 -15.472  18.089  -3.676
  441    HG   SER  62           HG       SER  62 -12.824  18.243  -4.409
  442    H    LYS  63           H        LYS  63 -14.944  14.567  -4.036
  443    HA   LYS  63           HA       LYS  63 -16.760  14.063  -1.784
  444   1HB   LYS  63          2HB       LYS  63 -18.335  14.025  -3.368
  445   2HB   LYS  63          1HB       LYS  63 -17.136  14.090  -4.645
  446   1HG   LYS  63          2HG       LYS  63 -17.895  11.526  -3.277
  447   2HG   LYS  63          1HG       LYS  63 -18.753  12.151  -4.683
  448   1HD   LYS  63          2HD       LYS  63 -15.790  11.534  -4.573
  449   2HD   LYS  63          1HD       LYS  63 -17.029  10.476  -5.274
  450   1HE   LYS  63          2HE       LYS  63 -16.390  13.276  -6.204
  451   2HE   LYS  63          1HE       LYS  63 -15.843  11.794  -6.983
  452   1HZ   LYS  63          1HZ       LYS  63 -17.726  12.552  -8.164
  453   2HZ   LYS  63          2HZ       LYS  63 -18.628  12.791  -6.752
  454   3HZ   LYS  63          3HZ       LYS  63 -18.249  11.217  -7.258
  455    H    LEU  64           H        LEU  64 -14.149  12.757  -3.668
  456    HA   LEU  64           HA       LEU  64 -14.560  10.021  -3.346
  457   1HB   LEU  64          2HB       LEU  64 -12.000  11.580  -3.576
  458   2HB   LEU  64          1HB       LEU  64 -12.057   9.828  -3.582
  459    HG   LEU  64           HG       LEU  64 -13.291  11.666  -5.633
  460   1HD1  LEU  64          1HD1      LEU  64 -10.872  11.479  -5.808
  461   2HD1  LEU  64          2HD1      LEU  64 -11.663  10.641  -7.142
  462   3HD1  LEU  64          3HD1      LEU  64 -10.996   9.718  -5.795
  463   1HD2  LEU  64          1HD2      LEU  64 -13.306   8.652  -5.478
  464   2HD2  LEU  64          2HD2      LEU  64 -13.868   9.612  -6.844
  465   3HD2  LEU  64          3HD2      LEU  64 -14.705   9.712  -5.294
  466    H    LEU  65           H        LEU  65 -12.448  12.115  -1.419
  467    HA   LEU  65           HA       LEU  65 -13.041  10.380   0.860
  468   1HB   LEU  65          2HB       LEU  65 -10.700  10.126  -0.196
  469   2HB   LEU  65          1HB       LEU  65 -10.372  11.706   0.476
  470    HG   LEU  65           HG       LEU  65  -9.451   9.893   1.841
  471   1HD1  LEU  65          1HD1      LEU  65 -10.360  10.567   4.017
  472   2HD1  LEU  65          2HD1      LEU  65 -11.653  11.433   3.182
  473   3HD1  LEU  65          3HD1      LEU  65  -9.972  11.933   2.974
  474   1HD2  LEU  65          1HD2      LEU  65 -12.304   9.075   2.312
  475   2HD2  LEU  65          2HD2      LEU  65 -10.870   8.402   3.096
  476   3HD2  LEU  65          3HD2      LEU  65 -11.113   8.183   1.361
  477    H    GLY  66           H        GLY  66 -11.278  13.353   0.288
  478   1HA   GLY  66          2HA       GLY  66 -12.334  15.514   0.654
  479   2HA   GLY  66          1HA       GLY  66 -13.231  14.772   1.973
  480    H    ALA  67           H        ALA  67 -11.274  13.407   3.285
  481    HA   ALA  67           HA       ALA  67  -9.864  15.622   4.537
  482   1HB   ALA  67          1HB       ALA  67 -11.123  14.142   5.968
  483   2HB   ALA  67          2HB       ALA  67  -9.403  14.016   6.333
  484   3HB   ALA  67          3HB       ALA  67 -10.200  12.757   5.390
  485    H    GLY  68           H        GLY  68  -8.747  12.267   4.273
  486   1HA   GLY  68          2HA       GLY  68  -6.123  13.355   3.530
  487   2HA   GLY  68          1HA       GLY  68  -6.378  11.844   4.388
  488    H    GLY  69           H        GLY  69  -7.947  10.342   2.956
  489   1HA   GLY  69          2HA       GLY  69  -8.274  10.195   0.369
  490   2HA   GLY  69          1HA       GLY  69  -6.519  10.112   0.416
  491    H    THR  70           H        THR  70  -7.438   8.058  -0.735
  492    HA   THR  70           HA       THR  70  -7.076   5.896   1.126
  493    HB   THR  70           HB       THR  70  -9.230   4.892  -0.225
  494    HG1  THR  70           1HG      THR  70  -9.452   7.460  -0.567
  495   1HG2  THR  70          1HG2      THR  70 -10.383   5.092   1.932
  496   2HG2  THR  70          2HG2      THR  70  -9.192   6.291   2.450
  497   3HG2  THR  70          3HG2      THR  70  -8.692   4.626   2.144
  498    H    GLU  71           H        GLU  71  -5.206   5.739  -0.109
  499    HA   GLU  71           HA       GLU  71  -5.527   4.722  -2.850
  500   1HB   GLU  71          2HB       GLU  71  -2.956   5.515  -1.457
  501   2HB   GLU  71          1HB       GLU  71  -3.211   5.277  -3.181
  502   1HG   GLU  71          2HG       GLU  71  -4.802   7.234  -3.090
  503   2HG   GLU  71          1HG       GLU  71  -4.204   7.533  -1.461
  504    H    HIS  72           H        HIS  72  -5.856   2.512  -2.706
  505    HA   HIS  72           HA       HIS  72  -4.197   1.148  -0.691
  506   1HB   HIS  72          2HB       HIS  72  -6.491  -0.418  -1.630
  507   2HB   HIS  72          1HB       HIS  72  -5.803  -0.234  -0.028
  508    HD1  HIS  72           1HD      HIS  72  -8.211  -0.268   0.888
  509    HD2  HIS  72           2HD      HIS  72  -7.327   3.013  -1.484
  510    HE1  HIS  72           1HE      HIS  72 -10.108   1.316   1.198
  511    HE2  HIS  72           2HE      HIS  72  -9.703   3.157  -0.459
  512    H    PHE  73           H        PHE  73  -3.380  -0.816  -1.116
  513    HA   PHE  73           HA       PHE  73  -3.134  -1.575  -3.946
  514   1HB   PHE  73          2HB       PHE  73  -1.195  -1.470  -1.656
  515   2HB   PHE  73          1HB       PHE  73  -0.877  -2.516  -3.044
  516    HD1  PHE  73           1HD      PHE  73   0.071  -1.629  -4.991
  517    HD2  PHE  73           2HD      PHE  73  -1.581   0.999  -2.078
  518    HE1  PHE  73           1HE      PHE  73   1.009   0.299  -6.198
  519    HE2  PHE  73           2HE      PHE  73  -0.644   2.929  -3.280
  520    HZ   PHE  73           HZ       PHE  73   0.587   2.596  -5.368
  521    H    HIS  74           H        HIS  74  -4.381  -3.324  -4.222
  522    HA   HIS  74           HA       HIS  74  -4.752  -5.144  -1.937
  523   1HB   HIS  74          2HB       HIS  74  -6.482  -4.444  -4.300
  524   2HB   HIS  74          1HB       HIS  74  -6.784  -5.878  -3.336
  525    HD1  HIS  74           1HD      HIS  74  -9.088  -4.854  -2.714
  526    HD2  HIS  74           2HD      HIS  74  -5.828  -2.655  -1.359
  527    HE1  HIS  74           1HE      HIS  74  -9.994  -3.311  -0.965
  528    HE2  HIS  74           2HE      HIS  74  -7.937  -2.310   0.086
  529    H    VAL  75           H        VAL  75  -3.285  -6.809  -2.140
  530    HA   VAL  75           HA       VAL  75  -3.065  -7.982  -4.811
  531    HB   VAL  75           HB       VAL  75  -0.860  -7.917  -4.442
  532   1HG1  VAL  75          1HG1      VAL  75  -1.189  -7.815  -1.457
  533   2HG1  VAL  75          2HG1      VAL  75  -1.178  -6.400  -2.513
  534   3HG1  VAL  75          3HG1      VAL  75   0.255  -7.432  -2.408
  535   1HG2  VAL  75          1HG2      VAL  75  -1.416 -10.109  -2.452
  536   2HG2  VAL  75          2HG2      VAL  75   0.135  -9.782  -3.225
  537   3HG2  VAL  75          3HG2      VAL  75  -1.243 -10.304  -4.197
  538    H    THR  76           H        THR  76  -4.072  -9.709  -5.237
  539    HA   THR  76           HA       THR  76  -5.227 -11.301  -3.057
  540    HB   THR  76           HB       THR  76  -5.949 -11.439  -5.993
  541    HG1  THR  76           1HG      THR  76  -6.314  -9.356  -4.390
  542   1HG2  THR  76          1HG2      THR  76  -8.087 -12.291  -5.124
  543   2HG2  THR  76          2HG2      THR  76  -7.466 -12.153  -3.478
  544   3HG2  THR  76          3HG2      THR  76  -6.727 -13.289  -4.608
  545    H    VAL  77           H        VAL  77  -3.787 -12.854  -2.569
  546    HA   VAL  77           HA       VAL  77  -2.913 -14.662  -4.683
  547    HB   VAL  77           HB       VAL  77  -1.067 -13.077  -4.568
  548   1HG1  VAL  77          1HG1      VAL  77  -1.468 -12.178  -2.342
  549   2HG1  VAL  77          2HG1      VAL  77   0.203 -12.714  -2.505
  550   3HG1  VAL  77          3HG1      VAL  77  -0.958 -13.703  -1.619
  551   1HG2  VAL  77          1HG2      VAL  77   0.774 -14.588  -4.027
  552   2HG2  VAL  77          2HG2      VAL  77  -0.499 -15.440  -4.899
  553   3HG2  VAL  77          3HG2      VAL  77  -0.335 -15.647  -3.153
  554    H    LYS  78           H        LYS  78  -2.613 -16.772  -3.970
  555    HA   LYS  78           HA       LYS  78  -2.364 -17.143  -1.089
  556   1HB   LYS  78          2HB       LYS  78  -3.832 -18.926  -0.953
  557   2HB   LYS  78          1HB       LYS  78  -4.676 -17.810  -2.005
  558   1HG   LYS  78          2HG       LYS  78  -3.094 -20.177  -2.980
  559   2HG   LYS  78          1HG       LYS  78  -4.831 -20.194  -2.679
  560   1HD   LYS  78          2HD       LYS  78  -5.240 -18.649  -4.421
  561   2HD   LYS  78          1HD       LYS  78  -3.529 -18.243  -4.564
  562   1HE   LYS  78          2HE       LYS  78  -4.364 -19.723  -6.375
  563   2HE   LYS  78          1HE       LYS  78  -3.020 -20.400  -5.460
  564   1HZ   LYS  78          1HZ       LYS  78  -4.461 -21.858  -4.322
  565   2HZ   LYS  78          2HZ       LYS  78  -4.898 -21.953  -5.962
  566   3HZ   LYS  78          3HZ       LYS  78  -5.852 -21.062  -4.883
  567    H    ALA  79           H        ALA  79  -0.321 -17.600  -0.887
  568    HA   ALA  79           HA       ALA  79   0.843 -19.941  -1.994
  569   1HB   ALA  79          1HB       ALA  79   2.636 -18.848  -3.279
  570   2HB   ALA  79          2HB       ALA  79   1.860 -17.287  -3.016
  571   3HB   ALA  79          3HB       ALA  79   1.048 -18.522  -3.976
  572    H    ALA  80           H        ALA  80   3.215 -20.072  -1.287
  573    HA   ALA  80           HA       ALA  80   3.355 -18.878   1.385
  574   1HB   ALA  80          1HB       ALA  80   4.969 -21.137   0.209
  575   2HB   ALA  80          2HB       ALA  80   3.543 -21.316   1.231
  576   3HB   ALA  80          3HB       ALA  80   5.013 -20.590   1.885
  577    H    GLY  81           H        GLY  81   4.236 -16.916   1.245
  578   1HA   GLY  81          2HA       GLY  81   7.049 -16.734   0.657
  579   2HA   GLY  81          1HA       GLY  81   6.043 -15.856  -0.489
  580    H    THR  82           H        THR  82   7.862 -14.482   1.069
  581    HA   THR  82           HA       THR  82   6.149 -13.241   3.106
  582    HB   THR  82           HB       THR  82   9.066 -12.608   2.688
  583    HG1  THR  82           1HG      THR  82   8.620 -14.943   3.056
  584   1HG2  THR  82          1HG2      THR  82   7.803 -11.089   4.119
  585   2HG2  THR  82          2HG2      THR  82   8.926 -12.043   5.089
  586   3HG2  THR  82          3HG2      THR  82   7.208 -12.451   5.070
  587    H    HIS  83           H        HIS  83   5.647 -11.074   3.021
  588    HA   HIS  83           HA       HIS  83   5.921  -9.895   0.332
  589   1HB   HIS  83          2HB       HIS  83   3.609 -10.740   1.241
  590   2HB   HIS  83          1HB       HIS  83   3.677  -9.297   2.240
  591    HD1  HIS  83           1HD      HIS  83   4.583  -7.163   0.340
  592    HD2  HIS  83           2HD      HIS  83   1.875 -10.124  -0.731
  593    HE1  HIS  83           1HE      HIS  83   3.255  -6.199  -1.566
  594    HE2  HIS  83           2HE      HIS  83   1.508  -7.942  -2.068
  595    H    ALA  84           H        ALA  84   7.509  -8.392   0.575
  596    HA   ALA  84           HA       ALA  84   7.323  -6.532   2.848
  597   1HB   ALA  84          1HB       ALA  84   9.545  -6.937   0.842
  598   2HB   ALA  84          2HB       ALA  84   9.515  -7.553   2.494
  599   3HB   ALA  84          3HB       ALA  84   9.582  -5.815   2.201
  600    H    VAL  85           H        VAL  85   6.118  -4.793   2.468
  601    HA   VAL  85           HA       VAL  85   5.761  -3.979  -0.343
  602    HB   VAL  85           HB       VAL  85   3.981  -2.994   1.830
  603   1HG1  VAL  85          1HG1      VAL  85   2.301  -3.079   0.063
  604   2HG1  VAL  85          2HG1      VAL  85   3.504  -3.755  -1.038
  605   3HG1  VAL  85          3HG1      VAL  85   3.705  -2.119  -0.407
  606   1HG2  VAL  85          1HG2      VAL  85   3.730  -5.726   0.598
  607   2HG2  VAL  85          2HG2      VAL  85   2.566  -4.960   1.679
  608   3HG2  VAL  85          3HG2      VAL  85   4.172  -5.389   2.273
  609    H    ASN  86           H        ASN  86   7.230  -2.458  -0.772
  610    HA   ASN  86           HA       ASN  86   7.407  -0.129   1.030
  611   1HB   ASN  86          2HB       ASN  86   9.251  -1.064  -1.189
  612   2HB   ASN  86          1HB       ASN  86   9.412   0.484  -0.373
  613   1HD2  ASN  86          1HD2      ASN  86   8.545  -2.569   1.159
  614   2HD2  ASN  86          2HD2      ASN  86   9.980  -2.698   2.114
  615    H    LEU  87           H        LEU  87   5.878   1.245   0.497
  616    HA   LEU  87           HA       LEU  87   5.284   1.687  -2.345
  617   1HB   LEU  87          2HB       LEU  87   3.625   2.240   0.117
  618   2HB   LEU  87          1HB       LEU  87   3.159   2.670  -1.519
  619    HG   LEU  87           HG       LEU  87   3.683  -0.174  -0.649
  620   1HD1  LEU  87          1HD1      LEU  87   1.073   1.319  -0.887
  621   2HD1  LEU  87          2HD1      LEU  87   1.793   0.703   0.603
  622   3HD1  LEU  87          3HD1      LEU  87   1.239  -0.419  -0.642
  623   1HD2  LEU  87          1HD2      LEU  87   2.385   1.026  -3.078
  624   2HD2  LEU  87          2HD2      LEU  87   2.473  -0.697  -2.705
  625   3HD2  LEU  87          3HD2      LEU  87   3.950   0.217  -3.009
  626    H    THR  88           H        THR  88   5.775   3.587  -3.227
  627    HA   THR  88           HA       THR  88   7.055   5.539  -1.454
  628    HB   THR  88           HB       THR  88   7.438   5.363  -4.438
  629    HG1  THR  88           1HG      THR  88   8.118   3.384  -3.907
  630   1HG2  THR  88          1HG2      THR  88   8.301   7.361  -3.301
  631   2HG2  THR  88          2HG2      THR  88   9.626   6.346  -3.875
  632   3HG2  THR  88          3HG2      THR  88   9.186   6.339  -2.167
  633    H    TYR  89           H        TYR  89   6.019   7.303  -1.065
  634    HA   TYR  89           HA       TYR  89   3.766   8.216  -2.629
  635   1HB   TYR  89          2HB       TYR  89   3.876   8.223  -0.100
  636   2HB   TYR  89          1HB       TYR  89   5.090   9.488  -0.214
  637    HD1  TYR  89           1HD      TYR  89   1.547   8.683  -0.852
  638    HD2  TYR  89           2HD      TYR  89   4.462  11.747  -0.574
  639    HE1  TYR  89           1HE      TYR  89  -0.228  10.375  -0.887
  640    HE2  TYR  89           2HE      TYR  89   2.692  13.450  -0.597
  641    HH   TYR  89           HH       TYR  89  -0.362  12.912   0.088
  642    H    MET  90           H        MET  90   4.618   8.901  -4.585
  643    HA   MET  90           HA       MET  90   6.617  11.081  -4.503
  644   1HB   MET  90          2HB       MET  90   6.218   9.121  -6.749
  645   2HB   MET  90          1HB       MET  90   7.472  10.342  -6.618
  646   1HG   MET  90          2HG       MET  90   8.411   9.152  -4.704
  647   2HG   MET  90          1HG       MET  90   7.163   7.919  -4.892
  648   1HE   MET  90          1HE       MET  90   8.030   6.900  -8.702
  649   2HE   MET  90          2HE       MET  90   7.087   8.309  -8.213
  650   3HE   MET  90          3HE       MET  90   6.810   6.748  -7.440
  651    H    ARG  91           H        ARG  91   6.447  12.690  -6.117
  652    HA   ARG  91           HA       ARG  91   3.874  13.279  -7.205
  653   1HB   ARG  91          2HB       ARG  91   6.486  14.550  -7.080
  654   2HB   ARG  91          1HB       ARG  91   5.854  14.601  -8.730
  655   1HG   ARG  91          2HG       ARG  91   3.809  15.671  -7.936
  656   2HG   ARG  91          1HG       ARG  91   4.416  15.602  -6.281
  657   1HD   ARG  91          2HD       ARG  91   5.900  16.994  -8.494
  658   2HD   ARG  91          1HD       ARG  91   4.690  17.810  -7.505
  659    HE   ARG  91           HE       ARG  91   6.322  16.793  -5.648
  660   1HH1  ARG  91          1HH1      ARG  91   7.024  18.603  -8.570
  661   2HH1  ARG  91          2HH1      ARG  91   8.422  19.383  -7.883
  662   1HH2  ARG  91          1HH2      ARG  91   8.153  17.851  -4.756
  663   2HH2  ARG  91          2HH2      ARG  91   9.067  18.948  -5.749
  664    HA   PRO  92           HA       PRO  92   4.306   9.800  -9.984
  665   1HB   PRO  92          2HB       PRO  92   2.133  10.508 -11.598
  666   2HB   PRO  92          1HB       PRO  92   2.076   9.491 -10.156
  667   1HG   PRO  92          2HG       PRO  92   1.503  12.408 -10.448
  668   2HG   PRO  92          1HG       PRO  92   0.675  11.194  -9.452
  669   1HD   PRO  92          2HD       PRO  92   2.360  12.935  -8.353
  670   2HD   PRO  92          1HD       PRO  92   2.339  11.238  -7.816
  671    H    TRP  93           H        TRP  93   4.133  13.110 -11.195
  672    HA   TRP  93           HA       TRP  93   5.076  12.238 -13.814
  673   1HB   TRP  93          2HB       TRP  93   4.763  14.639 -14.457
  674   2HB   TRP  93          1HB       TRP  93   3.297  13.839 -13.897
  675    HD1  TRP  93           HD       TRP  93   5.698  16.646 -13.017
  676    HE1  TRP  93           1HE      TRP  93   4.707  18.026 -11.082
  677    HE3  TRP  93           3HE      TRP  93   1.757  13.633 -11.820
  678    HZ2  TRP  93           2HZ      TRP  93   2.533  17.855  -9.292
  679    HZ3  TRP  93           3HZ      TRP  93   0.271  14.305  -9.983
  680    HH2  TRP  93           HH       TRP  93   0.649  16.372  -8.745
  681    H    THR  94           H        THR  94   6.549  12.775 -11.005
  682    HA   THR  94           HA       THR  94   9.096  13.031 -12.201
  683    HB   THR  94           HB       THR  94   8.812  15.356 -12.383
  684    HG1  THR  94           1HG      THR  94  10.776  15.078 -11.457
  685   1HG2  THR  94          1HG2      THR  94   7.708  15.407  -9.573
  686   2HG2  THR  94          2HG2      THR  94   6.781  15.623 -11.059
  687   3HG2  THR  94          3HG2      THR  94   7.995  16.817 -10.593
  688    H    GLY  95           H        GLY  95   7.973  14.196  -9.034
  689   1HA   GLY  95          2HA       GLY  95   8.127  13.291  -6.929
  690   2HA   GLY  95          1HA       GLY  95   8.373  11.727  -7.702
  691    HA   PRO  96           HA       PRO  96  12.753  14.061  -6.913
  692   1HB   PRO  96          2HB       PRO  96  12.084  15.334  -4.527
  693   2HB   PRO  96          1HB       PRO  96  12.693  16.085  -5.984
  694   1HG   PRO  96          2HG       PRO  96   9.938  15.909  -4.950
  695   2HG   PRO  96          1HG       PRO  96  10.646  17.076  -6.082
  696   1HD   PRO  96          2HD       PRO  96   8.919  15.164  -6.872
  697   2HD   PRO  96          1HD       PRO  96  10.243  15.733  -7.911
  698    H    SER  97           H        SER  97  13.792  12.370  -6.130
  699    HA   SER  97           HA       SER  97  12.541  10.293  -4.789
  700   1HB   SER  97          2HB       SER  97  15.510  10.807  -4.784
  701   2HB   SER  97          1HB       SER  97  14.688   9.250  -4.686
  702    HG   SER  97           HG       SER  97  13.770   9.953  -6.850
  703    H    HIS  98           H        HIS  98  14.537  12.901  -3.460
  704    HA   HIS  98           HA       HIS  98  14.465  11.727  -0.813
  705   1HB   HIS  98          2HB       HIS  98  16.480  12.889  -1.470
  706   2HB   HIS  98          1HB       HIS  98  15.574  14.354  -1.826
  707    HD1  HIS  98           1HD      HIS  98  16.415  12.162   1.176
  708    HD2  HIS  98           2HD      HIS  98  15.436  16.101   0.251
  709    HE1  HIS  98           1HE      HIS  98  16.640  13.449   3.328
  710    HE2  HIS  98           2HE      HIS  98  16.163  15.850   2.722
  711    H    ASP  99           H        ASP  99  12.474  13.820  -2.638
  712    HA   ASP  99           HA       ASP  99  11.378  15.125  -0.255
  713   1HB   ASP  99          2HB       ASP  99  11.894  16.365  -2.430
  714   2HB   ASP  99          1HB       ASP  99  10.513  15.525  -3.123
  715    H    SER 100           H        SER 100  11.008  12.357  -1.968
  716    HA   SER 100           HA       SER 100   8.126  12.119  -1.705
  717   1HB   SER 100          2HB       SER 100  10.181  10.140  -2.727
  718   2HB   SER 100          1HB       SER 100   8.428   9.960  -2.830
  719    HG   SER 100           HG       SER 100  10.013  11.973  -4.064
  720    H    GLU 101           H        GLU 101   7.108  10.651  -0.360
  721    HA   GLU 101           HA       GLU 101   8.720   9.719   1.917
  722   1HB   GLU 101          2HB       GLU 101   6.719  11.148   2.357
  723   2HB   GLU 101          1HB       GLU 101   5.707   9.914   1.620
  724   1HG   GLU 101          2HG       GLU 101   6.329   8.343   3.370
  725   2HG   GLU 101          1HG       GLU 101   7.380   9.555   4.100
  726    H    ARG 102           H        ARG 102   8.079   7.459   2.763
  727    HA   ARG 102           HA       ARG 102   6.946   5.759   0.699
  728   1HB   ARG 102          2HB       ARG 102   9.551   5.981   0.491
  729   2HB   ARG 102          1HB       ARG 102   9.579   4.918   1.890
  730   1HG   ARG 102          2HG       ARG 102   8.357   3.216   0.646
  731   2HG   ARG 102          1HG       ARG 102   8.270   4.285  -0.753
  732   1HD   ARG 102          2HD       ARG 102  10.857   4.339  -0.552
  733   2HD   ARG 102          1HD       ARG 102  10.643   2.878   0.409
  734    HE   ARG 102           HE       ARG 102   9.353   2.895  -2.215
  735   1HH1  ARG 102          1HH1      ARG 102  12.078   1.847  -0.246
  736   2HH1  ARG 102          2HH1      ARG 102  12.686   0.762  -1.465
  737   1HH2  ARG 102          1HH2      ARG 102  10.197   1.487  -3.806
  738   2HH2  ARG 102          2HH2      ARG 102  11.616   0.550  -3.459
  739    H    PHE 103           H        PHE 103   6.023   3.996   1.398
  740    HA   PHE 103           HA       PHE 103   5.739   3.626   4.291
  741   1HB   PHE 103          2HB       PHE 103   3.581   3.899   3.439
  742   2HB   PHE 103          1HB       PHE 103   4.003   3.183   1.889
  743    HD1  PHE 103           1HD      PHE 103   2.866   2.580   5.280
  744    HD2  PHE 103           2HD      PHE 103   3.991   0.786   1.593
  745    HE1  PHE 103           1HE      PHE 103   1.859   0.462   5.999
  746    HE2  PHE 103           2HE      PHE 103   2.984  -1.330   2.308
  747    HZ   PHE 103           HZ       PHE 103   1.918  -1.490   4.512
  748    H    THR 104           H        THR 104   5.759   1.386   5.097
  749    HA   THR 104           HA       THR 104   6.729  -0.655   3.317
  750    HB   THR 104           HB       THR 104   8.501   0.347   5.562
  751    HG1  THR 104           1HG      THR 104   8.369   0.942   2.924
  752   1HG2  THR 104          1HG2      THR 104   8.851  -1.983   3.677
  753   2HG2  THR 104          2HG2      THR 104   8.570  -2.072   5.417
  754   3HG2  THR 104          3HG2      THR 104  10.076  -1.390   4.799
  755    H    VAL 105           H        VAL 105   5.011  -1.980   3.980
  756    HA   VAL 105           HA       VAL 105   5.189  -2.806   6.795
  757    HB   VAL 105           HB       VAL 105   2.899  -2.323   5.992
  758   1HG1  VAL 105          1HG1      VAL 105   1.821  -3.870   4.421
  759   2HG1  VAL 105          2HG1      VAL 105   3.377  -4.652   4.139
  760   3HG1  VAL 105          3HG1      VAL 105   3.135  -2.969   3.667
  761   1HG2  VAL 105          1HG2      VAL 105   3.287  -3.947   7.795
  762   2HG2  VAL 105          2HG2      VAL 105   3.358  -5.241   6.601
  763   3HG2  VAL 105          3HG2      VAL 105   1.859  -4.344   6.843
  764    H    TYR 106           H        TYR 106   5.945  -4.710   7.360
  765    HA   TYR 106           HA       TYR 106   6.794  -6.560   5.247
  766   1HB   TYR 106          2HB       TYR 106   7.644  -6.318   8.133
  767   2HB   TYR 106          1HB       TYR 106   8.178  -7.584   7.043
  768    HD1  TYR 106           1HD      TYR 106   9.562  -6.952   5.036
  769    HD2  TYR 106           2HD      TYR 106   8.686  -4.207   8.165
  770    HE1  TYR 106           1HE      TYR 106  11.405  -5.511   4.280
  771    HE2  TYR 106           2HE      TYR 106  10.525  -2.761   7.419
  772    HH   TYR 106           HH       TYR 106  12.570  -2.889   6.155
  773    H    LEU 107           H        LEU 107   5.251  -8.002   4.866
  774    HA   LEU 107           HA       LEU 107   3.964  -9.269   7.187
  775   1HB   LEU 107          2HB       LEU 107   1.855  -9.267   6.064
  776   2HB   LEU 107          1HB       LEU 107   2.472  -7.631   6.028
  777    HG   LEU 107           HG       LEU 107   3.399  -8.689   3.651
  778   1HD1  LEU 107          1HD1      LEU 107   1.451  -9.679   2.574
  779   2HD1  LEU 107          2HD1      LEU 107   0.583  -9.652   4.108
  780   3HD1  LEU 107          3HD1      LEU 107   2.011 -10.669   3.921
  781   1HD2  LEU 107          1HD2      LEU 107   2.518  -6.453   3.984
  782   2HD2  LEU 107          2HD2      LEU 107   0.890  -7.106   4.170
  783   3HD2  LEU 107          3HD2      LEU 107   1.722  -7.243   2.622
  784    H    LYS 108           H        LYS 108   3.387 -11.505   6.834
  785    HA   LYS 108           HA       LYS 108   4.962 -12.692   4.644
  786   1HB   LYS 108          2HB       LYS 108   5.439 -13.365   7.055
  787   2HB   LYS 108          1HB       LYS 108   3.869 -14.153   7.043
  788   1HG   LYS 108          2HG       LYS 108   4.684 -15.410   4.992
  789   2HG   LYS 108          1HG       LYS 108   6.292 -14.821   5.409
  790   1HD   LYS 108          2HD       LYS 108   4.503 -16.508   7.155
  791   2HD   LYS 108          1HD       LYS 108   5.953 -17.049   6.311
  792   1HE   LYS 108          2HE       LYS 108   5.853 -14.966   8.492
  793   2HE   LYS 108          1HE       LYS 108   6.370 -16.640   8.691
  794   1HZ   LYS 108          1HZ       LYS 108   7.696 -14.547   7.050
  795   2HZ   LYS 108          2HZ       LYS 108   8.151 -16.179   7.052
  796   3HZ   LYS 108          3HZ       LYS 108   8.290 -15.259   8.472
  797    H    ALA 109           H        ALA 109   3.856 -13.469   2.964
  798    HA   ALA 109           HA       ALA 109   0.944 -13.658   3.254
  799   1HB   ALA 109          1HB       ALA 109   0.827 -13.291   0.851
  800   2HB   ALA 109          2HB       ALA 109   2.586 -13.316   0.748
  801   3HB   ALA 109          3HB       ALA 109   1.773 -12.017   1.617
  802    H    ASN 110           H        ASN 110   0.162 -15.611   3.452
  803    HA   ASN 110           HA       ASN 110   0.772 -17.851   1.924
  804   1HB   ASN 110          2HB       ASN 110   2.165 -19.206   3.404
  805   2HB   ASN 110          1HB       ASN 110   3.022 -17.734   2.972
  806   1HD2  ASN 110          1HD2      ASN 110   1.640 -16.021   4.811
  807   2HD2  ASN 110          2HD2      ASN 110   2.196 -16.434   6.392
  Start of MODEL    8
    1    H    HIS   3           H        HIS   3  -6.362  -9.751   4.080
    2    HA   HIS   3           HA       HIS   3  -5.611  -8.959   6.735
    3   1HB   HIS   3          2HB       HIS   3  -3.721 -10.456   6.338
    4   2HB   HIS   3          1HB       HIS   3  -3.519  -9.790   4.715
    5    HD1  HIS   3           1HD      HIS   3  -3.376  -8.491   8.296
    6    HD2  HIS   3           2HD      HIS   3  -1.579  -7.973   4.573
    7    HE1  HIS   3           1HE      HIS   3  -1.651  -6.690   8.625
    8    HE2  HIS   3           2HE      HIS   3  -0.722  -6.253   6.325
    9    H    LYS   4           H        LYS   4  -4.996  -6.751   6.784
   10    HA   LYS   4           HA       LYS   4  -4.896  -5.362   4.209
   11   1HB   LYS   4          2HB       LYS   4  -6.437  -3.619   5.101
   12   2HB   LYS   4          1HB       LYS   4  -7.197  -5.189   4.863
   13   1HG   LYS   4          2HG       LYS   4  -7.074  -5.646   7.237
   14   2HG   LYS   4          1HG       LYS   4  -6.225  -4.125   7.507
   15   1HD   LYS   4          2HD       LYS   4  -8.999  -4.344   6.349
   16   2HD   LYS   4          1HD       LYS   4  -8.658  -4.045   8.052
   17   1HE   LYS   4          2HE       LYS   4  -7.437  -1.999   7.424
   18   2HE   LYS   4          1HE       LYS   4  -7.843  -2.295   5.734
   19   1HZ   LYS   4          1HZ       LYS   4  -9.330  -0.686   6.822
   20   2HZ   LYS   4          2HZ       LYS   4  -9.839  -1.893   7.898
   21   3HZ   LYS   4          3HZ       LYS   4 -10.161  -2.045   6.239
   22    H    VAL   5           H        VAL   5  -3.467  -3.673   4.167
   23    HA   VAL   5           HA       VAL   5  -2.304  -2.938   6.763
   24    HB   VAL   5           HB       VAL   5  -1.083  -2.998   4.034
   25   1HG1  VAL   5          1HG1      VAL   5  -0.367  -0.988   6.150
   26   2HG1  VAL   5          2HG1      VAL   5  -0.844  -0.667   4.485
   27   3HG1  VAL   5          3HG1      VAL   5   0.700  -1.451   4.825
   28   1HG2  VAL   5          1HG2      VAL   5   0.009  -3.432   6.809
   29   2HG2  VAL   5          2HG2      VAL   5   0.805  -3.823   5.283
   30   3HG2  VAL   5          3HG2      VAL   5  -0.648  -4.703   5.770
   31    H    THR   6           H        THR   6  -2.686  -1.059   7.608
   32    HA   THR   6           HA       THR   6  -3.567   1.167   5.930
   33    HB   THR   6           HB       THR   6  -4.214   2.098   8.272
   34    HG1  THR   6           1HG      THR   6  -4.672   0.387   9.758
   35   1HG2  THR   6          1HG2      THR   6  -6.385   0.859   8.123
   36   2HG2  THR   6          2HG2      THR   6  -5.649  -0.173   6.892
   37   3HG2  THR   6          3HG2      THR   6  -5.847   1.554   6.593
   38    H    LYS   7           H        LYS   7  -2.859   3.355   6.970
   39    HA   LYS   7           HA       LYS   7  -0.260   3.811   6.360
   40   1HB   LYS   7          2HB       LYS   7  -1.910   5.572   6.726
   41   2HB   LYS   7          1HB       LYS   7  -1.811   5.309   8.463
   42   1HG   LYS   7          2HG       LYS   7  -0.493   7.252   7.604
   43   2HG   LYS   7          1HG       LYS   7   0.433   6.077   8.540
   44   1HD   LYS   7          2HD       LYS   7   1.224   5.052   6.465
   45   2HD   LYS   7          1HD       LYS   7   0.319   6.234   5.525
   46   1HE   LYS   7          2HE       LYS   7   2.669   6.709   7.358
   47   2HE   LYS   7          1HE       LYS   7   2.610   6.940   5.613
   48   1HZ   LYS   7          1HZ       LYS   7   1.062   8.770   5.946
   49   2HZ   LYS   7          2HZ       LYS   7   2.495   9.037   6.799
   50   3HZ   LYS   7          3HZ       LYS   7   1.103   8.535   7.625
   51    H    ALA   8           H        ALA   8  -1.378   2.906   9.643
   52    HA   ALA   8           HA       ALA   8   0.953   3.477  11.053
   53   1HB   ALA   8          1HB       ALA   8   0.191   1.873  12.708
   54   2HB   ALA   8          2HB       ALA   8  -0.920   1.166  11.536
   55   3HB   ALA   8          3HB       ALA   8  -1.166   2.820  12.099
   56    H    HIS   9           H        HIS   9   0.213   0.759   8.997
   57    HA   HIS   9           HA       HIS   9   2.347  -0.919   9.822
   58   1HB   HIS   9          2HB       HIS   9   0.732  -0.868   7.289
   59   2HB   HIS   9          1HB       HIS   9   1.950  -2.086   7.641
   60    HD1  HIS   9           1HD      HIS   9  -1.528  -1.272   8.139
   61    HD2  HIS   9           2HD      HIS   9   1.260  -3.709   9.987
   62    HE1  HIS   9           1HE      HIS   9  -2.867  -3.033   9.322
   63    HE2  HIS   9           2HE      HIS   9  -1.157  -4.259  10.730
   64    H    ASN  10           H        ASN  10   2.430   1.996   8.261
   65    HA   ASN  10           HA       ASN  10   4.466   1.909   6.415
   66   1HB   ASN  10          2HB       ASN  10   3.366   4.006   7.025
   67   2HB   ASN  10          1HB       ASN  10   4.028   3.902   8.660
   68   1HD2  ASN  10          1HD2      ASN  10   4.625   4.771   5.384
   69   2HD2  ASN  10          2HD2      ASN  10   6.179   5.490   5.637
   70    H    GLY  11           H        GLY  11   4.520   0.997   9.711
   71   1HA   GLY  11          2HA       GLY  11   7.364   0.283   9.423
   72   2HA   GLY  11          1HA       GLY  11   6.839   1.099  10.890
   73    H    ALA  12           H        ALA  12   5.631  -1.614   8.882
   74    HA   ALA  12           HA       ALA  12   4.992  -3.024  11.394
   75   1HB   ALA  12          1HB       ALA  12   3.976  -3.830   8.704
   76   2HB   ALA  12          2HB       ALA  12   3.240  -2.493   9.595
   77   3HB   ALA  12          3HB       ALA  12   3.267  -4.114  10.297
   78    H    THR  13           H        THR  13   5.353  -5.244  11.638
   79    HA   THR  13           HA       THR  13   6.601  -6.771   9.505
   80    HB   THR  13           HB       THR  13   7.917  -6.670  12.234
   81    HG1  THR  13           1HG      THR  13   8.207  -5.016  10.144
   82   1HG2  THR  13          1HG2      THR  13   8.085  -8.835  11.087
   83   2HG2  THR  13          2HG2      THR  13   9.654  -8.032  11.184
   84   3HG2  THR  13          3HG2      THR  13   8.751  -8.029   9.668
   85    H    LEU  14           H        LEU  14   4.996  -8.311   9.415
   86    HA   LEU  14           HA       LEU  14   4.547 -10.064  11.631
   87   1HB   LEU  14          2HB       LEU  14   2.218  -9.642  12.025
   88   2HB   LEU  14          1HB       LEU  14   3.134  -8.178  12.314
   89    HG   LEU  14           HG       LEU  14   1.704  -8.646   9.711
   90   1HD1  LEU  14          1HD1      LEU  14   0.061  -8.845  11.510
   91   2HD1  LEU  14          2HD1      LEU  14  -0.154  -7.345  10.608
   92   3HD1  LEU  14          3HD1      LEU  14   0.620  -7.320  12.193
   93   1HD2  LEU  14          1HD2      LEU  14   1.850  -6.264   9.516
   94   2HD2  LEU  14          2HD2      LEU  14   3.456  -6.905   9.873
   95   3HD2  LEU  14          3HD2      LEU  14   2.514  -6.127  11.145
   96    H    THR  15           H        THR  15   2.693 -11.636  11.124
   97    HA   THR  15           HA       THR  15   3.024 -12.444   8.326
   98    HB   THR  15           HB       THR  15   2.072 -14.051  10.709
   99    HG1  THR  15           1HG      THR  15   4.093 -14.684  10.936
  100   1HG2  THR  15          1HG2      THR  15   1.126 -14.763   8.521
  101   2HG2  THR  15          2HG2      THR  15   2.169 -15.982   9.268
  102   3HG2  THR  15          3HG2      THR  15   2.775 -15.001   7.930
  103    H    VAL  16           H        VAL  16   1.308 -12.982   7.042
  104    HA   VAL  16           HA       VAL  16  -1.381 -12.279   8.027
  105    HB   VAL  16           HB       VAL  16  -1.926 -11.367   5.913
  106   1HG1  VAL  16          1HG1      VAL  16  -0.539  -9.902   7.268
  107   2HG1  VAL  16          2HG1      VAL  16  -0.196  -9.657   5.554
  108   3HG1  VAL  16          3HG1      VAL  16   0.918 -10.591   6.552
  109   1HG2  VAL  16          1HG2      VAL  16   0.667 -12.464   4.865
  110   2HG2  VAL  16          2HG2      VAL  16  -0.469 -11.461   3.960
  111   3HG2  VAL  16          3HG2      VAL  16  -0.947 -13.075   4.492
  112    H    ALA  17           H        ALA  17  -3.124 -13.578   7.296
  113    HA   ALA  17           HA       ALA  17  -2.366 -16.154   6.105
  114   1HB   ALA  17          1HB       ALA  17  -3.580 -16.334   8.190
  115   2HB   ALA  17          2HB       ALA  17  -4.610 -16.887   6.867
  116   3HB   ALA  17          3HB       ALA  17  -4.855 -15.286   7.571
  117    H    VAL  18           H        VAL  18  -2.530 -16.125   3.943
  118    HA   VAL  18           HA       VAL  18  -4.298 -14.192   2.678
  119    HB   VAL  18           HB       VAL  18  -3.247 -14.844   0.573
  120   1HG1  VAL  18          1HG1      VAL  18  -1.343 -14.268   2.834
  121   2HG1  VAL  18          2HG1      VAL  18  -2.190 -13.097   1.822
  122   3HG1  VAL  18          3HG1      VAL  18  -0.936 -14.129   1.121
  123   1HG2  VAL  18          1HG2      VAL  18  -2.886 -17.214   1.025
  124   2HG2  VAL  18          2HG2      VAL  18  -1.672 -16.806   2.237
  125   3HG2  VAL  18          3HG2      VAL  18  -1.382 -16.431   0.536
  126    H    GLY  19           H        GLY  19  -4.925 -15.357   0.309
  127   1HA   GLY  19          2HA       GLY  19  -6.044 -17.382  -0.512
  128   2HA   GLY  19          1HA       GLY  19  -6.721 -17.568   1.104
  129    H    GLU  20           H        GLU  20  -7.633 -15.159   1.738
  130    HA   GLU  20           HA       GLU  20  -9.893 -14.794  -0.013
  131   1HB   GLU  20          2HB       GLU  20  -9.051 -13.376   2.526
  132   2HB   GLU  20          1HB       GLU  20 -10.571 -13.101   1.687
  133   1HG   GLU  20          2HG       GLU  20  -9.784 -15.822   2.656
  134   2HG   GLU  20          1HG       GLU  20 -10.581 -14.654   3.711
  135    H    LEU  21           H        LEU  21  -7.893 -12.326   1.511
  136    HA   LEU  21           HA       LEU  21  -6.959 -11.164  -0.904
  137   1HB   LEU  21          2HB       LEU  21  -9.216 -10.405  -1.175
  138   2HB   LEU  21          1HB       LEU  21  -9.306  -9.900   0.499
  139    HG   LEU  21           HG       LEU  21  -7.673  -8.107   0.033
  140   1HD1  LEU  21          1HD1      LEU  21  -6.503  -9.173  -1.830
  141   2HD1  LEU  21          2HD1      LEU  21  -7.082  -7.564  -2.260
  142   3HD1  LEU  21          3HD1      LEU  21  -7.940  -8.995  -2.834
  143   1HD2  LEU  21          1HD2      LEU  21 -10.066  -7.662  -0.082
  144   2HD2  LEU  21          2HD2      LEU  21 -10.076  -8.116  -1.786
  145   3HD2  LEU  21          3HD2      LEU  21  -9.179  -6.691  -1.257
  146    H    VAL  22           H        VAL  22  -5.046 -10.351  -0.330
  147    HA   VAL  22           HA       VAL  22  -4.836  -9.193   2.369
  148    HB   VAL  22           HB       VAL  22  -2.844 -10.787   0.774
  149   1HG1  VAL  22          1HG1      VAL  22  -2.162  -8.846   2.992
  150   2HG1  VAL  22          2HG1      VAL  22  -1.643  -8.717   1.312
  151   3HG1  VAL  22          3HG1      VAL  22  -1.067 -10.051   2.315
  152   1HG2  VAL  22          1HG2      VAL  22  -2.546 -11.812   3.011
  153   2HG2  VAL  22          2HG2      VAL  22  -4.197 -11.921   2.395
  154   3HG2  VAL  22          3HG2      VAL  22  -3.792 -10.721   3.626
  155    H    GLU  23           H        GLU  23  -5.040  -7.093   2.241
  156    HA   GLU  23           HA       GLU  23  -3.975  -5.790  -0.168
  157   1HB   GLU  23          2HB       GLU  23  -5.577  -4.057   0.055
  158   2HB   GLU  23          1HB       GLU  23  -6.424  -5.588   0.186
  159   1HG   GLU  23          2HG       GLU  23  -6.659  -5.339   2.547
  160   2HG   GLU  23          1HG       GLU  23  -5.616  -3.917   2.548
  161    H    ILE  24           H        ILE  24  -3.235  -3.665  -0.007
  162    HA   ILE  24           HA       ILE  24  -2.007  -2.907   2.561
  163    HB   ILE  24           HB       ILE  24  -0.730  -2.605  -0.166
  164   1HG1  ILE  24          2HG1      ILE  24  -0.911  -5.001   0.577
  165   2HG1  ILE  24          1HG1      ILE  24   0.744  -4.445   0.328
  166   1HG2  ILE  24          1HG2      ILE  24  -0.033  -0.924   1.421
  167   2HG2  ILE  24          2HG2      ILE  24   1.290  -2.049   1.118
  168   3HG2  ILE  24          3HG2      ILE  24   0.354  -2.170   2.607
  169   1HD1  ILE  24          1HD1      ILE  24  -0.654  -4.627   3.004
  170   2HD1  ILE  24          2HD1      ILE  24   1.033  -4.195   2.723
  171   3HD1  ILE  24          3HD1      ILE  24   0.468  -5.824   2.354
  172    H    GLN  25           H        GLN  25  -3.285  -1.138   3.027
  173    HA   GLN  25           HA       GLN  25  -4.021   0.625   0.790
  174   1HB   GLN  25          2HB       GLN  25  -5.965  -0.273   1.752
  175   2HB   GLN  25          1HB       GLN  25  -5.359  -0.032   3.391
  176   1HG   GLN  25          2HG       GLN  25  -5.590   2.427   1.877
  177   2HG   GLN  25          1HG       GLN  25  -7.120   1.572   2.034
  178   1HE2  GLN  25          1HE2      GLN  25  -4.553   3.171   3.782
  179   2HE2  GLN  25          2HE2      GLN  25  -5.410   3.332   5.274
  180    H    LEU  26           H        LEU  26  -3.628   2.776   0.898
  181    HA   LEU  26           HA       LEU  26  -2.563   3.748   3.416
  182   1HB   LEU  26          2HB       LEU  26  -1.469   4.106   0.682
  183   2HB   LEU  26          1HB       LEU  26  -1.214   5.358   1.893
  184    HG   LEU  26           HG       LEU  26  -0.654   2.599   2.750
  185   1HD1  LEU  26          1HD1      LEU  26   1.561   2.595   1.719
  186   2HD1  LEU  26          2HD1      LEU  26   1.134   4.052   0.817
  187   3HD1  LEU  26          3HD1      LEU  26   0.268   2.540   0.519
  188   1HD2  LEU  26          1HD2      LEU  26   0.784   5.215   3.089
  189   2HD2  LEU  26          2HD2      LEU  26   1.187   3.695   3.893
  190   3HD2  LEU  26          3HD2      LEU  26  -0.354   4.490   4.227
  191    HA   PRO  27           HA       PRO  27  -5.791   6.658   3.107
  192   1HB   PRO  27          2HB       PRO  27  -4.991   8.461   4.930
  193   2HB   PRO  27          1HB       PRO  27  -5.479   6.826   5.399
  194   1HG   PRO  27          2HG       PRO  27  -2.719   7.955   5.040
  195   2HG   PRO  27          1HG       PRO  27  -3.348   6.886   6.316
  196   1HD   PRO  27          2HD       PRO  27  -1.899   6.006   4.177
  197   2HD   PRO  27          1HD       PRO  27  -3.072   5.006   5.052
  198    H    SER  28           H        SER  28  -2.952   7.083   1.699
  199    HA   SER  28           HA       SER  28  -1.941   8.570   0.365
  200   1HB   SER  28          2HB       SER  28  -4.283   8.957  -0.537
  201   2HB   SER  28          1HB       SER  28  -4.395  10.314   0.584
  202    HG   SER  28           HG       SER  28  -2.605   9.968  -1.590
  203    H    ASN  29           H        ASN  29  -3.777  10.265   2.836
  204    HA   ASN  29           HA       ASN  29  -3.299  12.082   4.142
  205   1HB   ASN  29          2HB       ASN  29  -0.373  11.423   4.061
  206   2HB   ASN  29          1HB       ASN  29  -1.341  11.990   5.406
  207   1HD2  ASN  29          1HD2      ASN  29  -0.093   9.272   3.764
  208   2HD2  ASN  29          2HD2      ASN  29  -0.717   8.059   4.834
  209    HA   PRO  30           HA       PRO  30  -1.875  13.389  -0.149
  210   1HB   PRO  30          2HB       PRO  30  -4.012  15.435   0.224
  211   2HB   PRO  30          1HB       PRO  30  -3.660  14.407  -1.173
  212   1HG   PRO  30          2HG       PRO  30  -5.709  13.812   0.375
  213   2HG   PRO  30          1HG       PRO  30  -4.628  12.513  -0.174
  214   1HD   PRO  30          2HD       PRO  30  -4.708  13.907   2.474
  215   2HD   PRO  30          1HD       PRO  30  -4.576  12.169   2.125
  216    H    THR  31           H        THR  31  -0.008  14.263   0.052
  217    HA   THR  31           HA       THR  31   0.207  16.997   1.082
  218    HB   THR  31           HB       THR  31   0.978  15.632   2.878
  219    HG1  THR  31           1HG      THR  31   2.360  17.335   2.598
  220   1HG2  THR  31          1HG2      THR  31   2.747  14.176   0.909
  221   2HG2  THR  31          2HG2      THR  31   1.274  13.529   1.633
  222   3HG2  THR  31          3HG2      THR  31   2.674  13.894   2.649
  223    H    THR  32           H        THR  32   0.577  18.073  -0.753
  224    HA   THR  32           HA       THR  32   1.747  18.930  -2.502
  225    HB   THR  32           HB       THR  32   3.869  16.823  -2.057
  226    HG1  THR  32           1HG      THR  32   4.407  17.784  -0.230
  227   1HG2  THR  32          1HG2      THR  32   4.413  18.122  -3.951
  228   2HG2  THR  32          2HG2      THR  32   5.340  18.832  -2.633
  229   3HG2  THR  32          3HG2      THR  32   3.860  19.612  -3.190
  230    H    GLY  33           H        GLY  33   2.906  17.899  -4.732
  231   1HA   GLY  33          2HA       GLY  33   0.794  16.645  -6.060
  232   2HA   GLY  33          1HA       GLY  33   2.418  16.807  -6.680
  233    H    PHE  34           H        PHE  34   3.197  15.197  -4.137
  234    HA   PHE  34           HA       PHE  34   3.540  12.749  -5.413
  235   1HB   PHE  34          2HB       PHE  34   3.535  12.948  -2.433
  236   2HB   PHE  34          1HB       PHE  34   4.622  12.056  -3.493
  237    HD1  PHE  34           1HD      PHE  34   4.811  14.359  -1.168
  238    HD2  PHE  34           2HD      PHE  34   5.569  14.082  -5.342
  239    HE1  PHE  34           1HE      PHE  34   6.429  16.199  -0.995
  240    HE2  PHE  34           2HE      PHE  34   7.189  15.916  -5.177
  241    HZ   PHE  34           HZ       PHE  34   7.627  16.977  -2.998
  242    H    ALA  35           H        ALA  35   2.725  10.693  -4.956
  243    HA   ALA  35           HA       ALA  35   0.357  10.382  -3.288
  244   1HB   ALA  35          1HB       ALA  35  -0.520  10.923  -5.548
  245   2HB   ALA  35          2HB       ALA  35  -0.916   9.276  -5.059
  246   3HB   ALA  35          3HB       ALA  35   0.391   9.563  -6.210
  247    H    TRP  36           H        TRP  36  -0.113   7.979  -2.987
  248    HA   TRP  36           HA       TRP  36   2.436   6.669  -2.648
  249   1HB   TRP  36          2HB       TRP  36  -0.324   5.624  -1.963
  250   2HB   TRP  36          1HB       TRP  36   1.203   4.833  -1.585
  251    HD1  TRP  36           HD       TRP  36  -1.120   7.543  -0.338
  252    HE1  TRP  36           1HE      TRP  36  -0.281   8.333   1.953
  253    HE3  TRP  36           3HE      TRP  36   3.428   5.240  -0.314
  254    HZ2  TRP  36           2HZ      TRP  36   1.991   7.998   3.584
  255    HZ3  TRP  36           3HZ      TRP  36   4.894   5.517   1.635
  256    HH2  TRP  36           HH       TRP  36   4.189   6.881   3.555
  257    H    TYR  37           H        TYR  37   3.368   5.616  -4.194
  258    HA   TYR  37           HA       TYR  37   1.792   3.599  -5.655
  259   1HB   TYR  37          2HB       TYR  37   4.137   5.255  -6.593
  260   2HB   TYR  37          1HB       TYR  37   3.697   3.738  -7.367
  261    HD1  TYR  37           1HD      TYR  37   2.721   7.200  -6.753
  262    HD2  TYR  37           2HD      TYR  37   1.733   3.581  -8.760
  263    HE1  TYR  37           1HE      TYR  37   1.085   8.421  -8.144
  264    HE2  TYR  37           2HE      TYR  37   0.103   4.778 -10.154
  265    HH   TYR  37           HH       TYR  37  -0.059   8.182 -10.299
  266    H    PHE  38           H        PHE  38   3.558   1.795  -6.406
  267    HA   PHE  38           HA       PHE  38   5.108   1.041  -4.133
  268   1HB   PHE  38          2HB       PHE  38   4.591  -0.042  -6.800
  269   2HB   PHE  38          1HB       PHE  38   6.244  -0.276  -6.245
  270    HD1  PHE  38           1HD      PHE  38   2.832  -1.351  -5.975
  271    HD2  PHE  38           2HD      PHE  38   6.630  -1.466  -4.057
  272    HE1  PHE  38           1HE      PHE  38   2.093  -3.280  -4.640
  273    HE2  PHE  38           2HE      PHE  38   5.897  -3.398  -2.718
  274    HZ   PHE  38           HZ       PHE  38   3.622  -4.284  -2.979
  275    H    GLU  39           H        GLU  39   6.372   1.475  -7.400
  276    HA   GLU  39           HA       GLU  39   8.566   3.075  -6.262
  277   1HB   GLU  39          2HB       GLU  39   8.557   1.306  -8.715
  278   2HB   GLU  39          1HB       GLU  39   9.923   2.261  -8.156
  279   1HG   GLU  39          2HG       GLU  39   8.617   0.014  -6.642
  280   2HG   GLU  39          1HG       GLU  39  10.131  -0.089  -7.539
  281    H    GLY  40           H        GLY  40   5.800   3.613  -7.666
  282   1HA   GLY  40          2HA       GLY  40   5.189   5.739  -8.527
  283   2HA   GLY  40          1HA       GLY  40   6.823   5.928  -9.143
  284    H    GLY  41           H        GLY  41   3.640   5.118  -9.897
  285   1HA   GLY  41          2HA       GLY  41   2.674   4.632 -11.939
  286   2HA   GLY  41          1HA       GLY  41   4.276   4.672 -12.659
  287    H    THR  42           H        THR  42   4.619   2.641 -10.172
  288    HA   THR  42           HA       THR  42   3.787   0.268 -11.690
  289    HB   THR  42           HB       THR  42   5.883  -0.723 -10.409
  290    HG1  THR  42           1HG      THR  42   7.403   1.356 -11.047
  291   1HG2  THR  42          1HG2      THR  42   7.206  -0.409 -12.468
  292   2HG2  THR  42          2HG2      THR  42   6.041   0.796 -13.019
  293   3HG2  THR  42          3HG2      THR  42   5.542  -0.882 -12.806
  294    H    LYS  43           H        LYS  43   2.869  -1.333 -10.561
  295    HA   LYS  43           HA       LYS  43   3.618  -1.594  -7.772
  296   1HB   LYS  43          2HB       LYS  43   1.209  -2.385  -7.343
  297   2HB   LYS  43          1HB       LYS  43   1.561  -0.672  -7.326
  298   1HG   LYS  43          2HG       LYS  43  -0.482  -0.931  -8.461
  299   2HG   LYS  43          1HG       LYS  43   0.724  -0.596  -9.700
  300   1HD   LYS  43          2HD       LYS  43   0.844  -2.987 -10.222
  301   2HD   LYS  43          1HD       LYS  43  -0.362  -3.319  -8.978
  302   1HE   LYS  43          2HE       LYS  43  -2.039  -2.127 -10.178
  303   2HE   LYS  43          1HE       LYS  43  -0.855  -1.489 -11.319
  304   1HZ   LYS  43          1HZ       LYS  43  -1.416  -4.389 -11.031
  305   2HZ   LYS  43          2HZ       LYS  43  -0.558  -3.615 -12.270
  306   3HZ   LYS  43          3HZ       LYS  43  -2.235  -3.397 -12.134
  307    H    GLU  44           H        GLU  44   4.178  -3.607  -7.236
  308    HA   GLU  44           HA       GLU  44   3.184  -5.808  -8.901
  309   1HB   GLU  44          2HB       GLU  44   5.414  -6.885  -8.781
  310   2HB   GLU  44          1HB       GLU  44   5.412  -5.394  -9.705
  311   1HG   GLU  44          2HG       GLU  44   6.178  -5.339  -6.824
  312   2HG   GLU  44          1HG       GLU  44   7.328  -5.920  -8.026
  313    H    SER  45           H        SER  45   3.122  -7.848  -7.905
  314    HA   SER  45           HA       SER  45   3.056  -7.741  -4.953
  315   1HB   SER  45          2HB       SER  45   0.937  -8.410  -5.985
  316   2HB   SER  45          1HB       SER  45   1.751  -9.671  -6.911
  317    HG   SER  45           HG       SER  45   1.104 -10.801  -5.226
  318    HA   PRO  46           HA       PRO  46   6.913  -9.953  -4.837
  319   1HB   PRO  46          2HB       PRO  46   5.651 -11.173  -2.421
  320   2HB   PRO  46          1HB       PRO  46   7.241 -10.420  -2.604
  321   1HG   PRO  46          2HG       PRO  46   5.271  -9.107  -1.410
  322   2HG   PRO  46          1HG       PRO  46   6.375  -8.266  -2.515
  323   1HD   PRO  46          2HD       PRO  46   3.559  -9.156  -2.960
  324   2HD   PRO  46          1HD       PRO  46   4.391  -7.704  -3.546
  325    H    ASN  47           H        ASN  47   3.837 -11.603  -4.610
  326    HA   ASN  47           HA       ASN  47   4.980 -13.832  -6.112
  327   1HB   ASN  47          2HB       ASN  47   3.560 -14.039  -3.487
  328   2HB   ASN  47          1HB       ASN  47   3.280 -15.290  -4.693
  329   1HD2  ASN  47          1HD2      ASN  47   4.608 -15.385  -2.068
  330   2HD2  ASN  47          2HD2      ASN  47   6.191 -16.015  -2.370
  331    H    GLU  48           H        GLU  48   3.959 -12.733  -7.875
  332    HA   GLU  48           HA       GLU  48   1.034 -13.076  -7.885
  333   1HB   GLU  48          2HB       GLU  48   0.929 -11.241  -9.535
  334   2HB   GLU  48          1HB       GLU  48   1.593 -10.724  -7.991
  335   1HG   GLU  48          2HG       GLU  48   3.805 -10.684  -8.872
  336   2HG   GLU  48          1HG       GLU  48   3.276 -11.431 -10.380
  337    H    SER  49           H        SER  49   2.124 -15.297  -8.431
  338    HA   SER  49           HA       SER  49   2.858 -15.618 -11.192
  339   1HB   SER  49          2HB       SER  49   2.613 -18.126 -10.436
  340   2HB   SER  49          1HB       SER  49   3.958 -17.149  -9.843
  341    HG   SER  49           HG       SER  49   2.442 -18.442  -8.320
  342    H    MET  50           H        MET  50   0.180 -16.934  -9.224
  343    HA   MET  50           HA       MET  50  -1.421 -17.110 -11.677
  344   1HB   MET  50          2HB       MET  50  -2.764 -18.800 -10.611
  345   2HB   MET  50          1HB       MET  50  -1.074 -19.244 -10.563
  346   1HG   MET  50          2HG       MET  50  -2.660 -18.101  -8.260
  347   2HG   MET  50          1HG       MET  50  -2.240 -19.800  -8.488
  348   1HE   MET  50          1HE       MET  50  -1.620 -18.331  -5.771
  349   2HE   MET  50          2HE       MET  50   0.026 -18.893  -5.470
  350   3HE   MET  50          3HE       MET  50  -1.182 -20.004  -6.120
  351    H    PHE  51           H        PHE  51  -1.228 -15.890  -8.478
  352    HA   PHE  51           HA       PHE  51  -3.788 -14.518  -8.805
  353   1HB   PHE  51          2HB       PHE  51  -2.281 -15.549  -6.468
  354   2HB   PHE  51          1HB       PHE  51  -3.148 -14.031  -6.222
  355    HD1  PHE  51           1HD      PHE  51  -3.683 -17.418  -7.694
  356    HD2  PHE  51           2HD      PHE  51  -5.353 -14.137  -5.559
  357    HE1  PHE  51           1HE      PHE  51  -5.794 -18.651  -7.460
  358    HE2  PHE  51           2HE      PHE  51  -7.466 -15.372  -5.319
  359    HZ   PHE  51           HZ       PHE  51  -7.691 -17.627  -6.276
  360    H    THR  52           H        THR  52  -3.662 -12.174  -7.715
  361    HA   THR  52           HA       THR  52  -1.245 -10.883  -8.643
  362    HB   THR  52           HB       THR  52  -2.411 -11.572 -10.721
  363    HG1  THR  52           1HG      THR  52  -1.187  -9.864 -11.167
  364   1HG2  THR  52          1HG2      THR  52  -4.430 -10.343 -11.408
  365   2HG2  THR  52          2HG2      THR  52  -4.523  -9.615  -9.804
  366   3HG2  THR  52          3HG2      THR  52  -4.720 -11.358  -9.994
  367    H    VAL  53           H        VAL  53  -1.567  -8.459  -8.817
  368    HA   VAL  53           HA       VAL  53  -3.031  -7.652  -6.412
  369    HB   VAL  53           HB       VAL  53  -0.664  -7.325  -6.169
  370   1HG1  VAL  53          1HG1      VAL  53  -0.773  -5.718  -8.716
  371   2HG1  VAL  53          2HG1      VAL  53  -0.004  -7.290  -8.500
  372   3HG1  VAL  53          3HG1      VAL  53   0.633  -5.875  -7.661
  373   1HG2  VAL  53          1HG2      VAL  53  -2.020  -4.682  -6.697
  374   2HG2  VAL  53          2HG2      VAL  53  -0.542  -4.906  -5.763
  375   3HG2  VAL  53          3HG2      VAL  53  -2.061  -5.595  -5.188
  376    H    GLU  54           H        GLU  54  -4.526  -6.161  -6.462
  377    HA   GLU  54           HA       GLU  54  -5.154  -4.775  -8.980
  378   1HB   GLU  54          2HB       GLU  54  -6.952  -6.145  -8.034
  379   2HB   GLU  54          1HB       GLU  54  -6.790  -5.308  -6.502
  380   1HG   GLU  54          2HG       GLU  54  -7.498  -3.226  -7.552
  381   2HG   GLU  54          1HG       GLU  54  -7.713  -4.084  -9.084
  382    H    ASN  55           H        ASN  55  -5.739  -2.562  -8.844
  383    HA   ASN  55           HA       ASN  55  -4.610  -1.177  -6.512
  384   1HB   ASN  55          2HB       ASN  55  -3.785   0.588  -7.999
  385   2HB   ASN  55          1HB       ASN  55  -3.032  -0.966  -8.347
  386   1HD2  ASN  55          1HD2      ASN  55  -5.060   1.560  -9.538
  387   2HD2  ASN  55          2HD2      ASN  55  -5.245   0.945 -11.139
  388    H    LYS  56           H        LYS  56  -5.588   0.690  -5.856
  389    HA   LYS  56           HA       LYS  56  -7.709   1.941  -7.308
  390   1HB   LYS  56          2HB       LYS  56  -9.190   1.423  -5.097
  391   2HB   LYS  56          1HB       LYS  56  -9.345   0.540  -6.610
  392   1HG   LYS  56          2HG       LYS  56  -9.013  -1.286  -5.374
  393   2HG   LYS  56          1HG       LYS  56  -7.322  -0.776  -5.314
  394   1HD   LYS  56          2HD       LYS  56  -8.250  -1.308  -3.093
  395   2HD   LYS  56          1HD       LYS  56  -7.667   0.353  -3.239
  396   1HE   LYS  56          2HE       LYS  56  -9.878   0.013  -2.040
  397   2HE   LYS  56          1HE       LYS  56  -9.847   1.219  -3.314
  398   1HZ   LYS  56          1HZ       LYS  56 -11.827  -0.281  -3.319
  399   2HZ   LYS  56          2HZ       LYS  56 -10.797  -1.567  -3.723
  400   3HZ   LYS  56          3HZ       LYS  56 -10.975  -0.258  -4.784
  401    H    TYR  57           H        TYR  57  -6.982   3.951  -6.927
  402    HA   TYR  57           HA       TYR  57  -6.377   4.605  -4.132
  403   1HB   TYR  57          2HB       TYR  57  -5.166   6.249  -6.237
  404   2HB   TYR  57          1HB       TYR  57  -4.573   5.811  -4.649
  405    HD1  TYR  57           1HD      TYR  57  -4.436   5.099  -8.161
  406    HD2  TYR  57           2HD      TYR  57  -3.619   3.494  -4.303
  407    HE1  TYR  57           1HE      TYR  57  -2.920   3.451  -9.174
  408    HE2  TYR  57           2HE      TYR  57  -2.098   1.847  -5.310
  409    HH   TYR  57           HH       TYR  57  -1.004   2.069  -8.509
  410    H    PHE  58           H        PHE  58  -7.507   6.077  -3.232
  411    HA   PHE  58           HA       PHE  58  -8.688   8.255  -4.819
  412   1HB   PHE  58          2HB       PHE  58  -9.965   6.967  -2.386
  413   2HB   PHE  58          1HB       PHE  58 -10.676   8.188  -3.445
  414    HD1  PHE  58           1HD      PHE  58  -9.928   4.642  -3.036
  415    HD2  PHE  58           2HD      PHE  58 -11.558   7.591  -5.633
  416    HE1  PHE  58           1HE      PHE  58 -10.968   2.870  -4.388
  417    HE2  PHE  58           2HE      PHE  58 -12.602   5.827  -6.990
  418    HZ   PHE  58           HZ       PHE  58 -12.310   3.460  -6.362
  419    HA   PRO  59           HA       PRO  59  -6.413   9.948  -1.281
  420   1HB   PRO  59          2HB       PRO  59  -4.942  11.749  -2.509
  421   2HB   PRO  59          1HB       PRO  59  -4.701  10.028  -2.847
  422   1HG   PRO  59          2HG       PRO  59  -6.104  12.092  -4.455
  423   2HG   PRO  59          1HG       PRO  59  -5.087  10.760  -5.014
  424   1HD   PRO  59          2HD       PRO  59  -7.922  10.806  -4.856
  425   2HD   PRO  59          1HD       PRO  59  -6.900   9.394  -5.190
  426    HA   PRO  60           HA       PRO  60  -9.334  13.793  -1.081
  427   1HB   PRO  60          2HB       PRO  60 -10.696  11.925   0.762
  428   2HB   PRO  60          1HB       PRO  60 -11.359  13.200  -0.270
  429   1HG   PRO  60          2HG       PRO  60 -11.672  10.698  -0.993
  430   2HG   PRO  60          1HG       PRO  60 -11.168  11.904  -2.195
  431   1HD   PRO  60          2HD       PRO  60  -9.472   9.920  -0.703
  432   2HD   PRO  60          1HD       PRO  60  -9.500  10.289  -2.442
  433    H    ASP  61           H        ASP  61 -10.022  14.477   1.256
  434    HA   ASP  61           HA       ASP  61  -7.830  14.169   3.125
  435   1HB   ASP  61          2HB       ASP  61  -6.859  15.538   1.294
  436   2HB   ASP  61          1HB       ASP  61  -8.169  16.690   1.472
  437    H    SER  62           H        SER  62  -8.776  17.317   3.291
  438    HA   SER  62           HA       SER  62 -11.470  16.935   4.291
  439   1HB   SER  62          2HB       SER  62  -9.226  17.966   6.052
  440   2HB   SER  62          1HB       SER  62 -10.939  18.123   6.442
  441    HG   SER  62           HG       SER  62  -9.400  15.748   6.194
  442    H    LYS  63           H        LYS  63  -8.745  19.180   3.858
  443    HA   LYS  63           HA       LYS  63 -10.598  21.425   3.745
  444   1HB   LYS  63          2HB       LYS  63  -8.382  22.734   3.556
  445   2HB   LYS  63          1HB       LYS  63  -8.800  21.981   5.085
  446   1HG   LYS  63          2HG       LYS  63  -6.462  21.660   4.623
  447   2HG   LYS  63          1HG       LYS  63  -7.297  20.109   4.561
  448   1HD   LYS  63          2HD       LYS  63  -7.196  20.053   2.173
  449   2HD   LYS  63          1HD       LYS  63  -6.680  21.745   2.105
  450   1HE   LYS  63          2HE       LYS  63  -4.854  20.046   1.743
  451   2HE   LYS  63          1HE       LYS  63  -4.544  21.232   3.009
  452   1HZ   LYS  63          1HZ       LYS  63  -5.068  19.625   4.676
  453   2HZ   LYS  63          2HZ       LYS  63  -3.959  18.911   3.613
  454   3HZ   LYS  63          3HZ       LYS  63  -5.603  18.504   3.526
  455    H    LEU  64           H        LEU  64  -9.672  19.310   1.504
  456    HA   LEU  64           HA       LEU  64 -10.127  21.134  -0.672
  457   1HB   LEU  64          2HB       LEU  64  -7.644  21.313  -0.091
  458   2HB   LEU  64          1HB       LEU  64  -7.505  19.653  -0.633
  459    HG   LEU  64           HG       LEU  64  -6.813  21.456  -2.285
  460   1HD1  LEU  64          1HD1      LEU  64  -7.236  19.163  -2.995
  461   2HD1  LEU  64          2HD1      LEU  64  -7.771  20.319  -4.215
  462   3HD1  LEU  64          3HD1      LEU  64  -8.951  19.528  -3.169
  463   1HD2  LEU  64          1HD2      LEU  64  -8.573  22.549  -3.550
  464   2HD2  LEU  64          2HD2      LEU  64  -8.658  23.000  -1.848
  465   3HD2  LEU  64          3HD2      LEU  64  -9.794  21.823  -2.508
  466    H    LEU  65           H        LEU  65  -8.352  18.089  -0.426
  467    HA   LEU  65           HA       LEU  65  -9.779  16.778  -2.421
  468   1HB   LEU  65          2HB       LEU  65  -8.088  15.795  -0.167
  469   2HB   LEU  65          1HB       LEU  65  -8.846  14.687  -1.286
  470    HG   LEU  65           HG       LEU  65  -6.586  14.953  -1.944
  471   1HD1  LEU  65          1HD1      LEU  65  -8.310  14.880  -3.703
  472   2HD1  LEU  65          2HD1      LEU  65  -6.814  15.674  -4.199
  473   3HD1  LEU  65          3HD1      LEU  65  -8.234  16.639  -3.801
  474   1HD2  LEU  65          1HD2      LEU  65  -5.591  17.112  -2.503
  475   2HD2  LEU  65          2HD2      LEU  65  -6.075  17.037  -0.810
  476   3HD2  LEU  65          3HD2      LEU  65  -7.059  17.927  -1.971
  477    H    GLY  66           H        GLY  66 -10.042  16.448   1.053
  478   1HA   GLY  66          2HA       GLY  66 -11.987  16.986   2.149
  479   2HA   GLY  66          1HA       GLY  66 -12.858  16.848   0.647
  480    H    ALA  67           H        ALA  67 -12.770  14.368  -0.148
  481    HA   ALA  67           HA       ALA  67 -14.811  13.299   1.419
  482   1HB   ALA  67          1HB       ALA  67 -13.083  11.876  -0.596
  483   2HB   ALA  67          2HB       ALA  67 -14.597  12.729  -0.903
  484   3HB   ALA  67          3HB       ALA  67 -14.597  11.248   0.058
  485    H    GLY  68           H        GLY  68 -12.090  11.159   0.860
  486   1HA   GLY  68          2HA       GLY  68 -11.140  11.086   3.538
  487   2HA   GLY  68          1HA       GLY  68 -12.175   9.701   3.184
  488    H    GLY  69           H        GLY  69  -9.030  10.714   3.187
  489   1HA   GLY  69          2HA       GLY  69  -8.021   9.863   0.696
  490   2HA   GLY  69          1HA       GLY  69  -7.094   9.985   2.173
  491    H    THR  70           H        THR  70  -7.699   7.955  -0.178
  492    HA   THR  70           HA       THR  70  -7.179   5.602   1.370
  493    HB   THR  70           HB       THR  70  -9.326   4.626  -0.003
  494    HG1  THR  70           1HG      THR  70  -9.829   7.293   0.730
  495   1HG2  THR  70          1HG2      THR  70 -10.326   4.398   2.200
  496   2HG2  THR  70          2HG2      THR  70  -9.251   5.651   2.825
  497   3HG2  THR  70          3HG2      THR  70  -8.582   4.114   2.276
  498    H    GLU  71           H        GLU  71  -5.365   5.683  -0.032
  499    HA   GLU  71           HA       GLU  71  -5.880   4.742  -2.777
  500   1HB   GLU  71          2HB       GLU  71  -3.253   5.625  -1.554
  501   2HB   GLU  71          1HB       GLU  71  -3.571   5.309  -3.253
  502   1HG   GLU  71          2HG       GLU  71  -5.204   7.213  -3.198
  503   2HG   GLU  71          1HG       GLU  71  -4.599   7.585  -1.585
  504    H    HIS  72           H        HIS  72  -6.050   2.509  -2.768
  505    HA   HIS  72           HA       HIS  72  -4.282   1.142  -0.847
  506   1HB   HIS  72          2HB       HIS  72  -6.598  -0.436  -1.738
  507   2HB   HIS  72          1HB       HIS  72  -5.813  -0.328  -0.182
  508    HD1  HIS  72           1HD      HIS  72  -8.196  -0.501   0.816
  509    HD2  HIS  72           2HD      HIS  72  -7.416   2.994  -1.278
  510    HE1  HIS  72           1HE      HIS  72 -10.084   1.044   1.354
  511    HE2  HIS  72           2HE      HIS  72  -9.761   3.019  -0.172
  512    H    PHE  73           H        PHE  73  -3.318  -0.681  -1.359
  513    HA   PHE  73           HA       PHE  73  -3.305  -1.582  -4.159
  514   1HB   PHE  73          2HB       PHE  73  -1.325  -1.799  -1.880
  515   2HB   PHE  73          1HB       PHE  73  -1.127  -2.680  -3.392
  516    HD1  PHE  73           1HD      PHE  73  -0.047  -1.662  -5.199
  517    HD2  PHE  73           2HD      PHE  73  -1.500   0.750  -2.005
  518    HE1  PHE  73           1HE      PHE  73   1.069   0.297  -6.175
  519    HE2  PHE  73           2HE      PHE  73  -0.380   2.714  -2.979
  520    HZ   PHE  73           HZ       PHE  73   0.916   2.495  -5.041
  521    H    HIS  74           H        HIS  74  -4.490  -3.416  -4.466
  522    HA   HIS  74           HA       HIS  74  -5.128  -5.001  -2.063
  523   1HB   HIS  74          2HB       HIS  74  -6.634  -4.343  -4.552
  524   2HB   HIS  74          1HB       HIS  74  -6.967  -5.879  -3.759
  525    HD1  HIS  74           1HD      HIS  74  -9.246  -5.352  -2.880
  526    HD2  HIS  74           2HD      HIS  74  -6.420  -2.490  -1.795
  527    HE1  HIS  74           1HE      HIS  74 -10.362  -3.911  -1.154
  528    HE2  HIS  74           2HE      HIS  74  -8.524  -2.435  -0.280
  529    H    VAL  75           H        VAL  75  -3.896  -6.814  -1.888
  530    HA   VAL  75           HA       VAL  75  -2.994  -8.047  -4.392
  531    HB   VAL  75           HB       VAL  75  -1.879  -8.406  -1.599
  532   1HG1  VAL  75          1HG1      VAL  75  -1.614 -10.407  -2.981
  533   2HG1  VAL  75          2HG1      VAL  75  -0.061  -9.620  -2.691
  534   3HG1  VAL  75          3HG1      VAL  75  -0.868  -9.435  -4.250
  535   1HG2  VAL  75          1HG2      VAL  75  -1.412  -6.187  -2.481
  536   2HG2  VAL  75          2HG2      VAL  75  -0.776  -6.895  -3.965
  537   3HG2  VAL  75          3HG2      VAL  75   0.058  -7.160  -2.434
  538    H    THR  76           H        THR  76  -4.271  -9.615  -5.013
  539    HA   THR  76           HA       THR  76  -5.499 -11.343  -2.989
  540    HB   THR  76           HB       THR  76  -6.095 -11.251  -5.965
  541    HG1  THR  76           1HG      THR  76  -6.930  -9.360  -5.405
  542   1HG2  THR  76          1HG2      THR  76  -7.635 -12.400  -3.634
  543   2HG2  THR  76          2HG2      THR  76  -6.758 -13.321  -4.857
  544   3HG2  THR  76          3HG2      THR  76  -8.177 -12.379  -5.315
  545    H    VAL  77           H        VAL  77  -4.098 -12.889  -2.502
  546    HA   VAL  77           HA       VAL  77  -3.149 -14.655  -4.607
  547    HB   VAL  77           HB       VAL  77  -1.324 -13.042  -4.428
  548   1HG1  VAL  77          1HG1      VAL  77  -1.734 -12.203  -2.193
  549   2HG1  VAL  77          2HG1      VAL  77  -0.068 -12.764  -2.333
  550   3HG1  VAL  77          3HG1      VAL  77  -1.266 -13.754  -1.500
  551   1HG2  VAL  77          1HG2      VAL  77   0.522 -14.550  -3.918
  552   2HG2  VAL  77          2HG2      VAL  77  -0.734 -15.383  -4.835
  553   3HG2  VAL  77          3HG2      VAL  77  -0.587 -15.648  -3.095
  554    H    LYS  78           H        LYS  78  -2.726 -16.776  -3.867
  555    HA   LYS  78           HA       LYS  78  -2.545 -17.094  -0.982
  556   1HB   LYS  78          2HB       LYS  78  -4.026 -18.852  -0.794
  557   2HB   LYS  78          1HB       LYS  78  -4.854 -17.788  -1.907
  558   1HG   LYS  78          2HG       LYS  78  -3.181 -19.865  -3.152
  559   2HG   LYS  78          1HG       LYS  78  -4.577 -20.446  -2.252
  560   1HD   LYS  78          2HD       LYS  78  -4.610 -18.444  -4.519
  561   2HD   LYS  78          1HD       LYS  78  -5.135 -20.129  -4.591
  562   1HE   LYS  78          2HE       LYS  78  -6.611 -19.271  -2.506
  563   2HE   LYS  78          1HE       LYS  78  -6.489 -17.777  -3.437
  564   1HZ   LYS  78          1HZ       LYS  78  -7.539 -20.388  -4.384
  565   2HZ   LYS  78          2HZ       LYS  78  -7.308 -19.043  -5.380
  566   3HZ   LYS  78          3HZ       LYS  78  -8.431 -18.970  -4.114
  567    H    ALA  79           H        ALA  79  -0.487 -17.553  -0.767
  568    HA   ALA  79           HA       ALA  79   0.595 -19.993  -1.751
  569   1HB   ALA  79          1HB       ALA  79   1.713 -17.420  -2.872
  570   2HB   ALA  79          2HB       ALA  79   0.895 -18.686  -3.788
  571   3HB   ALA  79          3HB       ALA  79   2.459 -19.010  -3.037
  572    H    ALA  80           H        ALA  80   2.746 -20.385  -0.826
  573    HA   ALA  80           HA       ALA  80   3.029 -18.973   1.695
  574   1HB   ALA  80          1HB       ALA  80   4.720 -20.652   2.226
  575   2HB   ALA  80          2HB       ALA  80   4.638 -21.275   0.577
  576   3HB   ALA  80          3HB       ALA  80   3.241 -21.415   1.643
  577    H    GLY  81           H        GLY  81   3.775 -16.989   1.296
  578   1HA   GLY  81          2HA       GLY  81   6.532 -16.754   0.355
  579   2HA   GLY  81          1HA       GLY  81   5.297 -15.825  -0.483
  580    H    THR  82           H        THR  82   7.341 -14.490   0.676
  581    HA   THR  82           HA       THR  82   6.096 -13.363   3.095
  582    HB   THR  82           HB       THR  82   8.892 -12.717   2.184
  583    HG1  THR  82           1HG      THR  82   8.457 -15.087   2.476
  584   1HG2  THR  82          1HG2      THR  82   7.935 -11.321   3.933
  585   2HG2  THR  82          2HG2      THR  82   9.196 -12.350   4.617
  586   3HG2  THR  82          3HG2      THR  82   7.495 -12.755   4.864
  587    H    HIS  83           H        HIS  83   5.334 -11.279   3.038
  588    HA   HIS  83           HA       HIS  83   5.327 -10.079   0.346
  589   1HB   HIS  83          2HB       HIS  83   3.117 -10.818   1.581
  590   2HB   HIS  83          1HB       HIS  83   3.379  -9.360   2.521
  591    HD1  HIS  83           1HD      HIS  83   3.475  -7.082   1.117
  592    HD2  HIS  83           2HD      HIS  83   1.906 -10.381  -0.858
  593    HE1  HIS  83           1HE      HIS  83   2.256  -6.143  -0.869
  594    HE2  HIS  83           2HE      HIS  83   1.170  -8.154  -1.958
  595    H    ALA  84           H        ALA  84   6.996  -8.629   0.347
  596    HA   ALA  84           HA       ALA  84   7.163  -6.742   2.594
  597   1HB   ALA  84          1HB       ALA  84   9.249  -7.890   2.006
  598   2HB   ALA  84          2HB       ALA  84   9.372  -6.152   1.724
  599   3HB   ALA  84          3HB       ALA  84   9.137  -7.254   0.364
  600    H    VAL  85           H        VAL  85   6.556  -4.655   2.331
  601    HA   VAL  85           HA       VAL  85   5.852  -3.822  -0.411
  602    HB   VAL  85           HB       VAL  85   4.228  -2.943   1.928
  603   1HG1  VAL  85          1HG1      VAL  85   3.557  -3.404  -0.970
  604   2HG1  VAL  85          2HG1      VAL  85   3.898  -1.848  -0.214
  605   3HG1  VAL  85          3HG1      VAL  85   2.464  -2.760   0.256
  606   1HG2  VAL  85          1HG2      VAL  85   4.296  -5.352   2.152
  607   2HG2  VAL  85          2HG2      VAL  85   3.811  -5.535   0.464
  608   3HG2  VAL  85          3HG2      VAL  85   2.699  -4.814   1.626
  609    H    ASN  86           H        ASN  86   7.421  -2.345  -0.757
  610    HA   ASN  86           HA       ASN  86   7.506  -0.051   1.107
  611   1HB   ASN  86          2HB       ASN  86   9.476  -0.910  -1.038
  612   2HB   ASN  86          1HB       ASN  86   9.577   0.608  -0.158
  613   1HD2  ASN  86          1HD2      ASN  86   8.743  -2.596   1.100
  614   2HD2  ASN  86          2HD2      ASN  86  10.096  -2.710   2.170
  615    H    LEU  87           H        LEU  87   5.973   1.275   0.519
  616    HA   LEU  87           HA       LEU  87   5.433   1.679  -2.336
  617   1HB   LEU  87          2HB       LEU  87   3.752   2.244   0.112
  618   2HB   LEU  87          1HB       LEU  87   3.290   2.680  -1.523
  619    HG   LEU  87           HG       LEU  87   3.793  -0.168  -0.640
  620   1HD1  LEU  87          1HD1      LEU  87   1.183   1.302  -0.965
  621   2HD1  LEU  87          2HD1      LEU  87   1.888   0.773   0.565
  622   3HD1  LEU  87          3HD1      LEU  87   1.374  -0.420  -0.631
  623   1HD2  LEU  87          1HD2      LEU  87   4.087   0.232  -3.011
  624   2HD2  LEU  87          2HD2      LEU  87   2.501   1.006  -3.089
  625   3HD2  LEU  87          3HD2      LEU  87   2.631  -0.711  -2.704
  626    H    THR  88           H        THR  88   6.018   3.549  -3.241
  627    HA   THR  88           HA       THR  88   7.221   5.526  -1.447
  628    HB   THR  88           HB       THR  88   7.674   5.334  -4.425
  629    HG1  THR  88           1HG      THR  88   8.314   3.342  -3.742
  630   1HG2  THR  88          1HG2      THR  88   9.816   6.386  -3.845
  631   2HG2  THR  88          2HG2      THR  88   9.358   6.385  -2.142
  632   3HG2  THR  88          3HG2      THR  88   8.458   7.368  -3.296
  633    H    TYR  89           H        TYR  89   6.190   7.292  -1.092
  634    HA   TYR  89           HA       TYR  89   3.924   8.141  -2.682
  635   1HB   TYR  89          2HB       TYR  89   3.951   8.114  -0.161
  636   2HB   TYR  89          1HB       TYR  89   5.161   9.391  -0.210
  637    HD1  TYR  89           1HD      TYR  89   1.636   8.578  -0.917
  638    HD2  TYR  89           2HD      TYR  89   4.544  11.650  -0.619
  639    HE1  TYR  89           1HE      TYR  89  -0.148  10.267  -0.945
  640    HE2  TYR  89           2HE      TYR  89   2.774  13.350  -0.649
  641    HH   TYR  89           HH       TYR  89  -0.310  12.764   0.021
  642    H    MET  90           H        MET  90   4.762   8.937  -4.605
  643    HA   MET  90           HA       MET  90   6.565  11.281  -4.387
  644   1HB   MET  90          2HB       MET  90   6.603   9.430  -6.747
  645   2HB   MET  90          1HB       MET  90   7.782  10.642  -6.289
  646   1HG   MET  90          2HG       MET  90   8.575   9.282  -4.494
  647   2HG   MET  90          1HG       MET  90   7.302   8.088  -4.794
  648   1HE   MET  90          1HE       MET  90   8.282   7.240  -8.612
  649   2HE   MET  90          2HE       MET  90   7.303   8.599  -8.046
  650   3HE   MET  90          3HE       MET  90   7.043   6.986  -7.385
  651    H    ARG  91           H        ARG  91   6.431  12.708  -6.271
  652    HA   ARG  91           HA       ARG  91   3.805  13.162  -7.249
  653   1HB   ARG  91          2HB       ARG  91   6.182  14.624  -7.221
  654   2HB   ARG  91          1HB       ARG  91   5.980  14.189  -8.917
  655   1HG   ARG  91          2HG       ARG  91   3.697  15.131  -8.861
  656   2HG   ARG  91          1HG       ARG  91   4.000  15.673  -7.212
  657   1HD   ARG  91          2HD       ARG  91   5.679  16.467  -9.579
  658   2HD   ARG  91          1HD       ARG  91   4.317  17.412  -8.985
  659    HE   ARG  91           HE       ARG  91   5.895  17.099  -6.791
  660   1HH1  ARG  91          1HH1      ARG  91   6.405  18.328 -10.025
  661   2HH1  ARG  91          2HH1      ARG  91   7.620  19.472  -9.547
  662   1HH2  ARG  91          1HH2      ARG  91   7.460  18.647  -6.124
  663   2HH2  ARG  91          2HH2      ARG  91   8.210  19.665  -7.323
  664    HA   PRO  92           HA       PRO  92   3.888   9.421  -9.639
  665   1HB   PRO  92          2HB       PRO  92   1.796  10.302 -11.350
  666   2HB   PRO  92          1HB       PRO  92   1.650   9.304  -9.901
  667   1HG   PRO  92          2HG       PRO  92   1.308  12.252 -10.214
  668   2HG   PRO  92          1HG       PRO  92   0.442  11.126  -9.149
  669   1HD   PRO  92          2HD       PRO  92   2.280  12.772  -8.179
  670   2HD   PRO  92          1HD       PRO  92   2.193  11.092  -7.601
  671    H    TRP  93           H        TRP  93   3.996  12.567 -11.292
  672    HA   TRP  93           HA       TRP  93   4.888  11.227 -13.720
  673   1HB   TRP  93          2HB       TRP  93   4.764  13.532 -14.731
  674   2HB   TRP  93          1HB       TRP  93   3.239  12.860 -14.170
  675    HD1  TRP  93           HD       TRP  93   5.669  15.714 -13.540
  676    HE1  TRP  93           1HE      TRP  93   4.591  17.388 -11.905
  677    HE3  TRP  93           3HE      TRP  93   1.567  12.989 -12.195
  678    HZ2  TRP  93           2HZ      TRP  93   2.300  17.521 -10.260
  679    HZ3  TRP  93           3HZ      TRP  93  -0.018  13.954 -10.587
  680    HH2  TRP  93           HH       TRP  93   0.338  16.180  -9.639
  681    H    THR  94           H        THR  94   6.443  12.071 -11.038
  682    HA   THR  94           HA       THR  94   8.966  12.139 -12.354
  683    HB   THR  94           HB       THR  94   8.650  14.453 -12.714
  684    HG1  THR  94           1HG      THR  94  10.610  14.720 -11.990
  685   1HG2  THR  94          1HG2      THR  94   6.754  14.845 -11.222
  686   2HG2  THR  94          2HG2      THR  94   8.017  16.050 -10.966
  687   3HG2  THR  94          3HG2      THR  94   7.819  14.722  -9.821
  688    H    GLY  95           H        GLY  95   7.562  13.219  -9.241
  689   1HA   GLY  95          2HA       GLY  95   8.003  12.582  -7.070
  690   2HA   GLY  95          1HA       GLY  95   8.572  11.053  -7.753
  691    HA   PRO  96           HA       PRO  96  12.252  14.291  -7.365
  692   1HB   PRO  96          2HB       PRO  96  11.296  15.490  -4.840
  693   2HB   PRO  96          1HB       PRO  96  12.051  16.258  -6.230
  694   1HG   PRO  96          2HG       PRO  96   9.453  16.558  -5.681
  695   2HG   PRO  96          1HG       PRO  96  10.074  16.539  -7.340
  696   1HD   PRO  96          2HD       PRO  96   8.625  14.430  -5.821
  697   2HD   PRO  96          1HD       PRO  96   8.569  14.819  -7.552
  698    H    SER  97           H        SER  97  13.793  13.002  -6.629
  699    HA   SER  97           HA       SER  97  13.228  10.664  -5.304
  700   1HB   SER  97          2HB       SER  97  15.220  11.069  -6.730
  701   2HB   SER  97          1HB       SER  97  15.941  11.994  -5.413
  702    HG   SER  97           HG       SER  97  16.691  10.116  -4.820
  703    H    HIS  98           H        HIS  98  14.860  13.508  -3.886
  704    HA   HIS  98           HA       HIS  98  14.772  12.198  -1.274
  705   1HB   HIS  98          2HB       HIS  98  16.845  13.331  -2.125
  706   2HB   HIS  98          1HB       HIS  98  15.992  14.864  -2.025
  707    HD1  HIS  98           1HD      HIS  98  16.389  16.109   0.067
  708    HD2  HIS  98           2HD      HIS  98  16.907  12.012   0.590
  709    HE1  HIS  98           1HE      HIS  98  17.190  15.818   2.436
  710    HE2  HIS  98           2HE      HIS  98  17.484  13.338   2.737
  711    H    ASP  99           H        ASP  99  12.537  13.754  -2.961
  712    HA   ASP  99           HA       ASP  99  11.708  15.520  -0.741
  713   1HB   ASP  99          2HB       ASP  99  12.284  16.552  -2.995
  714   2HB   ASP  99          1HB       ASP  99  10.861  15.744  -3.633
  715    H    SER 100           H        SER 100  11.188  12.588  -1.963
  716    HA   SER 100           HA       SER 100   8.265  12.625  -1.821
  717   1HB   SER 100          2HB       SER 100  10.176  10.447  -2.698
  718   2HB   SER 100          1HB       SER 100   8.416  10.372  -2.793
  719    HG   SER 100           HG       SER 100  10.117  12.213  -4.139
  720    H    GLU 101           H        GLU 101   7.304  10.600  -0.802
  721    HA   GLU 101           HA       GLU 101   8.622   9.998   1.774
  722   1HB   GLU 101          2HB       GLU 101   6.627  11.323   2.126
  723   2HB   GLU 101          1HB       GLU 101   5.696  10.303   1.045
  724   1HG   GLU 101          2HG       GLU 101   5.079   9.878   3.329
  725   2HG   GLU 101          1HG       GLU 101   5.868   8.461   2.645
  726    H    ARG 102           H        ARG 102   7.773   7.750   2.656
  727    HA   ARG 102           HA       ARG 102   6.907   5.902   0.614
  728   1HB   ARG 102          2HB       ARG 102   9.516   6.231   0.489
  729   2HB   ARG 102          1HB       ARG 102   9.526   5.205   1.915
  730   1HG   ARG 102          2HG       ARG 102   8.356   3.456   0.652
  731   2HG   ARG 102          1HG       ARG 102   8.387   4.487  -0.779
  732   1HD   ARG 102          2HD       ARG 102  10.904   4.558  -0.500
  733   2HD   ARG 102          1HD       ARG 102  10.714   3.256   0.672
  734    HE   ARG 102           HE       ARG 102   9.546   2.787  -1.968
  735   1HH1  ARG 102          1HH1      ARG 102  12.224   2.282   0.239
  736   2HH1  ARG 102          2HH1      ARG 102  12.953   1.027  -0.712
  737   1HH2  ARG 102          1HH2      ARG 102  10.508   1.135  -3.246
  738   2HH2  ARG 102          2HH2      ARG 102  11.974   0.371  -2.685
  739    H    PHE 103           H        PHE 103   6.013   4.137   1.377
  740    HA   PHE 103           HA       PHE 103   5.746   3.817   4.287
  741   1HB   PHE 103          2HB       PHE 103   3.569   4.007   3.507
  742   2HB   PHE 103          1HB       PHE 103   3.984   3.387   1.915
  743    HD1  PHE 103           1HD      PHE 103   2.856   2.592   5.258
  744    HD2  PHE 103           2HD      PHE 103   4.064   0.993   1.509
  745    HE1  PHE 103           1HE      PHE 103   1.881   0.421   5.866
  746    HE2  PHE 103           2HE      PHE 103   3.098  -1.175   2.113
  747    HZ   PHE 103           HZ       PHE 103   2.006  -1.460   4.294
  748    H    THR 104           H        THR 104   5.743   1.535   5.087
  749    HA   THR 104           HA       THR 104   6.780  -0.466   3.306
  750    HB   THR 104           HB       THR 104   8.538   0.561   5.548
  751    HG1  THR 104           1HG      THR 104   8.384   1.199   2.943
  752   1HG2  THR 104          1HG2      THR 104   8.606  -1.876   5.384
  753   2HG2  THR 104          2HG2      THR 104  10.125  -1.157   4.840
  754   3HG2  THR 104          3HG2      THR 104   8.959  -1.754   3.659
  755    H    VAL 105           H        VAL 105   5.108  -1.837   3.934
  756    HA   VAL 105           HA       VAL 105   5.217  -2.680   6.743
  757    HB   VAL 105           HB       VAL 105   2.954  -2.248   5.808
  758   1HG1  VAL 105          1HG1      VAL 105   1.988  -3.773   4.198
  759   2HG1  VAL 105          2HG1      VAL 105   3.529  -4.619   4.051
  760   3HG1  VAL 105          3HG1      VAL 105   3.385  -2.946   3.507
  761   1HG2  VAL 105          1HG2      VAL 105   3.765  -4.918   6.831
  762   2HG2  VAL 105          2HG2      VAL 105   2.097  -4.673   6.312
  763   3HG2  VAL 105          3HG2      VAL 105   2.775  -3.663   7.586
  764    H    TYR 106           H        TYR 106   6.085  -4.559   7.304
  765    HA   TYR 106           HA       TYR 106   6.966  -6.354   5.166
  766   1HB   TYR 106          2HB       TYR 106   7.951  -6.050   8.003
  767   2HB   TYR 106          1HB       TYR 106   8.416  -7.370   6.936
  768    HD1  TYR 106           1HD      TYR 106   9.470  -6.726   4.676
  769    HD2  TYR 106           2HD      TYR 106   9.169  -4.070   7.981
  770    HE1  TYR 106           1HE      TYR 106  11.256  -5.344   3.715
  771    HE2  TYR 106           2HE      TYR 106  10.956  -2.681   7.035
  772    HH   TYR 106           HH       TYR 106  12.840  -2.890   5.462
  773    H    LEU 107           H        LEU 107   5.708  -7.954   4.817
  774    HA   LEU 107           HA       LEU 107   4.178  -9.109   7.041
  775   1HB   LEU 107          2HB       LEU 107   3.280  -8.450   4.250
  776   2HB   LEU 107          1HB       LEU 107   2.342  -9.427   5.358
  777    HG   LEU 107           HG       LEU 107   3.146  -6.578   5.891
  778   1HD1  LEU 107          1HD1      LEU 107   0.859  -6.007   5.234
  779   2HD1  LEU 107          2HD1      LEU 107   0.592  -7.675   4.732
  780   3HD1  LEU 107          3HD1      LEU 107   1.776  -6.679   3.886
  781   1HD2  LEU 107          1HD2      LEU 107   2.592  -7.918   7.859
  782   2HD2  LEU 107          2HD2      LEU 107   1.054  -8.363   7.117
  783   3HD2  LEU 107          3HD2      LEU 107   1.370  -6.682   7.549
  784    H    LYS 108           H        LYS 108   3.465 -11.321   6.582
  785    HA   LYS 108           HA       LYS 108   5.111 -12.666   4.539
  786   1HB   LYS 108          2HB       LYS 108   5.625 -13.229   6.964
  787   2HB   LYS 108          1HB       LYS 108   4.018 -13.934   7.054
  788   1HG   LYS 108          2HG       LYS 108   4.629 -15.464   5.216
  789   2HG   LYS 108          1HG       LYS 108   6.270 -14.811   5.260
  790   1HD   LYS 108          2HD       LYS 108   6.341 -15.442   7.698
  791   2HD   LYS 108          1HD       LYS 108   4.833 -16.315   7.439
  792   1HE   LYS 108          2HE       LYS 108   7.421 -16.829   5.979
  793   2HE   LYS 108          1HE       LYS 108   6.811 -17.779   7.331
  794   1HZ   LYS 108          1HZ       LYS 108   6.254 -18.911   5.344
  795   2HZ   LYS 108          2HZ       LYS 108   5.619 -17.517   4.631
  796   3HZ   LYS 108          3HZ       LYS 108   4.814 -18.241   5.937
  797    H    ALA 109           H        ALA 109   3.888 -13.361   2.893
  798    HA   ALA 109           HA       ALA 109   0.990 -13.447   3.316
  799   1HB   ALA 109          1HB       ALA 109   2.509 -13.107   0.736
  800   2HB   ALA 109          2HB       ALA 109   1.788 -11.798   1.671
  801   3HB   ALA 109          3HB       ALA 109   0.759 -13.027   0.935
  802    H    ASN 110           H        ASN 110   0.207 -15.385   3.595
  803    HA   ASN 110           HA       ASN 110   0.735 -17.618   2.001
  804   1HB   ASN 110          2HB       ASN 110   2.208 -18.952   3.397
  805   2HB   ASN 110          1HB       ASN 110   3.016 -17.449   2.980
  806   1HD2  ASN 110          1HD2      ASN 110   1.606 -15.833   4.912
  807   2HD2  ASN 110          2HD2      ASN 110   2.220 -16.273   6.464
  Start of MODEL    9
    1    H    HIS   3           H        HIS   3  -6.436 -10.262   4.650
    2    HA   HIS   3           HA       HIS   3  -5.543  -9.284   7.254
    3   1HB   HIS   3          2HB       HIS   3  -3.726 -10.782   6.827
    4   2HB   HIS   3          1HB       HIS   3  -3.784 -10.446   5.093
    5    HD1  HIS   3           1HD      HIS   3  -2.942  -8.568   8.294
    6    HD2  HIS   3           2HD      HIS   3  -1.834  -8.771   4.287
    7    HE1  HIS   3           1HE      HIS   3  -1.112  -6.870   8.015
    8    HE2  HIS   3           2HE      HIS   3  -0.587  -6.878   5.549
    9    H    LYS   4           H        LYS   4  -4.886  -7.076   7.181
   10    HA   LYS   4           HA       LYS   4  -4.766  -5.783   4.575
   11   1HB   LYS   4          2HB       LYS   4  -6.411  -4.040   5.252
   12   2HB   LYS   4          1HB       LYS   4  -7.112  -5.635   5.009
   13   1HG   LYS   4          2HG       LYS   4  -7.028  -5.965   7.479
   14   2HG   LYS   4          1HG       LYS   4  -6.526  -4.278   7.628
   15   1HD   LYS   4          2HD       LYS   4  -8.589  -3.578   6.496
   16   2HD   LYS   4          1HD       LYS   4  -9.089  -5.265   6.375
   17   1HE   LYS   4          2HE       LYS   4 -10.203  -4.196   8.241
   18   2HE   LYS   4          1HE       LYS   4  -9.081  -5.425   8.825
   19   1HZ   LYS   4          1HZ       LYS   4  -8.970  -3.366  10.117
   20   2HZ   LYS   4          2HZ       LYS   4  -8.517  -2.508   8.724
   21   3HZ   LYS   4          3HZ       LYS   4  -7.492  -3.706   9.356
   22    H    VAL   5           H        VAL   5  -3.724  -3.767   4.578
   23    HA   VAL   5           HA       VAL   5  -2.466  -3.027   7.132
   24    HB   VAL   5           HB       VAL   5  -1.218  -3.363   4.449
   25   1HG1  VAL   5          1HG1      VAL   5   0.614  -1.793   5.075
   26   2HG1  VAL   5          2HG1      VAL   5  -0.448  -1.150   6.329
   27   3HG1  VAL   5          3HG1      VAL   5  -0.907  -1.012   4.635
   28   1HG2  VAL   5          1HG2      VAL   5  -0.839  -4.889   6.357
   29   2HG2  VAL   5          2HG2      VAL   5  -0.126  -3.538   7.251
   30   3HG2  VAL   5          3HG2      VAL   5   0.639  -4.122   5.771
   31    H    THR   6           H        THR   6  -2.593  -1.033   7.791
   32    HA   THR   6           HA       THR   6  -3.492   1.081   5.972
   33    HB   THR   6           HB       THR   6  -4.191   2.142   8.288
   34    HG1  THR   6           1HG      THR   6  -4.660   0.643   9.833
   35   1HG2  THR   6          1HG2      THR   6  -5.727  -0.004   6.821
   36   2HG2  THR   6          2HG2      THR   6  -5.719   1.725   6.462
   37   3HG2  THR   6          3HG2      THR   6  -6.441   1.136   7.963
   38    H    LYS   7           H        LYS   7  -2.852   3.330   6.983
   39    HA   LYS   7           HA       LYS   7  -0.313   3.848   6.312
   40   1HB   LYS   7          2HB       LYS   7  -1.966   5.563   6.811
   41   2HB   LYS   7          1HB       LYS   7  -1.762   5.269   8.533
   42   1HG   LYS   7          2HG       LYS   7  -0.528   7.253   7.667
   43   2HG   LYS   7          1HG       LYS   7   0.485   6.061   8.483
   44   1HD   LYS   7          2HD       LYS   7   1.169   5.145   6.335
   45   2HD   LYS   7          1HD       LYS   7   0.135   6.289   5.489
   46   1HE   LYS   7          2HE       LYS   7   2.636   6.820   7.084
   47   2HE   LYS   7          1HE       LYS   7   2.330   7.179   5.386
   48   1HZ   LYS   7          1HZ       LYS   7   0.633   8.807   6.167
   49   2HZ   LYS   7          2HZ       LYS   7   2.219   9.202   6.595
   50   3HZ   LYS   7          3HZ       LYS   7   1.168   8.544   7.754
   51    H    ALA   8           H        ALA   8  -1.191   3.099   9.728
   52    HA   ALA   8           HA       ALA   8   1.282   3.679  10.872
   53   1HB   ALA   8          1HB       ALA   8  -0.631   1.512  11.721
   54   2HB   ALA   8          2HB       ALA   8  -0.757   3.218  12.153
   55   3HB   ALA   8          3HB       ALA   8   0.611   2.262  12.724
   56    H    HIS   9           H        HIS   9   0.252   0.827   9.155
   57    HA   HIS   9           HA       HIS   9   2.385  -0.883   9.876
   58   1HB   HIS   9          2HB       HIS   9   0.640  -0.847   7.429
   59   2HB   HIS   9          1HB       HIS   9   1.806  -2.112   7.774
   60    HD1  HIS   9           1HD      HIS   9  -1.530  -0.813   8.778
   61    HD2  HIS   9           2HD      HIS   9   1.025  -3.930   9.771
   62    HE1  HIS   9           1HE      HIS   9  -2.994  -2.580   9.798
   63    HE2  HIS   9           2HE      HIS   9  -1.411  -4.419  10.512
   64    H    ASN  10           H        ASN  10   2.453   1.967   8.182
   65    HA   ASN  10           HA       ASN  10   4.290   1.806   6.176
   66   1HB   ASN  10          2HB       ASN  10   3.330   3.934   6.988
   67   2HB   ASN  10          1HB       ASN  10   4.304   3.816   8.455
   68   1HD2  ASN  10          1HD2      ASN  10   4.216   4.655   5.141
   69   2HD2  ASN  10          2HD2      ASN  10   5.829   5.261   5.011
   70    H    GLY  11           H        GLY  11   4.691   0.978   9.488
   71   1HA   GLY  11          2HA       GLY  11   7.469   0.174   8.937
   72   2HA   GLY  11          1HA       GLY  11   7.147   1.138  10.375
   73    H    ALA  12           H        ALA  12   5.565  -1.654   8.801
   74    HA   ALA  12           HA       ALA  12   5.410  -2.900  11.480
   75   1HB   ALA  12          1HB       ALA  12   3.391  -4.093  10.423
   76   2HB   ALA  12          2HB       ALA  12   3.485  -2.829   9.187
   77   3HB   ALA  12          3HB       ALA  12   3.224  -2.395  10.876
   78    H    THR  13           H        THR  13   5.554  -5.158  11.652
   79    HA   THR  13           HA       THR  13   6.220  -6.740   9.289
   80    HB   THR  13           HB       THR  13   7.941  -6.794  11.787
   81    HG1  THR  13           1HG      THR  13   8.038  -5.224   9.581
   82   1HG2  THR  13          1HG2      THR  13   9.378  -8.286  10.448
   83   2HG2  THR  13          2HG2      THR  13   8.187  -8.246   9.147
   84   3HG2  THR  13          3HG2      THR  13   7.771  -8.971  10.700
   85    H    LEU  14           H        LEU  14   4.760  -8.372   9.350
   86    HA   LEU  14           HA       LEU  14   4.255  -9.855  11.748
   87   1HB   LEU  14          2HB       LEU  14   1.918  -9.369  12.027
   88   2HB   LEU  14          1HB       LEU  14   2.852  -7.903  12.170
   89    HG   LEU  14           HG       LEU  14   0.889  -7.297  11.051
   90   1HD1  LEU  14          1HD1      LEU  14   2.991  -7.659   8.938
   91   2HD1  LEU  14          2HD1      LEU  14   2.806  -6.286  10.030
   92   3HD1  LEU  14          3HD1      LEU  14   1.575  -6.611   8.810
   93   1HD2  LEU  14          1HD2      LEU  14   0.032  -9.464  10.474
   94   2HD2  LEU  14          2HD2      LEU  14   1.262  -9.658   9.226
   95   3HD2  LEU  14          3HD2      LEU  14   0.017  -8.422   9.052
   96    H    THR  15           H        THR  15   2.477 -11.548  11.368
   97    HA   THR  15           HA       THR  15   2.973 -12.674   8.702
   98    HB   THR  15           HB       THR  15   1.993 -14.019  11.230
   99    HG1  THR  15           1HG      THR  15   4.114 -13.635  11.550
  100   1HG2  THR  15          1HG2      THR  15   2.854 -15.258   8.617
  101   2HG2  THR  15          2HG2      THR  15   1.176 -15.042   9.121
  102   3HG2  THR  15          3HG2      THR  15   2.250 -16.106  10.044
  103    H    VAL  16           H        VAL  16   1.298 -13.504   7.433
  104    HA   VAL  16           HA       VAL  16  -1.439 -12.893   8.324
  105    HB   VAL  16           HB       VAL  16  -2.025 -11.834   6.329
  106   1HG1  VAL  16          1HG1      VAL  16   0.826 -11.033   6.895
  107   2HG1  VAL  16          2HG1      VAL  16  -0.617 -10.426   7.709
  108   3HG1  VAL  16          3HG1      VAL  16  -0.350 -10.068   6.003
  109   1HG2  VAL  16          1HG2      VAL  16  -0.683 -11.802   4.296
  110   2HG2  VAL  16          2HG2      VAL  16  -1.076 -13.455   4.773
  111   3HG2  VAL  16          3HG2      VAL  16   0.537 -12.809   5.078
  112    H    ALA  17           H        ALA  17  -3.086 -14.115   7.234
  113    HA   ALA  17           HA       ALA  17  -2.126 -16.461   5.726
  114   1HB   ALA  17          1HB       ALA  17  -4.365 -17.442   6.366
  115   2HB   ALA  17          2HB       ALA  17  -4.561 -16.065   7.456
  116   3HB   ALA  17          3HB       ALA  17  -3.242 -17.208   7.707
  117    H    VAL  18           H        VAL  18  -2.984 -16.696   3.646
  118    HA   VAL  18           HA       VAL  18  -4.946 -14.621   2.909
  119    HB   VAL  18           HB       VAL  18  -3.094 -15.710   0.834
  120   1HG1  VAL  18          1HG1      VAL  18  -4.939 -14.282   0.155
  121   2HG1  VAL  18          2HG1      VAL  18  -3.399 -13.469  -0.120
  122   3HG1  VAL  18          3HG1      VAL  18  -4.396 -13.020   1.263
  123   1HG2  VAL  18          1HG2      VAL  18  -2.332 -13.352   2.544
  124   2HG2  VAL  18          2HG2      VAL  18  -1.351 -14.193   1.330
  125   3HG2  VAL  18          3HG2      VAL  18  -1.747 -14.982   2.859
  126    H    GLY  19           H        GLY  19  -5.308 -15.568   0.277
  127   1HA   GLY  19          2HA       GLY  19  -6.168 -17.723  -0.651
  128   2HA   GLY  19          1HA       GLY  19  -6.912 -17.963   0.927
  129    H    GLU  20           H        GLU  20  -8.010 -15.633   1.546
  130    HA   GLU  20           HA       GLU  20 -10.082 -15.239  -0.435
  131   1HB   GLU  20          2HB       GLU  20  -9.649 -13.781   2.184
  132   2HB   GLU  20          1HB       GLU  20 -11.112 -13.759   1.202
  133   1HG   GLU  20          2HG       GLU  20 -11.120 -16.316   1.567
  134   2HG   GLU  20          1HG       GLU  20 -10.010 -15.960   2.891
  135    H    LEU  21           H        LEU  21  -8.176 -12.909   1.420
  136    HA   LEU  21           HA       LEU  21  -7.101 -11.608  -0.868
  137   1HB   LEU  21          2HB       LEU  21  -9.373 -10.737  -1.044
  138   2HB   LEU  21          1HB       LEU  21  -9.351 -10.266   0.641
  139    HG   LEU  21           HG       LEU  21  -7.543  -8.632   0.114
  140   1HD1  LEU  21          1HD1      LEU  21  -8.175  -9.326  -2.749
  141   2HD1  LEU  21          2HD1      LEU  21  -6.682  -9.729  -1.900
  142   3HD1  LEU  21          3HD1      LEU  21  -7.102  -8.040  -2.191
  143   1HD2  LEU  21          1HD2      LEU  21 -10.118  -8.335  -1.419
  144   2HD2  LEU  21          2HD2      LEU  21  -9.016  -7.022  -1.014
  145   3HD2  LEU  21          3HD2      LEU  21  -9.845  -7.903   0.268
  146    H    VAL  22           H        VAL  22  -5.414 -10.286  -0.320
  147    HA   VAL  22           HA       VAL  22  -5.212  -9.588   2.521
  148    HB   VAL  22           HB       VAL  22  -3.222 -10.907   0.787
  149   1HG1  VAL  22          1HG1      VAL  22  -2.431  -8.558   2.515
  150   2HG1  VAL  22          2HG1      VAL  22  -2.090  -8.799   0.803
  151   3HG1  VAL  22          3HG1      VAL  22  -1.305  -9.818   2.010
  152   1HG2  VAL  22          1HG2      VAL  22  -4.144 -11.938   2.770
  153   2HG2  VAL  22          2HG2      VAL  22  -3.550 -10.612   3.768
  154   3HG2  VAL  22          3HG2      VAL  22  -2.411 -11.689   2.962
  155    H    GLU  23           H        GLU  23  -5.227  -7.464   2.873
  156    HA   GLU  23           HA       GLU  23  -5.056  -5.757   0.496
  157   1HB   GLU  23          2HB       GLU  23  -6.391  -5.264   3.154
  158   2HB   GLU  23          1HB       GLU  23  -6.331  -4.113   1.827
  159   1HG   GLU  23          2HG       GLU  23  -7.583  -5.709   0.432
  160   2HG   GLU  23          1HG       GLU  23  -7.702  -6.789   1.823
  161    H    ILE  24           H        ILE  24  -4.006  -3.882   0.482
  162    HA   ILE  24           HA       ILE  24  -2.530  -2.962   2.844
  163    HB   ILE  24           HB       ILE  24  -1.519  -2.880  -0.022
  164   1HG1  ILE  24          2HG1      ILE  24  -1.323  -5.136   0.986
  165   2HG1  ILE  24          1HG1      ILE  24   0.249  -4.407   0.663
  166   1HG2  ILE  24          1HG2      ILE  24  -0.239  -1.893   2.519
  167   2HG2  ILE  24          2HG2      ILE  24  -0.879  -0.902   1.207
  168   3HG2  ILE  24          3HG2      ILE  24   0.531  -1.928   0.932
  169   1HD1  ILE  24          1HD1      ILE  24   0.400  -3.788   3.055
  170   2HD1  ILE  24          2HD1      ILE  24   0.293  -5.527   2.791
  171   3HD1  ILE  24          3HD1      ILE  24  -1.126  -4.630   3.340
  172    H    GLN  25           H        GLN  25  -2.893  -0.728   3.163
  173    HA   GLN  25           HA       GLN  25  -3.947   0.790   0.904
  174   1HB   GLN  25          2HB       GLN  25  -5.960   0.063   1.863
  175   2HB   GLN  25          1HB       GLN  25  -5.406   0.371   3.509
  176   1HG   GLN  25          2HG       GLN  25  -5.495   2.691   1.710
  177   2HG   GLN  25          1HG       GLN  25  -7.053   1.963   2.071
  178   1HE2  GLN  25          1HE2      GLN  25  -4.272   2.229   4.293
  179   2HE2  GLN  25          2HE2      GLN  25  -5.084   3.266   5.416
  180    H    LEU  26           H        LEU  26  -3.394   2.869   0.884
  181    HA   LEU  26           HA       LEU  26  -2.253   3.918   3.346
  182   1HB   LEU  26          2HB       LEU  26  -1.475   4.411   0.502
  183   2HB   LEU  26          1HB       LEU  26  -1.229   5.673   1.686
  184    HG   LEU  26           HG       LEU  26   0.815   4.445   1.359
  185   1HD1  LEU  26          1HD1      LEU  26  -0.474   3.888   4.015
  186   2HD1  LEU  26          2HD1      LEU  26   0.486   5.302   3.563
  187   3HD1  LEU  26          3HD1      LEU  26   1.249   3.715   3.680
  188   1HD2  LEU  26          1HD2      LEU  26   1.003   2.075   1.959
  189   2HD2  LEU  26          2HD2      LEU  26  -0.077   2.333   0.587
  190   3HD2  LEU  26          3HD2      LEU  26  -0.744   2.008   2.187
  191    HA   PRO  27           HA       PRO  27  -5.568   6.847   3.146
  192   1HB   PRO  27          2HB       PRO  27  -4.768   8.558   5.002
  193   2HB   PRO  27          1HB       PRO  27  -5.183   6.896   5.452
  194   1HG   PRO  27          2HG       PRO  27  -2.464   8.088   4.963
  195   2HG   PRO  27          1HG       PRO  27  -2.999   7.058   6.308
  196   1HD   PRO  27          2HD       PRO  27  -1.660   6.120   4.129
  197   2HD   PRO  27          1HD       PRO  27  -2.812   5.141   5.057
  198    H    SER  28           H        SER  28  -2.786   7.194   1.679
  199    HA   SER  28           HA       SER  28  -1.866   8.609   0.217
  200   1HB   SER  28          2HB       SER  28  -4.287   9.032  -0.449
  201   2HB   SER  28          1HB       SER  28  -4.191  10.476   0.568
  202    HG   SER  28           HG       SER  28  -2.454   9.889  -1.613
  203    H    ASN  29           H        ASN  29  -3.227  10.268   2.995
  204    HA   ASN  29           HA       ASN  29  -2.645  12.204   4.043
  205   1HB   ASN  29          2HB       ASN  29  -0.167  12.166   4.768
  206   2HB   ASN  29          1HB       ASN  29  -1.251  10.959   5.391
  207   1HD2  ASN  29          1HD2      ASN  29  -1.061   8.828   4.637
  208   2HD2  ASN  29          2HD2      ASN  29   0.392   8.262   3.886
  209    HA   PRO  30           HA       PRO  30  -1.495  14.145   0.098
  210   1HB   PRO  30          2HB       PRO  30  -3.326  16.238   1.106
  211   2HB   PRO  30          1HB       PRO  30  -3.359  15.353  -0.428
  212   1HG   PRO  30          2HG       PRO  30  -5.156  14.821   1.458
  213   2HG   PRO  30          1HG       PRO  30  -4.421  13.509   0.518
  214   1HD   PRO  30          2HD       PRO  30  -3.718  14.453   3.276
  215   2HD   PRO  30          1HD       PRO  30  -3.990  12.795   2.691
  216    H    THR  31           H        THR  31   0.495  14.934   0.217
  217    HA   THR  31           HA       THR  31   0.892  17.422   1.695
  218    HB   THR  31           HB       THR  31   1.639  15.952   3.342
  219    HG1  THR  31           1HG      THR  31   3.763  16.466   3.519
  220   1HG2  THR  31          1HG2      THR  31   1.594  13.884   1.960
  221   2HG2  THR  31          2HG2      THR  31   3.011  13.989   3.008
  222   3HG2  THR  31          3HG2      THR  31   3.163  14.345   1.287
  223    H    THR  32           H        THR  32   1.659  18.853   0.320
  224    HA   THR  32           HA       THR  32   3.050  19.893  -1.164
  225    HB   THR  32           HB       THR  32   4.536  17.260  -1.236
  226    HG1  THR  32           1HG      THR  32   4.493  18.353   0.811
  227   1HG2  THR  32          1HG2      THR  32   5.387  19.989  -2.212
  228   2HG2  THR  32          2HG2      THR  32   5.000  18.595  -3.223
  229   3HG2  THR  32          3HG2      THR  32   6.405  18.549  -2.156
  230    H    GLY  33           H        GLY  33   2.110  16.648  -2.021
  231   1HA   GLY  33          2HA       GLY  33   0.749  16.987  -4.365
  232   2HA   GLY  33          1HA       GLY  33   2.446  16.955  -4.836
  233    H    PHE  34           H        PHE  34   3.011  15.021  -5.473
  234    HA   PHE  34           HA       PHE  34   3.653  12.838  -5.279
  235   1HB   PHE  34          2HB       PHE  34   2.797  13.106  -2.389
  236   2HB   PHE  34          1HB       PHE  34   3.889  11.909  -3.065
  237    HD1  PHE  34           1HD      PHE  34   4.512  13.605  -0.712
  238    HD2  PHE  34           2HD      PHE  34   5.201  14.249  -4.859
  239    HE1  PHE  34           1HE      PHE  34   6.416  15.060  -0.167
  240    HE2  PHE  34           2HE      PHE  34   7.106  15.702  -4.320
  241    HZ   PHE  34           HZ       PHE  34   7.720  16.110  -1.971
  242    H    ALA  35           H        ALA  35   2.844  10.655  -4.481
  243    HA   ALA  35           HA       ALA  35   0.190  10.232  -3.662
  244   1HB   ALA  35          1HB       ALA  35  -0.359  10.845  -5.986
  245   2HB   ALA  35          2HB       ALA  35  -0.678   9.135  -5.698
  246   3HB   ALA  35          3HB       ALA  35   0.768   9.624  -6.581
  247    H    TRP  36           H        TRP  36  -0.056   7.994  -3.086
  248    HA   TRP  36           HA       TRP  36   2.495   6.699  -2.779
  249   1HB   TRP  36          2HB       TRP  36  -0.253   5.722  -1.991
  250   2HB   TRP  36          1HB       TRP  36   1.262   4.895  -1.635
  251    HD1  TRP  36           HD       TRP  36  -0.853   7.861  -0.467
  252    HE1  TRP  36           1HE      TRP  36   0.046   8.614   1.810
  253    HE3  TRP  36           3HE      TRP  36   3.423   5.072  -0.316
  254    HZ2  TRP  36           2HZ      TRP  36   2.242   8.081   3.475
  255    HZ3  TRP  36           3HZ      TRP  36   4.884   5.264   1.652
  256    HH2  TRP  36           HH       TRP  36   4.305   6.742   3.515
  257    H    TYR  37           H        TYR  37   3.244   6.050  -4.704
  258    HA   TYR  37           HA       TYR  37   1.766   3.858  -6.004
  259   1HB   TYR  37          2HB       TYR  37   4.087   5.576  -6.903
  260   2HB   TYR  37          1HB       TYR  37   3.696   4.059  -7.698
  261    HD1  TYR  37           1HD      TYR  37   2.584   7.530  -7.108
  262    HD2  TYR  37           2HD      TYR  37   1.767   3.828  -9.063
  263    HE1  TYR  37           1HE      TYR  37   0.922   8.652  -8.531
  264    HE2  TYR  37           2HE      TYR  37   0.102   4.948 -10.491
  265    HH   TYR  37           HH       TYR  37  -1.137   6.834 -10.746
  266    H    PHE  38           H        PHE  38   3.469   2.026  -6.683
  267    HA   PHE  38           HA       PHE  38   4.982   1.239  -4.434
  268   1HB   PHE  38          2HB       PHE  38   4.507   0.249  -7.125
  269   2HB   PHE  38          1HB       PHE  38   6.161  -0.001  -6.594
  270    HD1  PHE  38           1HD      PHE  38   2.715  -1.008  -6.244
  271    HD2  PHE  38           2HD      PHE  38   6.593  -1.302  -4.521
  272    HE1  PHE  38           1HE      PHE  38   1.990  -2.975  -4.951
  273    HE2  PHE  38           2HE      PHE  38   5.879  -3.261  -3.231
  274    HZ   PHE  38           HZ       PHE  38   3.515  -4.053  -3.414
  275    H    GLU  39           H        GLU  39   6.279   2.027  -7.657
  276    HA   GLU  39           HA       GLU  39   8.126   3.892  -6.359
  277   1HB   GLU  39          2HB       GLU  39   9.987   3.099  -7.743
  278   2HB   GLU  39          1HB       GLU  39   9.380   1.832  -6.690
  279   1HG   GLU  39          2HG       GLU  39   8.091   0.935  -8.612
  280   2HG   GLU  39          1HG       GLU  39   8.885   2.128  -9.639
  281    H    GLY  40           H        GLY  40   5.650   3.761  -8.279
  282   1HA   GLY  40          2HA       GLY  40   5.077   5.875  -9.347
  283   2HA   GLY  40          1HA       GLY  40   6.709   5.922  -9.990
  284    H    GLY  41           H        GLY  41   3.525   5.224 -10.650
  285   1HA   GLY  41          2HA       GLY  41   2.486   4.482 -12.556
  286   2HA   GLY  41          1HA       GLY  41   4.061   4.482 -13.330
  287    H    THR  42           H        THR  42   4.213   2.595 -10.594
  288    HA   THR  42           HA       THR  42   3.430   0.158 -11.998
  289    HB   THR  42           HB       THR  42   5.564  -0.880 -11.010
  290    HG1  THR  42           1HG      THR  42   7.195   0.456 -10.566
  291   1HG2  THR  42          1HG2      THR  42   6.785  -0.426 -13.088
  292   2HG2  THR  42          2HG2      THR  42   5.680   0.901 -13.445
  293   3HG2  THR  42          3HG2      THR  42   5.080  -0.758 -13.390
  294    H    LYS  43           H        LYS  43   2.748  -1.469 -10.776
  295    HA   LYS  43           HA       LYS  43   3.535  -1.517  -7.980
  296   1HB   LYS  43          2HB       LYS  43   1.289  -2.146  -7.246
  297   2HB   LYS  43          1HB       LYS  43   1.337  -0.515  -7.878
  298   1HG   LYS  43          2HG       LYS  43   0.445  -2.856  -9.538
  299   2HG   LYS  43          1HG       LYS  43  -0.656  -1.962  -8.492
  300   1HD   LYS  43          2HD       LYS  43  -0.639  -0.112  -9.825
  301   2HD   LYS  43          1HD       LYS  43   1.014  -0.394 -10.381
  302   1HE   LYS  43          2HE       LYS  43   0.246  -2.209 -11.803
  303   2HE   LYS  43          1HE       LYS  43  -1.403  -1.999 -11.212
  304   1HZ   LYS  43          1HZ       LYS  43  -0.419   0.462 -12.193
  305   2HZ   LYS  43          2HZ       LYS  43  -1.743  -0.449 -12.736
  306   3HZ   LYS  43          3HZ       LYS  43  -0.197  -0.740 -13.371
  307    H    GLU  44           H        GLU  44   4.329  -3.450  -7.496
  308    HA   GLU  44           HA       GLU  44   3.252  -5.791  -8.913
  309   1HB   GLU  44          2HB       GLU  44   5.496  -6.793  -8.913
  310   2HB   GLU  44          1HB       GLU  44   5.454  -5.297  -9.832
  311   1HG   GLU  44          2HG       GLU  44   6.348  -5.317  -6.977
  312   2HG   GLU  44          1HG       GLU  44   7.450  -5.760  -8.277
  313    H    SER  45           H        SER  45   3.027  -7.655  -7.742
  314    HA   SER  45           HA       SER  45   3.427  -7.386  -4.825
  315   1HB   SER  45          2HB       SER  45   1.055  -7.616  -5.548
  316   2HB   SER  45          1HB       SER  45   1.455  -9.154  -6.310
  317    HG   SER  45           HG       SER  45   1.564 -10.097  -4.412
  318    HA   PRO  46           HA       PRO  46   6.465 -10.624  -5.231
  319   1HB   PRO  46          2HB       PRO  46   5.726 -11.262  -2.435
  320   2HB   PRO  46          1HB       PRO  46   7.301 -10.830  -3.109
  321   1HG   PRO  46          2HG       PRO  46   5.925  -9.104  -1.603
  322   2HG   PRO  46          1HG       PRO  46   6.871  -8.555  -3.000
  323   1HD   PRO  46          2HD       PRO  46   3.917  -8.971  -2.751
  324   2HD   PRO  46          1HD       PRO  46   4.799  -7.666  -3.571
  325    H    ASN  47           H        ASN  47   6.197 -12.553  -6.094
  326    HA   ASN  47           HA       ASN  47   5.497 -14.660  -6.512
  327   1HB   ASN  47          2HB       ASN  47   4.082 -14.344  -3.885
  328   2HB   ASN  47          1HB       ASN  47   3.988 -15.818  -4.837
  329   1HD2  ASN  47          1HD2      ASN  47   5.115 -15.319  -2.177
  330   2HD2  ASN  47          2HD2      ASN  47   6.762 -15.847  -2.263
  331    H    GLU  48           H        GLU  48   4.064 -12.301  -7.525
  332    HA   GLU  48           HA       GLU  48   1.313 -13.164  -7.695
  333   1HB   GLU  48          2HB       GLU  48   0.960 -11.211  -9.097
  334   2HB   GLU  48          1HB       GLU  48   1.860 -10.778  -7.652
  335   1HG   GLU  48          2HG       GLU  48   3.876 -10.546  -8.859
  336   2HG   GLU  48          1HG       GLU  48   3.179 -11.295 -10.296
  337    H    SER  49           H        SER  49   2.826 -15.208  -8.517
  338    HA   SER  49           HA       SER  49   3.295 -15.187 -11.358
  339   1HB   SER  49          2HB       SER  49   3.304 -17.630  -9.601
  340   2HB   SER  49          1HB       SER  49   4.287 -17.291 -11.026
  341    HG   SER  49           HG       SER  49   5.056 -15.427  -9.580
  342    H    MET  50           H        MET  50   0.693 -15.944  -9.296
  343    HA   MET  50           HA       MET  50  -0.847 -17.020 -11.541
  344   1HB   MET  50          2HB       MET  50  -1.920 -18.657  -9.960
  345   2HB   MET  50          1HB       MET  50  -0.258 -19.000 -10.405
  346   1HG   MET  50          2HG       MET  50   0.517 -18.110  -8.278
  347   2HG   MET  50          1HG       MET  50  -1.142 -17.701  -7.835
  348   1HE   MET  50          1HE       MET  50  -0.105 -20.713  -5.484
  349   2HE   MET  50          2HE       MET  50  -0.616 -19.025  -5.530
  350   3HE   MET  50          3HE       MET  50   0.980 -19.481  -6.127
  351    H    PHE  51           H        PHE  51  -0.725 -15.632  -8.371
  352    HA   PHE  51           HA       PHE  51  -3.417 -14.526  -8.663
  353   1HB   PHE  51          2HB       PHE  51  -1.704 -15.329  -6.359
  354   2HB   PHE  51          1HB       PHE  51  -2.809 -13.981  -6.111
  355    HD1  PHE  51           1HD      PHE  51  -2.834 -17.409  -7.591
  356    HD2  PHE  51           2HD      PHE  51  -4.901 -14.482  -5.285
  357    HE1  PHE  51           1HE      PHE  51  -4.657 -19.012  -7.188
  358    HE2  PHE  51           2HE      PHE  51  -6.724 -16.084  -4.881
  359    HZ   PHE  51           HZ       PHE  51  -6.658 -18.298  -5.868
  360    H    THR  52           H        THR  52  -3.474 -12.138  -7.595
  361    HA   THR  52           HA       THR  52  -1.142 -10.655  -8.448
  362    HB   THR  52           HB       THR  52  -2.360 -11.340 -10.564
  363    HG1  THR  52           1HG      THR  52  -1.072  -9.718 -11.020
  364   1HG2  THR  52          1HG2      THR  52  -4.654 -10.999  -9.805
  365   2HG2  THR  52          2HG2      THR  52  -4.304  -9.985 -11.205
  366   3HG2  THR  52          3HG2      THR  52  -4.340  -9.277  -9.591
  367    H    VAL  53           H        VAL  53  -1.562  -8.273  -8.487
  368    HA   VAL  53           HA       VAL  53  -3.169  -7.566  -6.135
  369    HB   VAL  53           HB       VAL  53  -0.844  -7.069  -5.834
  370   1HG1  VAL  53          1HG1      VAL  53   0.415  -5.613  -7.359
  371   2HG1  VAL  53          2HG1      VAL  53  -0.971  -5.575  -8.448
  372   3HG1  VAL  53          3HG1      VAL  53  -0.126  -7.094  -8.150
  373   1HG2  VAL  53          1HG2      VAL  53  -2.280  -4.508  -6.528
  374   2HG2  VAL  53          2HG2      VAL  53  -0.846  -4.646  -5.511
  375   3HG2  VAL  53          3HG2      VAL  53  -2.372  -5.359  -4.986
  376    H    GLU  54           H        GLU  54  -4.675  -5.972  -6.183
  377    HA   GLU  54           HA       GLU  54  -5.110  -4.505  -8.706
  378   1HB   GLU  54          2HB       GLU  54  -7.486  -4.282  -7.948
  379   2HB   GLU  54          1HB       GLU  54  -7.002  -5.933  -8.303
  380   1HG   GLU  54          2HG       GLU  54  -7.466  -6.611  -6.242
  381   2HG   GLU  54          1HG       GLU  54  -6.570  -5.275  -5.522
  382    H    ASN  55           H        ASN  55  -5.341  -2.285  -8.585
  383    HA   ASN  55           HA       ASN  55  -4.549  -1.157  -5.975
  384   1HB   ASN  55          2HB       ASN  55  -3.429   0.629  -7.204
  385   2HB   ASN  55          1HB       ASN  55  -2.824  -0.945  -7.703
  386   1HD2  ASN  55          1HD2      ASN  55  -3.263  -1.694  -9.772
  387   2HD2  ASN  55          2HD2      ASN  55  -3.872  -0.653 -11.018
  388    H    LYS  56           H        LYS  56  -5.306   0.998  -5.457
  389    HA   LYS  56           HA       LYS  56  -7.372   2.226  -7.041
  390   1HB   LYS  56          2HB       LYS  56  -8.990   2.293  -5.124
  391   2HB   LYS  56          1HB       LYS  56  -8.838   0.722  -5.882
  392   1HG   LYS  56          2HG       LYS  56  -7.309   1.455  -3.421
  393   2HG   LYS  56          1HG       LYS  56  -8.985   0.919  -3.332
  394   1HD   LYS  56          2HD       LYS  56  -6.749  -0.646  -4.608
  395   2HD   LYS  56          1HD       LYS  56  -7.327  -0.873  -2.956
  396   1HE   LYS  56          2HE       LYS  56  -8.376  -2.533  -4.230
  397   2HE   LYS  56          1HE       LYS  56  -9.606  -1.313  -3.938
  398   1HZ   LYS  56          1HZ       LYS  56  -9.616  -0.665  -6.130
  399   2HZ   LYS  56          2HZ       LYS  56  -9.311  -2.328  -6.293
  400   3HZ   LYS  56          3HZ       LYS  56  -8.044  -1.216  -6.434
  401    H    TYR  57           H        TYR  57  -6.905   4.374  -6.930
  402    HA   TYR  57           HA       TYR  57  -5.717   5.323  -4.409
  403   1HB   TYR  57          2HB       TYR  57  -4.934   6.577  -6.976
  404   2HB   TYR  57          1HB       TYR  57  -4.090   6.581  -5.440
  405    HD1  TYR  57           1HD      TYR  57  -3.585   5.594  -8.623
  406    HD2  TYR  57           2HD      TYR  57  -3.749   3.867  -4.732
  407    HE1  TYR  57           1HE      TYR  57  -2.170   3.733  -9.388
  408    HE2  TYR  57           2HE      TYR  57  -2.326   2.014  -5.485
  409    HH   TYR  57           HH       TYR  57  -1.690   0.895  -7.540
  410    H    PHE  58           H        PHE  58  -7.255   6.529  -3.509
  411    HA   PHE  58           HA       PHE  58  -8.684   8.403  -5.257
  412   1HB   PHE  58          2HB       PHE  58  -9.902   6.301  -4.272
  413   2HB   PHE  58          1HB       PHE  58  -9.957   7.272  -2.797
  414    HD1  PHE  58           1HD      PHE  58 -11.694   8.762  -2.508
  415    HD2  PHE  58           2HD      PHE  58 -10.655   7.454  -6.411
  416    HE1  PHE  58           1HE      PHE  58 -13.635   9.985  -3.415
  417    HE2  PHE  58           2HE      PHE  58 -12.603   8.668  -7.342
  418    HZ   PHE  58           HZ       PHE  58 -14.089   9.936  -5.836
  419    HA   PRO  59           HA       PRO  59  -6.792  11.295  -2.275
  420   1HB   PRO  59          2HB       PRO  59  -8.102  13.096  -4.264
  421   2HB   PRO  59          1HB       PRO  59  -6.478  13.180  -3.566
  422   1HG   PRO  59          2HG       PRO  59  -6.758  12.326  -6.043
  423   2HG   PRO  59          1HG       PRO  59  -5.670  11.455  -4.936
  424   1HD   PRO  59          2HD       PRO  59  -8.479  10.758  -5.756
  425   2HD   PRO  59          1HD       PRO  59  -7.046   9.709  -5.669
  426    HA   PRO  60           HA       PRO  60  -9.973  12.463   0.467
  427   1HB   PRO  60          2HB       PRO  60  -9.566  15.345  -0.053
  428   2HB   PRO  60          1HB       PRO  60  -9.528  14.449   1.466
  429   1HG   PRO  60          2HG       PRO  60  -7.278  15.284   0.262
  430   2HG   PRO  60          1HG       PRO  60  -7.356  13.789   1.203
  431   1HD   PRO  60          2HD       PRO  60  -7.184  14.176  -1.727
  432   2HD   PRO  60          1HD       PRO  60  -6.652  12.811  -0.727
  433    H    ASP  61           H        ASP  61 -11.631  14.334   0.860
  434    HA   ASP  61           HA       ASP  61 -13.345  15.037  -1.293
  435   1HB   ASP  61          2HB       ASP  61 -13.635  12.505  -1.150
  436   2HB   ASP  61          1HB       ASP  61 -14.234  12.744   0.491
  437    H    SER  62           H        SER  62 -15.723  14.953   0.287
  438    HA   SER  62           HA       SER  62 -14.961  16.601   2.562
  439   1HB   SER  62          2HB       SER  62 -17.413  17.134   2.674
  440   2HB   SER  62          1HB       SER  62 -16.644  17.620   1.164
  441    HG   SER  62           HG       SER  62 -17.658  16.016   0.095
  442    H    LYS  63           H        LYS  63 -16.820  13.714   1.702
  443    HA   LYS  63           HA       LYS  63 -16.850  13.013   4.562
  444   1HB   LYS  63          2HB       LYS  63 -18.911  11.676   4.033
  445   2HB   LYS  63          1HB       LYS  63 -19.091  13.418   3.920
  446   1HG   LYS  63          2HG       LYS  63 -20.247  12.525   2.082
  447   2HG   LYS  63          1HG       LYS  63 -18.741  13.166   1.431
  448   1HD   LYS  63          2HD       LYS  63 -19.188  11.018   0.432
  449   2HD   LYS  63          1HD       LYS  63 -17.777  10.886   1.500
  450   1HE   LYS  63          2HE       LYS  63 -19.202   9.936   3.249
  451   2HE   LYS  63          1HE       LYS  63 -20.611  10.079   2.201
  452   1HZ   LYS  63          1HZ       LYS  63 -19.449   8.574   0.623
  453   2HZ   LYS  63          2HZ       LYS  63 -19.836   7.852   2.107
  454   3HZ   LYS  63          3HZ       LYS  63 -18.242   8.334   1.795
  455    H    LEU  64           H        LEU  64 -16.020  11.935   1.362
  456    HA   LEU  64           HA       LEU  64 -15.955   9.171   1.691
  457   1HB   LEU  64          2HB       LEU  64 -15.411  10.644  -0.383
  458   2HB   LEU  64          1HB       LEU  64 -13.771  10.643   0.237
  459    HG   LEU  64           HG       LEU  64 -14.174   8.978  -1.565
  460   1HD1  LEU  64          1HD1      LEU  64 -13.432   7.805   1.108
  461   2HD1  LEU  64          2HD1      LEU  64 -12.347   8.621  -0.017
  462   3HD1  LEU  64          3HD1      LEU  64 -13.086   7.084  -0.464
  463   1HD2  LEU  64          1HD2      LEU  64 -15.460   6.969  -1.092
  464   2HD2  LEU  64          2HD2      LEU  64 -16.479   8.405  -0.996
  465   3HD2  LEU  64          3HD2      LEU  64 -15.921   7.620   0.480
  466    H    LEU  65           H        LEU  65 -13.251  11.415   2.084
  467    HA   LEU  65           HA       LEU  65 -12.485   9.976   4.484
  468   1HB   LEU  65          2HB       LEU  65 -11.116   9.406   2.296
  469   2HB   LEU  65          1HB       LEU  65 -10.337  10.934   2.639
  470    HG   LEU  65           HG       LEU  65  -8.991   9.122   3.483
  471   1HD1  LEU  65          1HD1      LEU  65  -8.950  11.158   4.791
  472   2HD1  LEU  65          2HD1      LEU  65  -8.788   9.750   5.841
  473   3HD1  LEU  65          3HD1      LEU  65 -10.328  10.603   5.739
  474   1HD2  LEU  65          1HD2      LEU  65  -9.789   7.608   5.225
  475   2HD2  LEU  65          2HD2      LEU  65 -10.736   7.445   3.748
  476   3HD2  LEU  65          3HD2      LEU  65 -11.394   8.328   5.126
  477    H    GLY  66           H        GLY  66 -11.423  12.635   2.466
  478   1HA   GLY  66          2HA       GLY  66 -11.778  14.913   2.784
  479   2HA   GLY  66          1HA       GLY  66 -12.439  14.559   4.367
  480    H    ALA  67           H        ALA  67 -10.631  13.516   5.843
  481    HA   ALA  67           HA       ALA  67  -8.754  15.490   6.461
  482   1HB   ALA  67          1HB       ALA  67  -9.492  13.778   8.044
  483   2HB   ALA  67          2HB       ALA  67  -7.733  13.810   7.915
  484   3HB   ALA  67          3HB       ALA  67  -8.654  12.544   7.100
  485    H    GLY  68           H        GLY  68  -8.278  12.357   4.933
  486   1HA   GLY  68          2HA       GLY  68  -6.069  13.504   3.389
  487   2HA   GLY  68          1HA       GLY  68  -5.866  11.959   4.209
  488    H    GLY  69           H        GLY  69  -5.445  11.198   2.000
  489   1HA   GLY  69          2HA       GLY  69  -7.866  10.921   0.385
  490   2HA   GLY  69          1HA       GLY  69  -6.228  10.547  -0.139
  491    H    THR  70           H        THR  70  -6.746   8.508  -0.825
  492    HA   THR  70           HA       THR  70  -6.619   6.425   1.084
  493    HB   THR  70           HB       THR  70  -8.866   5.479  -0.148
  494    HG1  THR  70           1HG      THR  70  -9.004   8.015  -0.625
  495   1HG2  THR  70          1HG2      THR  70  -8.745   6.976   2.472
  496   2HG2  THR  70          2HG2      THR  70  -8.266   5.294   2.223
  497   3HG2  THR  70          3HG2      THR  70  -9.953   5.774   2.012
  498    H    GLU  71           H        GLU  71  -4.837   5.958  -0.182
  499    HA   GLU  71           HA       GLU  71  -5.409   4.939  -2.888
  500   1HB   GLU  71          2HB       GLU  71  -2.747   5.910  -1.824
  501   2HB   GLU  71          1HB       GLU  71  -3.134   5.487  -3.488
  502   1HG   GLU  71          2HG       GLU  71  -4.715   7.363  -3.590
  503   2HG   GLU  71          1HG       GLU  71  -4.286   7.793  -1.934
  504    H    HIS  72           H        HIS  72  -5.595   2.790  -2.762
  505    HA   HIS  72           HA       HIS  72  -4.036   1.411  -0.678
  506   1HB   HIS  72          2HB       HIS  72  -6.377   0.025  -1.847
  507   2HB   HIS  72          1HB       HIS  72  -5.724  -0.019  -0.235
  508    HD1  HIS  72           1HD      HIS  72  -8.190   0.013   0.555
  509    HD2  HIS  72           2HD      HIS  72  -6.882   3.489  -1.266
  510    HE1  HIS  72           1HE      HIS  72  -9.948   1.706   1.014
  511    HE2  HIS  72           2HE      HIS  72  -9.299   3.711  -0.354
  512    H    PHE  73           H        PHE  73  -3.623  -0.837  -1.076
  513    HA   PHE  73           HA       PHE  73  -3.296  -1.630  -3.881
  514   1HB   PHE  73          2HB       PHE  73  -1.230  -1.550  -1.689
  515   2HB   PHE  73          1HB       PHE  73  -1.049  -2.619  -3.079
  516    HD1  PHE  73           1HD      PHE  73  -0.325  -1.775  -5.176
  517    HD2  PHE  73           2HD      PHE  73  -1.283   0.907  -2.016
  518    HE1  PHE  73           1HE      PHE  73   0.675   0.074  -6.452
  519    HE2  PHE  73           2HE      PHE  73  -0.287   2.762  -3.290
  520    HZ   PHE  73           HZ       PHE  73   0.700   2.350  -5.502
  521    H    HIS  74           H        HIS  74  -4.678  -3.360  -3.938
  522    HA   HIS  74           HA       HIS  74  -4.797  -5.111  -1.560
  523   1HB   HIS  74          2HB       HIS  74  -6.699  -4.778  -3.890
  524   2HB   HIS  74          1HB       HIS  74  -6.873  -6.017  -2.662
  525    HD1  HIS  74           1HD      HIS  74  -9.263  -4.636  -2.656
  526    HD2  HIS  74           2HD      HIS  74  -5.972  -2.829  -0.855
  527    HE1  HIS  74           1HE      HIS  74 -10.208  -2.929  -1.074
  528    HE2  HIS  74           2HE      HIS  74  -8.210  -2.103   0.219
  529    H    VAL  75           H        VAL  75  -3.563  -6.890  -1.713
  530    HA   VAL  75           HA       VAL  75  -3.109  -7.928  -4.419
  531    HB   VAL  75           HB       VAL  75  -1.106  -8.965  -3.694
  532   1HG1  VAL  75          1HG1      VAL  75  -1.203  -6.261  -2.366
  533   2HG1  VAL  75          2HG1      VAL  75  -0.924  -6.553  -4.083
  534   3HG1  VAL  75          3HG1      VAL  75   0.250  -7.119  -2.891
  535   1HG2  VAL  75          1HG2      VAL  75  -1.770  -9.873  -1.588
  536   2HG2  VAL  75          2HG2      VAL  75  -1.910  -8.257  -0.884
  537   3HG2  VAL  75          3HG2      VAL  75  -0.321  -8.890  -1.341
  538    H    THR  76           H        THR  76  -4.099  -9.698  -4.996
  539    HA   THR  76           HA       THR  76  -5.111 -11.495  -2.902
  540    HB   THR  76           HB       THR  76  -5.730 -11.708  -5.851
  541    HG1  THR  76           1HG      THR  76  -6.433  -9.682  -4.213
  542   1HG2  THR  76          1HG2      THR  76  -7.259 -12.501  -3.369
  543   2HG2  THR  76          2HG2      THR  76  -6.370 -13.590  -4.434
  544   3HG2  THR  76          3HG2      THR  76  -7.799 -12.745  -5.031
  545    H    VAL  77           H        VAL  77  -3.455 -12.864  -2.423
  546    HA   VAL  77           HA       VAL  77  -2.393 -14.537  -4.511
  547    HB   VAL  77           HB       VAL  77  -0.860 -12.696  -4.764
  548   1HG1  VAL  77          1HG1      VAL  77  -1.180 -11.587  -2.626
  549   2HG1  VAL  77          2HG1      VAL  77   0.535 -11.878  -2.913
  550   3HG1  VAL  77          3HG1      VAL  77  -0.360 -12.909  -1.795
  551   1HG2  VAL  77          1HG2      VAL  77   1.270 -13.799  -4.267
  552   2HG2  VAL  77          2HG2      VAL  77   0.092 -14.931  -4.928
  553   3HG2  VAL  77          3HG2      VAL  77   0.434 -14.926  -3.197
  554    H    LYS  78           H        LYS  78  -2.064 -16.519  -3.735
  555    HA   LYS  78           HA       LYS  78  -1.560 -16.775  -0.872
  556   1HB   LYS  78          2HB       LYS  78  -2.762 -19.102  -1.263
  557   2HB   LYS  78          1HB       LYS  78  -3.649 -17.649  -0.849
  558   1HG   LYS  78          2HG       LYS  78  -4.894 -18.623  -2.559
  559   2HG   LYS  78          1HG       LYS  78  -3.988 -17.344  -3.366
  560   1HD   LYS  78          2HD       LYS  78  -3.966 -19.363  -4.709
  561   2HD   LYS  78          1HD       LYS  78  -2.342 -19.015  -4.118
  562   1HE   LYS  78          2HE       LYS  78  -2.683 -21.349  -3.858
  563   2HE   LYS  78          1HE       LYS  78  -2.789 -20.638  -2.248
  564   1HZ   LYS  78          1HZ       LYS  78  -5.240 -20.657  -2.513
  565   2HZ   LYS  78          2HZ       LYS  78  -4.549 -22.205  -2.508
  566   3HZ   LYS  78          3HZ       LYS  78  -5.046 -21.504  -3.973
  567    H    ALA  79           H        ALA  79   0.523 -17.170  -0.801
  568    HA   ALA  79           HA       ALA  79   1.509 -19.696  -1.651
  569   1HB   ALA  79          1HB       ALA  79   2.699 -17.260  -2.980
  570   2HB   ALA  79          2HB       ALA  79   1.715 -18.483  -3.784
  571   3HB   ALA  79          3HB       ALA  79   3.292 -18.915  -3.123
  572    H    ALA  80           H        ALA  80   3.298 -20.287  -0.485
  573    HA   ALA  80           HA       ALA  80   3.758 -18.887   1.920
  574   1HB   ALA  80          1HB       ALA  80   5.404 -20.590   2.406
  575   2HB   ALA  80          2HB       ALA  80   5.423 -21.094   0.715
  576   3HB   ALA  80          3HB       ALA  80   3.971 -21.328   1.690
  577    H    GLY  81           H        GLY  81   4.409 -16.816   1.386
  578   1HA   GLY  81          2HA       GLY  81   7.279 -16.529   1.001
  579   2HA   GLY  81          1HA       GLY  81   6.268 -15.804  -0.248
  580    H    THR  82           H        THR  82   7.917 -14.205   1.274
  581    HA   THR  82           HA       THR  82   6.062 -13.014   3.206
  582    HB   THR  82           HB       THR  82   8.834 -11.953   2.824
  583    HG1  THR  82           1HG      THR  82   9.740 -13.677   3.710
  584   1HG2  THR  82          1HG2      THR  82   7.011 -12.361   5.205
  585   2HG2  THR  82          2HG2      THR  82   7.312 -10.837   4.366
  586   3HG2  THR  82          3HG2      THR  82   8.613 -11.619   5.268
  587    H    HIS  83           H        HIS  83   5.244 -11.010   2.934
  588    HA   HIS  83           HA       HIS  83   5.486  -9.975   0.198
  589   1HB   HIS  83          2HB       HIS  83   3.216 -10.727   1.221
  590   2HB   HIS  83          1HB       HIS  83   3.338  -9.280   2.213
  591    HD1  HIS  83           1HD      HIS  83   3.624  -6.959   0.752
  592    HD2  HIS  83           2HD      HIS  83   1.963 -10.268  -1.130
  593    HE1  HIS  83           1HE      HIS  83   2.436  -6.045  -1.269
  594    HE2  HIS  83           2HE      HIS  83   1.563  -8.092  -2.478
  595    H    ALA  84           H        ALA  84   7.094  -8.523   0.230
  596    HA   ALA  84           HA       ALA  84   7.177  -6.550   2.400
  597   1HB   ALA  84          1HB       ALA  84   9.236  -7.225   0.295
  598   2HB   ALA  84          2HB       ALA  84   9.265  -7.751   1.976
  599   3HB   ALA  84          3HB       ALA  84   9.439  -6.041   1.584
  600    H    VAL  85           H        VAL  85   5.869  -4.917   1.925
  601    HA   VAL  85           HA       VAL  85   5.762  -4.002  -0.858
  602    HB   VAL  85           HB       VAL  85   3.633  -4.693  -0.078
  603   1HG1  VAL  85          1HG1      VAL  85   4.036  -4.631   2.282
  604   2HG1  VAL  85          2HG1      VAL  85   2.527  -3.818   1.857
  605   3HG1  VAL  85          3HG1      VAL  85   3.964  -2.868   2.247
  606   1HG2  VAL  85          1HG2      VAL  85   3.604  -2.718  -1.479
  607   2HG2  VAL  85          2HG2      VAL  85   3.757  -1.696  -0.051
  608   3HG2  VAL  85          3HG2      VAL  85   2.298  -2.658  -0.295
  609    H    ASN  86           H        ASN  86   7.098  -2.429  -1.204
  610    HA   ASN  86           HA       ASN  86   7.328  -0.229   0.741
  611   1HB   ASN  86          2HB       ASN  86   9.140  -1.053  -1.549
  612   2HB   ASN  86          1HB       ASN  86   9.339   0.436  -0.640
  613   1HD2  ASN  86          1HD2      ASN  86   8.409  -2.652   0.762
  614   2HD2  ASN  86          2HD2      ASN  86   9.860  -2.878   1.669
  615    H    LEU  87           H        LEU  87   5.780   1.200   0.274
  616    HA   LEU  87           HA       LEU  87   5.258   1.821  -2.552
  617   1HB   LEU  87          2HB       LEU  87   3.548   2.315  -0.110
  618   2HB   LEU  87          1HB       LEU  87   3.128   2.782  -1.750
  619    HG   LEU  87           HG       LEU  87   3.599  -0.079  -0.924
  620   1HD1  LEU  87          1HD1      LEU  87   1.707   0.788   0.316
  621   2HD1  LEU  87          2HD1      LEU  87   1.160  -0.301  -0.959
  622   3HD1  LEU  87          3HD1      LEU  87   1.013   1.444  -1.167
  623   1HD2  LEU  87          1HD2      LEU  87   3.899   0.430  -3.286
  624   2HD2  LEU  87          2HD2      LEU  87   2.282   1.133  -3.334
  625   3HD2  LEU  87          3HD2      LEU  87   2.486  -0.587  -2.998
  626    H    THR  88           H        THR  88   5.717   3.784  -3.314
  627    HA   THR  88           HA       THR  88   6.939   5.661  -1.421
  628    HB   THR  88           HB       THR  88   7.344   5.684  -4.420
  629    HG1  THR  88           1HG      THR  88   7.995   3.642  -3.860
  630   1HG2  THR  88          1HG2      THR  88   8.094   7.604  -2.942
  631   2HG2  THR  88          2HG2      THR  88   9.377   6.837  -3.871
  632   3HG2  THR  88          3HG2      THR  88   9.196   6.477  -2.156
  633    H    TYR  89           H        TYR  89   6.058   7.593  -1.125
  634    HA   TYR  89           HA       TYR  89   3.755   8.427  -2.725
  635   1HB   TYR  89          2HB       TYR  89   3.703   8.356  -0.188
  636   2HB   TYR  89          1HB       TYR  89   4.883   9.657  -0.190
  637    HD1  TYR  89           1HD      TYR  89   1.566   8.897  -1.718
  638    HD2  TYR  89           2HD      TYR  89   4.058  11.781   0.146
  639    HE1  TYR  89           1HE      TYR  89  -0.278  10.515  -1.776
  640    HE2  TYR  89           2HE      TYR  89   2.218  13.411   0.076
  641    HH   TYR  89           HH       TYR  89  -0.993  12.511  -0.668
  642    H    MET  90           H        MET  90   4.675   9.240  -4.602
  643    HA   MET  90           HA       MET  90   6.362  11.655  -4.273
  644   1HB   MET  90          2HB       MET  90   6.709  10.233  -6.800
  645   2HB   MET  90          1HB       MET  90   7.895  11.030  -5.794
  646   1HG   MET  90          2HG       MET  90   8.512   8.820  -5.846
  647   2HG   MET  90          1HG       MET  90   7.760   9.030  -4.278
  648   1HE   MET  90          1HE       MET  90   7.313   7.746  -7.921
  649   2HE   MET  90          2HE       MET  90   5.858   8.733  -7.739
  650   3HE   MET  90          3HE       MET  90   5.731   6.980  -7.860
  651    H    ARG  91           H        ARG  91   6.235  13.154  -6.007
  652    HA   ARG  91           HA       ARG  91   3.661  13.642  -6.960
  653   1HB   ARG  91          2HB       ARG  91   6.343  14.789  -7.377
  654   2HB   ARG  91          1HB       ARG  91   5.250  14.993  -8.733
  655   1HG   ARG  91          2HG       ARG  91   3.601  16.016  -7.182
  656   2HG   ARG  91          1HG       ARG  91   4.809  15.909  -5.900
  657   1HD   ARG  91          2HD       ARG  91   6.309  17.348  -7.170
  658   2HD   ARG  91          1HD       ARG  91   5.146  17.416  -8.493
  659    HE   ARG  91           HE       ARG  91   3.850  18.300  -6.190
  660   1HH1  ARG  91          1HH1      ARG  91   6.394  19.320  -8.372
  661   2HH1  ARG  91          2HH1      ARG  91   6.228  21.008  -7.980
  662   1HH2  ARG  91          1HH2      ARG  91   3.608  20.515  -5.699
  663   2HH2  ARG  91          2HH2      ARG  91   4.626  21.689  -6.475
  664    HA   PRO  92           HA       PRO  92   3.202  10.222  -9.668
  665   1HB   PRO  92          2HB       PRO  92   1.315  11.910 -11.120
  666   2HB   PRO  92          1HB       PRO  92   1.005  10.469 -10.154
  667   1HG   PRO  92          2HG       PRO  92   0.732  13.284  -9.397
  668   2HG   PRO  92          1HG       PRO  92   0.155  11.832  -8.558
  669   1HD   PRO  92          2HD       PRO  92   2.161  13.428  -7.653
  670   2HD   PRO  92          1HD       PRO  92   2.030  11.701  -7.271
  671    H    TRP  93           H        TRP  93   3.665  13.493 -10.987
  672    HA   TRP  93           HA       TRP  93   4.243  12.395 -13.616
  673   1HB   TRP  93          2HB       TRP  93   4.363  14.841 -14.259
  674   2HB   TRP  93          1HB       TRP  93   2.805  14.272 -13.669
  675    HD1  TRP  93           HD       TRP  93   5.709  16.567 -12.716
  676    HE1  TRP  93           1HE      TRP  93   4.971  18.076 -10.762
  677    HE3  TRP  93           3HE      TRP  93   1.229  14.365 -11.662
  678    HZ2  TRP  93           2HZ      TRP  93   2.756  18.292  -9.002
  679    HZ3  TRP  93           3HZ      TRP  93  -0.138  15.268  -9.834
  680    HH2  TRP  93           HH       TRP  93   0.606  17.194  -8.530
  681    H    THR  94           H        THR  94   6.113  12.824 -10.953
  682    HA   THR  94           HA       THR  94   8.508  12.829 -12.540
  683    HB   THR  94           HB       THR  94   8.306  15.200 -12.494
  684    HG1  THR  94           1HG      THR  94  10.412  14.696 -12.120
  685   1HG2  THR  94          1HG2      THR  94   6.699  15.483 -10.703
  686   2HG2  THR  94          2HG2      THR  94   8.109  16.502 -10.412
  687   3HG2  THR  94          3HG2      THR  94   7.905  15.001  -9.509
  688    H    GLY  95           H        GLY  95   7.625  13.557  -9.152
  689   1HA   GLY  95          2HA       GLY  95   8.016  12.327  -7.236
  690   2HA   GLY  95          1HA       GLY  95   8.611  11.021  -8.255
  691    HA   PRO  96           HA       PRO  96  12.248  13.877  -6.797
  692   1HB   PRO  96          2HB       PRO  96  11.082  14.716  -4.225
  693   2HB   PRO  96          1HB       PRO  96  11.956  15.681  -5.412
  694   1HG   PRO  96          2HG       PRO  96   9.325  15.991  -5.027
  695   2HG   PRO  96          1HG       PRO  96  10.049  16.140  -6.639
  696   1HD   PRO  96          2HD       PRO  96   8.584  13.819  -5.437
  697   2HD   PRO  96          1HD       PRO  96   8.443  14.516  -7.067
  698    H    SER  97           H        SER  97  13.000  11.742  -6.560
  699    HA   SER  97           HA       SER  97  12.385  10.025  -4.419
  700   1HB   SER  97          2HB       SER  97  14.988  10.190  -5.964
  701   2HB   SER  97          1HB       SER  97  14.406   8.808  -5.037
  702    HG   SER  97           HG       SER  97  13.531   9.807  -7.515
  703    H    HIS  98           H        HIS  98  14.491  12.743  -4.783
  704    HA   HIS  98           HA       HIS  98  15.966  12.638  -2.422
  705   1HB   HIS  98          2HB       HIS  98  16.433  14.333  -4.068
  706   2HB   HIS  98          1HB       HIS  98  14.803  14.980  -3.948
  707    HD1  HIS  98           1HD      HIS  98  14.298  16.598  -2.003
  708    HD2  HIS  98           2HD      HIS  98  18.190  15.106  -1.998
  709    HE1  HIS  98           1HE      HIS  98  15.568  18.000  -0.338
  710    HE2  HIS  98           2HE      HIS  98  17.877  16.985  -0.242
  711    H    ASP  99           H        ASP  99  12.559  13.374  -2.974
  712    HA   ASP  99           HA       ASP  99  12.335  14.212  -0.182
  713   1HB   ASP  99          2HB       ASP  99  10.931  14.947  -2.716
  714   2HB   ASP  99          1HB       ASP  99  10.075  15.078  -1.194
  715    H    SER 100           H        SER 100   9.497  13.497  -1.881
  716    HA   SER 100           HA       SER 100   7.790  12.059  -1.522
  717   1HB   SER 100          2HB       SER 100   8.350   9.690  -1.906
  718   2HB   SER 100          1HB       SER 100   9.160  10.756  -3.052
  719    HG   SER 100           HG       SER 100  10.823  10.529  -1.059
  720    H    GLU 101           H        GLU 101   7.014  10.042  -0.267
  721    HA   GLU 101           HA       GLU 101   8.462   9.537   2.231
  722   1HB   GLU 101          2HB       GLU 101   6.595  11.082   2.830
  723   2HB   GLU 101          1HB       GLU 101   5.454   9.936   2.134
  724   1HG   GLU 101          2HG       GLU 101   6.224   8.243   3.770
  725   2HG   GLU 101          1HG       GLU 101   7.253   9.468   4.503
  726    H    ARG 102           H        ARG 102   8.393   7.308   2.773
  727    HA   ARG 102           HA       ARG 102   6.954   5.710   0.764
  728   1HB   ARG 102          2HB       ARG 102   9.558   5.954   0.620
  729   2HB   ARG 102          1HB       ARG 102   9.566   4.804   1.948
  730   1HG   ARG 102          2HG       ARG 102   8.448   3.158   0.598
  731   2HG   ARG 102          1HG       ARG 102   8.246   4.321  -0.717
  732   1HD   ARG 102          2HD       ARG 102  10.756   4.512  -0.780
  733   2HD   ARG 102          1HD       ARG 102  10.814   3.147   0.332
  734    HE   ARG 102           HE       ARG 102   9.275   2.616  -2.044
  735   1HH1  ARG 102          1HH1      ARG 102  12.497   2.674  -0.663
  736   2HH1  ARG 102          2HH1      ARG 102  13.140   1.527  -1.801
  737   1HH2  ARG 102          1HH2      ARG 102  10.130   1.106  -3.563
  738   2HH2  ARG 102          2HH2      ARG 102  11.810   0.651  -3.455
  739    H    PHE 103           H        PHE 103   6.039   3.890   1.327
  740    HA   PHE 103           HA       PHE 103   5.708   3.317   4.187
  741   1HB   PHE 103          2HB       PHE 103   3.575   3.655   3.362
  742   2HB   PHE 103          1HB       PHE 103   3.987   3.088   1.753
  743    HD1  PHE 103           1HD      PHE 103   2.817   2.170   5.067
  744    HD2  PHE 103           2HD      PHE 103   3.938   0.710   1.229
  745    HE1  PHE 103           1HE      PHE 103   1.745   0.019   5.569
  746    HE2  PHE 103           2HE      PHE 103   2.871  -1.452   1.725
  747    HZ   PHE 103           HZ       PHE 103   1.771  -1.787   3.899
  748    H    THR 104           H        THR 104   5.717   1.083   4.846
  749    HA   THR 104           HA       THR 104   6.574  -0.925   2.995
  750    HB   THR 104           HB       THR 104   8.522   0.096   5.077
  751    HG1  THR 104           1HG      THR 104   8.240   0.688   2.539
  752   1HG2  THR 104          1HG2      THR 104   9.983  -1.758   4.383
  753   2HG2  THR 104          2HG2      THR 104   8.677  -2.396   3.382
  754   3HG2  THR 104          3HG2      THR 104   8.491  -2.328   5.136
  755    H    VAL 105           H        VAL 105   4.912  -2.285   3.747
  756    HA   VAL 105           HA       VAL 105   5.387  -3.038   6.565
  757    HB   VAL 105           HB       VAL 105   3.018  -2.401   6.099
  758   1HG1  VAL 105          1HG1      VAL 105   2.767  -3.260   3.860
  759   2HG1  VAL 105          2HG1      VAL 105   1.588  -4.014   4.933
  760   3HG1  VAL 105          3HG1      VAL 105   3.029  -4.905   4.437
  761   1HG2  VAL 105          1HG2      VAL 105   3.341  -5.290   6.876
  762   2HG2  VAL 105          2HG2      VAL 105   2.065  -4.179   7.377
  763   3HG2  VAL 105          3HG2      VAL 105   3.721  -3.931   7.929
  764    H    TYR 106           H        TYR 106   6.032  -4.969   7.079
  765    HA   TYR 106           HA       TYR 106   6.536  -6.878   4.909
  766   1HB   TYR 106          2HB       TYR 106   7.716  -6.597   7.671
  767   2HB   TYR 106          1HB       TYR 106   8.027  -7.979   6.631
  768    HD1  TYR 106           1HD      TYR 106   9.137  -7.513   4.369
  769    HD2  TYR 106           2HD      TYR 106   9.019  -4.676   7.533
  770    HE1  TYR 106           1HE      TYR 106  10.997  -6.285   3.333
  771    HE2  TYR 106           2HE      TYR 106  10.879  -3.444   6.509
  772    HH   TYR 106           HH       TYR 106  12.722  -3.831   4.969
  773    H    LEU 107           H        LEU 107   4.713  -7.995   4.739
  774    HA   LEU 107           HA       LEU 107   3.868  -9.416   7.149
  775   1HB   LEU 107          2HB       LEU 107   1.563  -9.356   6.470
  776   2HB   LEU 107          1HB       LEU 107   2.181  -7.736   6.573
  777    HG   LEU 107           HG       LEU 107   0.679  -7.827   4.747
  778   1HD1  LEU 107          1HD1      LEU 107   2.037  -7.174   2.849
  779   2HD1  LEU 107          2HD1      LEU 107   3.469  -7.830   3.644
  780   3HD1  LEU 107          3HD1      LEU 107   2.618  -6.457   4.353
  781   1HD2  LEU 107          1HD2      LEU 107   2.245 -10.154   3.658
  782   2HD2  LEU 107          2HD2      LEU 107   0.925  -9.327   2.834
  783   3HD2  LEU 107          3HD2      LEU 107   0.618 -10.202   4.333
  784    H    LYS 108           H        LYS 108   3.358 -11.618   6.855
  785    HA   LYS 108           HA       LYS 108   4.751 -12.637   4.479
  786   1HB   LYS 108          2HB       LYS 108   5.601 -13.214   6.770
  787   2HB   LYS 108          1HB       LYS 108   4.117 -14.122   7.030
  788   1HG   LYS 108          2HG       LYS 108   4.711 -15.411   4.930
  789   2HG   LYS 108          1HG       LYS 108   6.306 -14.667   5.056
  790   1HD   LYS 108          2HD       LYS 108   6.626 -15.603   7.261
  791   2HD   LYS 108          1HD       LYS 108   4.999 -16.283   7.238
  792   1HE   LYS 108          2HE       LYS 108   5.619 -17.716   5.359
  793   2HE   LYS 108          1HE       LYS 108   7.239 -17.017   5.355
  794   1HZ   LYS 108          1HZ       LYS 108   6.047 -18.466   7.653
  795   2HZ   LYS 108          2HZ       LYS 108   7.643 -17.906   7.524
  796   3HZ   LYS 108          3HZ       LYS 108   7.103 -19.167   6.527
  797    H    ALA 109           H        ALA 109   3.700 -13.737   2.977
  798    HA   ALA 109           HA       ALA 109   0.831 -14.127   3.418
  799   1HB   ALA 109          1HB       ALA 109   2.369 -13.764   0.852
  800   2HB   ALA 109          2HB       ALA 109   1.389 -12.540   1.662
  801   3HB   ALA 109          3HB       ALA 109   0.624 -13.973   0.976
  802    H    ASN 110           H        ASN 110  -0.182 -15.931   2.333
  803    HA   ASN 110           HA       ASN 110   1.002 -18.117   1.192
  804   1HB   ASN 110          2HB       ASN 110   1.039 -19.744   3.114
  805   2HB   ASN 110          1HB       ASN 110   2.319 -18.540   3.157
  806   1HD2  ASN 110          1HD2      ASN 110   2.267 -16.920   4.725
  807   2HD2  ASN 110          2HD2      ASN 110   1.265 -17.041   6.131
  Start of MODEL   10
    1    H    HIS   3           H        HIS   3  -7.365  -9.884   6.680
    2    HA   HIS   3           HA       HIS   3  -5.559  -8.679   7.339
    3   1HB   HIS   3          2HB       HIS   3  -3.990 -10.353   6.660
    4   2HB   HIS   3          1HB       HIS   3  -4.314 -10.037   4.952
    5    HD1  HIS   3           1HD      HIS   3  -3.169  -7.813   7.826
    6    HD2  HIS   3           2HD      HIS   3  -2.156  -8.794   3.903
    7    HE1  HIS   3           1HE      HIS   3  -1.322  -6.237   7.188
    8    HE2  HIS   3           2HE      HIS   3  -0.909  -6.685   4.741
    9    H    LYS   4           H        LYS   4  -5.125  -6.552   7.200
   10    HA   LYS   4           HA       LYS   4  -4.875  -5.295   4.599
   11   1HB   LYS   4          2HB       LYS   4  -6.440  -3.429   5.302
   12   2HB   LYS   4          1HB       LYS   4  -7.193  -4.954   4.858
   13   1HG   LYS   4          2HG       LYS   4  -7.456  -5.510   7.227
   14   2HG   LYS   4          1HG       LYS   4  -6.714  -3.969   7.666
   15   1HD   LYS   4          2HD       LYS   4  -8.517  -2.747   6.657
   16   2HD   LYS   4          1HD       LYS   4  -9.202  -4.224   5.979
   17   1HE   LYS   4          2HE       LYS   4 -10.443  -3.491   7.948
   18   2HE   LYS   4          1HE       LYS   4  -9.672  -5.053   8.219
   19   1HZ   LYS   4          1HZ       LYS   4  -7.948  -3.975   9.479
   20   2HZ   LYS   4          2HZ       LYS   4  -9.457  -3.532  10.116
   21   3HZ   LYS   4          3HZ       LYS   4  -8.591  -2.441   9.141
   22    H    VAL   5           H        VAL   5  -3.510  -3.563   4.596
   23    HA   VAL   5           HA       VAL   5  -2.320  -2.864   7.185
   24    HB   VAL   5           HB       VAL   5  -1.141  -2.986   4.437
   25   1HG1  VAL   5          1HG1      VAL   5   0.667  -1.427   5.086
   26   2HG1  VAL   5          2HG1      VAL   5  -0.327  -0.906   6.448
   27   3HG1  VAL   5          3HG1      VAL   5  -0.885  -0.633   4.799
   28   1HG2  VAL   5          1HG2      VAL   5   0.774  -3.746   5.676
   29   2HG2  VAL   5          2HG2      VAL   5  -0.667  -4.618   6.205
   30   3HG2  VAL   5          3HG2      VAL   5  -0.005  -3.314   7.198
   31    H    THR   6           H        THR   6  -2.357  -0.856   7.953
   32    HA   THR   6           HA       THR   6  -3.364   1.298   6.247
   33    HB   THR   6           HB       THR   6  -4.043   2.367   8.490
   34    HG1  THR   6           1HG      THR   6  -4.685   0.376   9.891
   35   1HG2  THR   6          1HG2      THR   6  -6.197   1.150   8.460
   36   2HG2  THR   6          2HG2      THR   6  -5.466  -0.055   7.397
   37   3HG2  THR   6          3HG2      THR   6  -5.649   1.613   6.847
   38    H    LYS   7           H        LYS   7  -2.637   3.501   7.225
   39    HA   LYS   7           HA       LYS   7  -0.107   3.933   6.473
   40   1HB   LYS   7          2HB       LYS   7  -1.727   5.694   6.911
   41   2HB   LYS   7          1HB       LYS   7  -1.543   5.456   8.642
   42   1HG   LYS   7          2HG       LYS   7  -0.316   7.420   7.668
   43   2HG   LYS   7          1HG       LYS   7   0.660   6.306   8.625
   44   1HD   LYS   7          2HD       LYS   7   1.569   5.304   6.648
   45   2HD   LYS   7          1HD       LYS   7   0.465   6.214   5.609
   46   1HE   LYS   7          2HE       LYS   7   2.762   7.146   5.651
   47   2HE   LYS   7          1HE       LYS   7   1.547   8.288   6.221
   48   1HZ   LYS   7          1HZ       LYS   7   2.239   8.034   8.426
   49   2HZ   LYS   7          2HZ       LYS   7   3.688   8.108   7.544
   50   3HZ   LYS   7          3HZ       LYS   7   3.111   6.617   8.105
   51    H    ALA   8           H        ALA   8  -0.949   3.253   9.907
   52    HA   ALA   8           HA       ALA   8   1.558   3.792  11.014
   53   1HB   ALA   8          1HB       ALA   8  -0.461   3.407  12.344
   54   2HB   ALA   8          2HB       ALA   8   0.881   2.402  12.891
   55   3HB   ALA   8          3HB       ALA   8  -0.410   1.696  11.921
   56    H    HIS   9           H        HIS   9   0.447   0.960   9.306
   57    HA   HIS   9           HA       HIS   9   2.518  -0.826   9.985
   58   1HB   HIS   9          2HB       HIS   9   0.726  -0.615   7.595
   59   2HB   HIS   9          1HB       HIS   9   1.970  -1.848   7.700
   60    HD1  HIS   9           1HD      HIS   9  -1.373  -0.925   8.984
   61    HD2  HIS   9           2HD      HIS   9   1.456  -3.886   9.612
   62    HE1  HIS   9           1HE      HIS   9  -2.649  -2.890   9.882
   63    HE2  HIS   9           2HE      HIS   9  -0.930  -4.703  10.188
   64    H    ASN  10           H        ASN  10   2.726   2.073   8.370
   65    HA   ASN  10           HA       ASN  10   4.641   1.877   6.427
   66   1HB   ASN  10          2HB       ASN  10   3.749   4.020   7.071
   67   2HB   ASN  10          1HB       ASN  10   4.386   3.857   8.706
   68   1HD2  ASN  10          1HD2      ASN  10   6.056   3.245   5.642
   69   2HD2  ASN  10          2HD2      ASN  10   7.240   4.482   5.847
   70    H    GLY  11           H        GLY  11   4.878   0.962   9.742
   71   1HA   GLY  11          2HA       GLY  11   7.668   0.130   9.269
   72   2HA   GLY  11          1HA       GLY  11   7.287   1.009  10.742
   73    H    ALA  12           H        ALA  12   5.717  -1.669   8.955
   74    HA   ALA  12           HA       ALA  12   5.276  -2.973  11.560
   75   1HB   ALA  12          1HB       ALA  12   3.495  -2.330   9.625
   76   2HB   ALA  12          2HB       ALA  12   3.252  -3.579  10.850
   77   3HB   ALA  12          3HB       ALA  12   3.840  -4.022   9.242
   78    H    THR  13           H        THR  13   5.331  -5.271  11.724
   79    HA   THR  13           HA       THR  13   6.358  -6.854   9.515
   80    HB   THR  13           HB       THR  13   7.814  -6.813  12.176
   81    HG1  THR  13           1HG      THR  13   8.152  -5.361   9.953
   82   1HG2  THR  13          1HG2      THR  13   9.335  -8.433  11.120
   83   2HG2  THR  13          2HG2      THR  13   8.297  -8.471   9.695
   84   3HG2  THR  13          3HG2      THR  13   7.695  -9.067  11.242
   85    H    LEU  14           H        LEU  14   4.681  -8.301   9.454
   86    HA   LEU  14           HA       LEU  14   3.931  -9.800  11.812
   87   1HB   LEU  14          2HB       LEU  14   2.766  -7.615  12.033
   88   2HB   LEU  14          1HB       LEU  14   1.978  -7.904  10.498
   89    HG   LEU  14           HG       LEU  14   1.552 -10.009  12.510
   90   1HD1  LEU  14          1HD1      LEU  14   0.378  -7.249  12.861
   91   2HD1  LEU  14          2HD1      LEU  14   1.542  -8.018  13.941
   92   3HD1  LEU  14          3HD1      LEU  14  -0.077  -8.694  13.765
   93   1HD2  LEU  14          1HD2      LEU  14  -0.713  -9.833  11.633
   94   2HD2  LEU  14          2HD2      LEU  14   0.469  -9.950  10.325
   95   3HD2  LEU  14          3HD2      LEU  14  -0.257  -8.391  10.725
   96    H    THR  15           H        THR  15   2.177 -11.432  11.241
   97    HA   THR  15           HA       THR  15   2.628 -12.340   8.483
   98    HB   THR  15           HB       THR  15   1.751 -13.870  10.934
   99    HG1  THR  15           1HG      THR  15   4.130 -13.151  10.100
  100   1HG2  THR  15          1HG2      THR  15   1.836 -15.868   9.568
  101   2HG2  THR  15          2HG2      THR  15   2.323 -14.921   8.161
  102   3HG2  THR  15          3HG2      THR  15   0.707 -14.715   8.843
  103    H    VAL  16           H        VAL  16   0.953 -12.922   7.133
  104    HA   VAL  16           HA       VAL  16  -1.699 -11.978   8.014
  105    HB   VAL  16           HB       VAL  16  -2.094 -11.028   5.901
  106   1HG1  VAL  16          1HG1      VAL  16   0.820 -10.572   6.548
  107   2HG1  VAL  16          2HG1      VAL  16  -0.550  -9.721   7.261
  108   3HG1  VAL  16          3HG1      VAL  16  -0.185  -9.523   5.547
  109   1HG2  VAL  16          1HG2      VAL  16  -0.674 -11.322   3.952
  110   2HG2  VAL  16          2HG2      VAL  16  -1.296 -12.873   4.519
  111   3HG2  VAL  16          3HG2      VAL  16   0.372 -12.410   4.868
  112    H    ALA  17           H        ALA  17  -3.542 -13.000   7.057
  113    HA   ALA  17           HA       ALA  17  -3.045 -15.698   6.009
  114   1HB   ALA  17          1HB       ALA  17  -4.439 -15.616   7.996
  115   2HB   ALA  17          2HB       ALA  17  -5.407 -16.113   6.607
  116   3HB   ALA  17          3HB       ALA  17  -5.515 -14.460   7.217
  117    H    VAL  18           H        VAL  18  -3.292 -15.964   3.859
  118    HA   VAL  18           HA       VAL  18  -4.844 -13.913   2.415
  119    HB   VAL  18           HB       VAL  18  -3.576 -14.418   0.436
  120   1HG1  VAL  18          1HG1      VAL  18  -2.524 -12.776   1.735
  121   2HG1  VAL  18          2HG1      VAL  18  -1.241 -13.907   1.280
  122   3HG1  VAL  18          3HG1      VAL  18  -1.935 -13.959   2.905
  123   1HG2  VAL  18          1HG2      VAL  18  -2.200 -16.542   2.067
  124   2HG2  VAL  18          2HG2      VAL  18  -1.723 -16.030   0.448
  125   3HG2  VAL  18          3HG2      VAL  18  -3.287 -16.804   0.703
  126    H    GLY  19           H        GLY  19  -5.349 -15.041   0.065
  127   1HA   GLY  19          2HA       GLY  19  -6.155 -17.300  -0.731
  128   2HA   GLY  19          1HA       GLY  19  -7.107 -17.308   0.750
  129    H    GLU  20           H        GLU  20  -8.274 -15.035   0.988
  130    HA   GLU  20           HA       GLU  20 -10.022 -14.780  -1.289
  131   1HB   GLU  20          2HB       GLU  20  -9.947 -13.044   1.182
  132   2HB   GLU  20          1HB       GLU  20 -11.297 -13.285   0.083
  133   1HG   GLU  20          2HG       GLU  20 -11.560 -15.554   0.828
  134   2HG   GLU  20          1HG       GLU  20 -10.123 -15.421   1.840
  135    H    LEU  21           H        LEU  21  -8.276 -12.383   0.624
  136    HA   LEU  21           HA       LEU  21  -6.990 -11.140  -1.601
  137   1HB   LEU  21          2HB       LEU  21  -9.143 -10.209  -2.066
  138   2HB   LEU  21          1HB       LEU  21  -9.447  -9.903  -0.365
  139    HG   LEU  21           HG       LEU  21  -7.674  -8.160  -0.400
  140   1HD1  LEU  21          1HD1      LEU  21  -7.692  -8.601  -3.377
  141   2HD1  LEU  21          2HD1      LEU  21  -6.385  -9.067  -2.289
  142   3HD1  LEU  21          3HD1      LEU  21  -6.795  -7.364  -2.497
  143   1HD2  LEU  21          1HD2      LEU  21  -9.880  -7.794  -2.419
  144   2HD2  LEU  21          2HD2      LEU  21  -8.978  -6.502  -1.626
  145   3HD2  LEU  21          3HD2      LEU  21 -10.021  -7.562  -0.677
  146    H    VAL  22           H        VAL  22  -5.293  -9.886  -0.843
  147    HA   VAL  22           HA       VAL  22  -5.378  -9.227   2.027
  148    HB   VAL  22           HB       VAL  22  -3.234 -10.511   0.466
  149   1HG1  VAL  22          1HG1      VAL  22  -2.145  -8.379   0.504
  150   2HG1  VAL  22          2HG1      VAL  22  -1.415  -9.369   1.769
  151   3HG1  VAL  22          3HG1      VAL  22  -2.585  -8.118   2.188
  152   1HG2  VAL  22          1HG2      VAL  22  -2.533 -11.186   2.726
  153   2HG2  VAL  22          2HG2      VAL  22  -4.228 -11.540   2.390
  154   3HG2  VAL  22          3HG2      VAL  22  -3.799 -10.160   3.402
  155    H    GLU  23           H        GLU  23  -5.333  -7.109   2.533
  156    HA   GLU  23           HA       GLU  23  -4.829  -5.247   0.323
  157   1HB   GLU  23          2HB       GLU  23  -6.414  -4.970   2.856
  158   2HB   GLU  23          1HB       GLU  23  -5.907  -3.565   1.933
  159   1HG   GLU  23          2HG       GLU  23  -7.045  -4.762  -0.052
  160   2HG   GLU  23          1HG       GLU  23  -7.852  -5.701   1.207
  161    H    ILE  24           H        ILE  24  -3.381  -3.704   0.369
  162    HA   ILE  24           HA       ILE  24  -2.082  -2.991   2.922
  163    HB   ILE  24           HB       ILE  24  -0.885  -2.790   0.138
  164   1HG1  ILE  24          2HG1      ILE  24  -1.002  -5.123   0.963
  165   2HG1  ILE  24          1HG1      ILE  24   0.658  -4.554   0.805
  166   1HG2  ILE  24          1HG2      ILE  24   0.334  -2.202   2.833
  167   2HG2  ILE  24          2HG2      ILE  24  -0.162  -1.005   1.637
  168   3HG2  ILE  24          3HG2      ILE  24   1.163  -2.114   1.278
  169   1HD1  ILE  24          1HD1      ILE  24  -0.917  -4.725   3.368
  170   2HD1  ILE  24          2HD1      ILE  24   0.748  -4.165   3.212
  171   3HD1  ILE  24          3HD1      ILE  24   0.342  -5.841   2.840
  172    H    GLN  25           H        GLN  25  -3.224  -1.150   3.472
  173    HA   GLN  25           HA       GLN  25  -4.062   0.557   1.237
  174   1HB   GLN  25          2HB       GLN  25  -5.960  -0.366   2.293
  175   2HB   GLN  25          1HB       GLN  25  -5.344  -0.007   3.903
  176   1HG   GLN  25          2HG       GLN  25  -5.650   2.319   2.180
  177   2HG   GLN  25          1HG       GLN  25  -7.153   1.460   2.497
  178   1HE2  GLN  25          1HE2      GLN  25  -4.558   3.287   3.961
  179   2HE2  GLN  25          2HE2      GLN  25  -5.361   3.566   5.465
  180    H    LEU  26           H        LEU  26  -3.606   2.649   1.195
  181    HA   LEU  26           HA       LEU  26  -2.360   3.784   3.572
  182   1HB   LEU  26          2HB       LEU  26  -1.632   4.110   0.706
  183   2HB   LEU  26          1HB       LEU  26  -1.403   5.472   1.782
  184    HG   LEU  26           HG       LEU  26   0.666   4.296   1.575
  185   1HD1  LEU  26          1HD1      LEU  26  -0.606   3.760   4.244
  186   2HD1  LEU  26          2HD1      LEU  26   0.267   5.214   3.757
  187   3HD1  LEU  26          3HD1      LEU  26   1.128   3.680   3.918
  188   1HD2  LEU  26          1HD2      LEU  26  -0.150   2.124   0.866
  189   2HD2  LEU  26          2HD2      LEU  26  -0.822   1.835   2.472
  190   3HD2  LEU  26          3HD2      LEU  26   0.925   1.948   2.254
  191    HA   PRO  27           HA       PRO  27  -5.687   6.708   3.277
  192   1HB   PRO  27          2HB       PRO  27  -5.010   8.389   5.180
  193   2HB   PRO  27          1HB       PRO  27  -5.297   6.692   5.593
  194   1HG   PRO  27          2HG       PRO  27  -2.650   8.074   5.104
  195   2HG   PRO  27          1HG       PRO  27  -3.124   7.012   6.459
  196   1HD   PRO  27          2HD       PRO  27  -1.762   6.134   4.261
  197   2HD   PRO  27          1HD       PRO  27  -2.835   5.102   5.227
  198    H    SER  28           H        SER  28  -2.928   7.074   1.806
  199    HA   SER  28           HA       SER  28  -1.944   8.524   0.423
  200   1HB   SER  28          2HB       SER  28  -4.218   9.010  -0.438
  201   2HB   SER  28          1HB       SER  28  -4.403  10.242   0.816
  202    HG   SER  28           HG       SER  28  -2.649  10.214  -1.408
  203    H    ASN  29           H        ASN  29  -3.396  10.179   3.160
  204    HA   ASN  29           HA       ASN  29  -2.757  12.008   4.385
  205   1HB   ASN  29          2HB       ASN  29   0.133  11.417   4.030
  206   2HB   ASN  29          1HB       ASN  29  -0.764  11.785   5.491
  207   1HD2  ASN  29          1HD2      ASN  29   0.391   9.320   3.409
  208   2HD2  ASN  29          2HD2      ASN  29  -0.044   7.977   4.412
  209    HA   PRO  30           HA       PRO  30  -1.803  13.454  -0.018
  210   1HB   PRO  30          2HB       PRO  30  -3.812  15.493   0.838
  211   2HB   PRO  30          1HB       PRO  30  -3.638  14.664  -0.718
  212   1HG   PRO  30          2HG       PRO  30  -5.508  13.837   0.923
  213   2HG   PRO  30          1HG       PRO  30  -4.456  12.633   0.146
  214   1HD   PRO  30          2HD       PRO  30  -4.334  13.720   2.936
  215   2HD   PRO  30          1HD       PRO  30  -4.189  12.040   2.373
  216    H    THR  31           H        THR  31   0.011  14.462  -0.296
  217    HA   THR  31           HA       THR  31   0.690  16.731   1.419
  218    HB   THR  31           HB       THR  31   2.966  16.343   0.884
  219    HG1  THR  31           1HG      THR  31   3.592  15.578  -0.999
  220   1HG2  THR  31          1HG2      THR  31   3.322  14.017   1.429
  221   2HG2  THR  31          2HG2      THR  31   1.704  13.589   0.859
  222   3HG2  THR  31          3HG2      THR  31   1.902  14.583   2.313
  223    H    THR  32           H        THR  32   0.821  15.826  -2.023
  224    HA   THR  32           HA       THR  32  -0.352  18.217  -2.922
  225    HB   THR  32           HB       THR  32   1.641  19.380  -2.407
  226    HG1  THR  32           1HG      THR  32   2.279  20.114  -4.425
  227   1HG2  THR  32          1HG2      THR  32   3.160  17.533  -2.057
  228   2HG2  THR  32          2HG2      THR  32   3.879  18.692  -3.175
  229   3HG2  THR  32          3HG2      THR  32   3.190  17.189  -3.787
  230    H    GLY  33           H        GLY  33   2.058  17.459  -5.169
  231   1HA   GLY  33          2HA       GLY  33   0.198  16.002  -6.821
  232   2HA   GLY  33          1HA       GLY  33   1.835  16.459  -7.250
  233    H    PHE  34           H        PHE  34   2.554  15.149  -4.583
  234    HA   PHE  34           HA       PHE  34   3.362  12.643  -5.559
  235   1HB   PHE  34          2HB       PHE  34   3.228  13.688  -2.717
  236   2HB   PHE  34          1HB       PHE  34   4.105  12.256  -3.230
  237    HD1  PHE  34           1HD      PHE  34   3.901  15.880  -4.147
  238    HD2  PHE  34           2HD      PHE  34   6.368  12.490  -3.480
  239    HE1  PHE  34           1HE      PHE  34   5.866  17.250  -4.572
  240    HE2  PHE  34           2HE      PHE  34   8.361  13.863  -3.907
  241    HZ   PHE  34           HZ       PHE  34   8.112  16.251  -4.451
  242    H    ALA  35           H        ALA  35   2.591  10.591  -5.103
  243    HA   ALA  35           HA       ALA  35   0.241  10.255  -3.412
  244   1HB   ALA  35          1HB       ALA  35   0.241   9.376  -6.314
  245   2HB   ALA  35          2HB       ALA  35  -0.648  10.763  -5.684
  246   3HB   ALA  35          3HB       ALA  35  -1.056   9.133  -5.142
  247    H    TRP  36           H        TRP  36  -0.178   7.913  -2.979
  248    HA   TRP  36           HA       TRP  36   2.352   6.563  -2.722
  249   1HB   TRP  36          2HB       TRP  36  -0.405   5.579  -1.931
  250   2HB   TRP  36          1HB       TRP  36   1.116   4.753  -1.604
  251    HD1  TRP  36           HD       TRP  36  -1.100   7.526  -0.283
  252    HE1  TRP  36           1HE      TRP  36  -0.172   8.281   1.979
  253    HE3  TRP  36           3HE      TRP  36   3.397   5.113  -0.405
  254    HZ2  TRP  36           2HZ      TRP  36   2.137   7.896   3.532
  255    HZ3  TRP  36           3HZ      TRP  36   4.923   5.355   1.506
  256    HH2  TRP  36           HH       TRP  36   4.304   6.732   3.441
  257    H    TYR  37           H        TYR  37   3.189   5.595  -4.382
  258    HA   TYR  37           HA       TYR  37   1.575   3.499  -5.681
  259   1HB   TYR  37          2HB       TYR  37   3.681   5.307  -6.850
  260   2HB   TYR  37          1HB       TYR  37   3.373   3.719  -7.543
  261    HD1  TYR  37           1HD      TYR  37   1.972   7.079  -6.973
  262    HD2  TYR  37           2HD      TYR  37   1.401   3.271  -8.782
  263    HE1  TYR  37           1HE      TYR  37   0.119   8.002  -8.303
  264    HE2  TYR  37           2HE      TYR  37  -0.457   4.185 -10.121
  265    HH   TYR  37           HH       TYR  37  -1.968   5.958 -10.214
  266    H    PHE  38           H        PHE  38   3.209   1.636  -6.416
  267    HA   PHE  38           HA       PHE  38   4.894   0.942  -4.267
  268   1HB   PHE  38          2HB       PHE  38   4.309  -0.127  -6.917
  269   2HB   PHE  38          1HB       PHE  38   5.978  -0.371  -6.412
  270    HD1  PHE  38           1HD      PHE  38   2.557  -1.416  -6.030
  271    HD2  PHE  38           2HD      PHE  38   6.420  -1.574  -4.240
  272    HE1  PHE  38           1HE      PHE  38   1.850  -3.351  -4.684
  273    HE2  PHE  38           2HE      PHE  38   5.715  -3.508  -2.892
  274    HZ   PHE  38           HZ       PHE  38   3.396  -4.331  -3.037
  275    H    GLU  39           H        GLU  39   5.916   1.727  -7.584
  276    HA   GLU  39           HA       GLU  39   7.958   3.488  -6.431
  277   1HB   GLU  39          2HB       GLU  39   9.527   2.729  -8.238
  278   2HB   GLU  39          1HB       GLU  39   9.192   1.535  -6.991
  279   1HG   GLU  39          2HG       GLU  39   7.765   0.307  -8.428
  280   2HG   GLU  39          1HG       GLU  39   7.757   1.601  -9.628
  281    H    GLY  40           H        GLY  40   5.278   3.734  -7.837
  282   1HA   GLY  40          2HA       GLY  40   4.569   5.776  -8.793
  283   2HA   GLY  40          1HA       GLY  40   6.185   6.012  -9.434
  284    H    GLY  41           H        GLY  41   3.065   4.601  -9.952
  285   1HA   GLY  41          2HA       GLY  41   2.067   4.245 -12.033
  286   2HA   GLY  41          1HA       GLY  41   3.638   4.409 -12.795
  287    H    THR  42           H        THR  42   4.353   2.374 -10.460
  288    HA   THR  42           HA       THR  42   3.499  -0.030 -11.919
  289    HB   THR  42           HB       THR  42   5.868  -0.739 -10.741
  290    HG1  THR  42           1HG      THR  42   7.259   1.008 -11.800
  291   1HG2  THR  42          1HG2      THR  42   6.737  -0.818 -13.059
  292   2HG2  THR  42          2HG2      THR  42   5.347   0.128 -13.592
  293   3HG2  THR  42          3HG2      THR  42   5.110  -1.484 -12.917
  294    H    LYS  43           H        LYS  43   2.981  -1.776 -10.765
  295    HA   LYS  43           HA       LYS  43   3.673  -1.865  -7.940
  296   1HB   LYS  43          2HB       LYS  43   1.346  -2.751  -7.501
  297   2HB   LYS  43          1HB       LYS  43   1.493  -1.028  -7.765
  298   1HG   LYS  43          2HG       LYS  43  -0.387  -1.591  -8.987
  299   2HG   LYS  43          1HG       LYS  43   0.879  -1.585 -10.212
  300   1HD   LYS  43          2HD       LYS  43   1.078  -4.086  -9.807
  301   2HD   LYS  43          1HD       LYS  43  -0.423  -3.953  -8.889
  302   1HE   LYS  43          2HE       LYS  43  -1.571  -3.098 -10.855
  303   2HE   LYS  43          1HE       LYS  43  -0.066  -3.149 -11.775
  304   1HZ   LYS  43          1HZ       LYS  43  -1.333  -5.087 -12.304
  305   2HZ   LYS  43          2HZ       LYS  43  -1.570  -5.461 -10.670
  306   3HZ   LYS  43          3HZ       LYS  43  -0.024  -5.586 -11.350
  307    H    GLU  44           H        GLU  44   4.192  -3.887  -7.221
  308    HA   GLU  44           HA       GLU  44   3.473  -6.177  -8.876
  309   1HB   GLU  44          2HB       GLU  44   5.805  -7.043  -8.739
  310   2HB   GLU  44          1HB       GLU  44   5.633  -5.600  -9.727
  311   1HG   GLU  44          2HG       GLU  44   6.452  -4.247  -7.833
  312   2HG   GLU  44          1HG       GLU  44   6.704  -5.734  -6.918
  313    H    SER  45           H        SER  45   3.234  -8.086  -7.800
  314    HA   SER  45           HA       SER  45   3.573  -8.030  -4.863
  315   1HB   SER  45          2HB       SER  45   1.877  -9.754  -6.689
  316   2HB   SER  45          1HB       SER  45   2.132 -10.128  -4.982
  317    HG   SER  45           HG       SER  45   0.900  -7.847  -6.112
  318    HA   PRO  46           HA       PRO  46   7.183 -10.538  -5.235
  319   1HB   PRO  46          2HB       PRO  46   6.326 -11.720  -2.656
  320   2HB   PRO  46          1HB       PRO  46   7.828 -10.887  -3.069
  321   1HG   PRO  46          2HG       PRO  46   5.972  -9.695  -1.572
  322   2HG   PRO  46          1HG       PRO  46   6.891  -8.784  -2.784
  323   1HD   PRO  46          2HD       PRO  46   4.090  -9.832  -2.924
  324   2HD   PRO  46          1HD       PRO  46   4.744  -8.284  -3.498
  325    H    ASN  47           H        ASN  47   4.050 -11.985  -4.714
  326    HA   ASN  47           HA       ASN  47   5.130 -14.574  -5.616
  327   1HB   ASN  47          2HB       ASN  47   2.790 -14.074  -3.764
  328   2HB   ASN  47          1HB       ASN  47   3.207 -15.645  -4.433
  329   1HD2  ASN  47          1HD2      ASN  47   3.025 -14.970  -1.680
  330   2HD2  ASN  47          2HD2      ASN  47   4.591 -15.199  -0.991
  331    H    GLU  48           H        GLU  48   3.993 -12.267  -7.197
  332    HA   GLU  48           HA       GLU  48   1.468 -13.348  -8.076
  333   1HB   GLU  48          2HB       GLU  48   1.123 -11.366  -9.267
  334   2HB   GLU  48          1HB       GLU  48   1.934 -10.882  -7.789
  335   1HG   GLU  48          2HG       GLU  48   3.958 -10.471  -8.905
  336   2HG   GLU  48          1HG       GLU  48   3.399 -11.277 -10.371
  337    H    SER  49           H        SER  49   1.199 -14.658  -9.616
  338    HA   SER  49           HA       SER  49   2.743 -14.722 -12.026
  339   1HB   SER  49          2HB       SER  49   2.814 -17.146 -10.196
  340   2HB   SER  49          1HB       SER  49   3.480 -17.067 -11.824
  341    HG   SER  49           HG       SER  49   4.475 -15.048 -10.376
  342    H    MET  50           H        MET  50   0.640 -16.586  -9.904
  343    HA   MET  50           HA       MET  50  -1.260 -16.961 -12.103
  344   1HB   MET  50          2HB       MET  50  -2.315 -18.664 -10.746
  345   2HB   MET  50          1HB       MET  50  -0.600 -18.978 -10.910
  346   1HG   MET  50          2HG       MET  50  -1.990 -17.834  -8.491
  347   2HG   MET  50          1HG       MET  50  -1.351 -19.466  -8.659
  348   1HE   MET  50          1HE       MET  50   0.985 -17.658  -6.011
  349   2HE   MET  50          2HE       MET  50  -0.151 -18.983  -6.266
  350   3HE   MET  50          3HE       MET  50  -0.725 -17.314  -6.271
  351    H    PHE  51           H        PHE  51  -0.955 -15.829  -8.802
  352    HA   PHE  51           HA       PHE  51  -3.408 -14.248  -9.113
  353   1HB   PHE  51          2HB       PHE  51  -1.971 -15.410  -6.769
  354   2HB   PHE  51          1HB       PHE  51  -2.835 -13.893  -6.523
  355    HD1  PHE  51           1HD      PHE  51  -3.469 -17.140  -8.284
  356    HD2  PHE  51           2HD      PHE  51  -4.935 -14.126  -5.650
  357    HE1  PHE  51           1HE      PHE  51  -5.571 -18.390  -8.016
  358    HE2  PHE  51           2HE      PHE  51  -7.036 -15.373  -5.391
  359    HZ   PHE  51           HZ       PHE  51  -7.369 -17.491  -6.624
  360    H    THR  52           H        THR  52  -3.134 -11.964  -7.947
  361    HA   THR  52           HA       THR  52  -0.587 -10.760  -8.381
  362    HB   THR  52           HB       THR  52  -1.245 -11.273 -10.736
  363    HG1  THR  52           1HG      THR  52   0.092  -9.599 -10.811
  364   1HG2  THR  52          1HG2      THR  52  -3.433  -9.254 -10.215
  365   2HG2  THR  52          2HG2      THR  52  -3.665 -10.974 -10.526
  366   3HG2  THR  52          3HG2      THR  52  -3.009  -9.932 -11.789
  367    H    VAL  53           H        VAL  53  -0.845  -8.298  -8.586
  368    HA   VAL  53           HA       VAL  53  -2.745  -7.509  -6.486
  369    HB   VAL  53           HB       VAL  53  -0.512  -7.079  -5.810
  370   1HG1  VAL  53          1HG1      VAL  53  -0.084  -5.764  -8.490
  371   2HG1  VAL  53          2HG1      VAL  53   0.612  -7.288  -7.940
  372   3HG1  VAL  53          3HG1      VAL  53   1.082  -5.774  -7.169
  373   1HG2  VAL  53          1HG2      VAL  53  -2.037  -5.243  -5.322
  374   2HG2  VAL  53          2HG2      VAL  53  -1.651  -4.491  -6.869
  375   3HG2  VAL  53          3HG2      VAL  53  -0.409  -4.636  -5.624
  376    H    GLU  54           H        GLU  54  -4.300  -6.047  -6.877
  377    HA   GLU  54           HA       GLU  54  -4.030  -4.305  -9.238
  378   1HB   GLU  54          2HB       GLU  54  -6.489  -4.170  -9.333
  379   2HB   GLU  54          1HB       GLU  54  -5.927  -5.814  -9.570
  380   1HG   GLU  54          2HG       GLU  54  -6.790  -4.890  -6.861
  381   2HG   GLU  54          1HG       GLU  54  -7.982  -5.359  -8.074
  382    H    ASN  55           H        ASN  55  -4.229  -2.118  -8.858
  383    HA   ASN  55           HA       ASN  55  -4.405  -1.449  -6.011
  384   1HB   ASN  55          2HB       ASN  55  -3.196   0.065  -8.279
  385   2HB   ASN  55          1HB       ASN  55  -3.376   0.722  -6.659
  386   1HD2  ASN  55          1HD2      ASN  55  -0.954   0.587  -7.824
  387   2HD2  ASN  55          2HD2      ASN  55   0.016  -0.615  -7.038
  388    H    LYS  56           H        LYS  56  -5.486   0.405  -5.318
  389    HA   LYS  56           HA       LYS  56  -7.387   1.640  -7.107
  390   1HB   LYS  56          2HB       LYS  56  -9.041   0.207  -6.617
  391   2HB   LYS  56          1HB       LYS  56  -8.079  -0.578  -5.376
  392   1HG   LYS  56          2HG       LYS  56  -9.107   1.983  -4.504
  393   2HG   LYS  56          1HG       LYS  56 -10.385   0.870  -4.998
  394   1HD   LYS  56          2HD       LYS  56  -9.472  -0.837  -3.505
  395   2HD   LYS  56          1HD       LYS  56  -8.180   0.266  -2.996
  396   1HE   LYS  56          2HE       LYS  56  -9.898   0.315  -1.351
  397   2HE   LYS  56          1HE       LYS  56  -9.953   1.843  -2.223
  398   1HZ   LYS  56          1HZ       LYS  56 -11.757   0.802  -3.611
  399   2HZ   LYS  56          2HZ       LYS  56 -12.175   1.128  -2.001
  400   3HZ   LYS  56          3HZ       LYS  56 -11.806  -0.459  -2.478
  401    H    TYR  57           H        TYR  57  -7.035   3.705  -6.706
  402    HA   TYR  57           HA       TYR  57  -6.386   4.525  -3.952
  403   1HB   TYR  57          2HB       TYR  57  -5.650   6.255  -6.215
  404   2HB   TYR  57          1HB       TYR  57  -4.827   6.015  -4.692
  405    HD1  TYR  57           1HD      TYR  57  -5.058   4.988  -8.175
  406    HD2  TYR  57           2HD      TYR  57  -3.348   4.069  -4.390
  407    HE1  TYR  57           1HE      TYR  57  -3.446   3.485  -9.269
  408    HE2  TYR  57           2HE      TYR  57  -1.727   2.576  -5.471
  409    HH   TYR  57           HH       TYR  57  -1.370   1.374  -7.435
  410    H    PHE  58           H        PHE  58  -7.676   6.018  -3.015
  411    HA   PHE  58           HA       PHE  58  -9.085   7.886  -4.797
  412   1HB   PHE  58          2HB       PHE  58 -10.229   6.566  -2.320
  413   2HB   PHE  58          1HB       PHE  58 -11.003   7.871  -3.212
  414    HD1  PHE  58           1HD      PHE  58 -10.295   4.324  -3.101
  415    HD2  PHE  58           2HD      PHE  58 -11.919   7.471  -5.459
  416    HE1  PHE  58           1HE      PHE  58 -11.392   2.666  -4.550
  417    HE2  PHE  58           2HE      PHE  58 -13.017   5.822  -6.912
  418    HZ   PHE  58           HZ       PHE  58 -12.796   3.442  -6.457
  419    HA   PRO  59           HA       PRO  59  -7.069  10.543  -1.658
  420   1HB   PRO  59          2HB       PRO  59  -6.884  12.328  -4.010
  421   2HB   PRO  59          1HB       PRO  59  -5.621  11.842  -2.870
  422   1HG   PRO  59          2HG       PRO  59  -5.586  10.877  -5.329
  423   2HG   PRO  59          1HG       PRO  59  -5.238   9.810  -3.962
  424   1HD   PRO  59          2HD       PRO  59  -7.859  10.163  -5.420
  425   2HD   PRO  59          1HD       PRO  59  -6.973   8.654  -5.080
  426    HA   PRO  60           HA       PRO  60 -10.393  12.968  -0.356
  427   1HB   PRO  60          2HB       PRO  60  -8.832  15.372  -1.217
  428   2HB   PRO  60          1HB       PRO  60  -9.797  15.129   0.249
  429   1HG   PRO  60          2HG       PRO  60  -7.202  14.786   0.401
  430   2HG   PRO  60          1HG       PRO  60  -8.296  13.599   1.145
  431   1HD   PRO  60          2HD       PRO  60  -6.692  13.387  -1.369
  432   2HD   PRO  60          1HD       PRO  60  -7.099  12.136  -0.175
  433    H    ASP  61           H        ASP  61 -12.192  13.416  -1.045
  434    HA   ASP  61           HA       ASP  61 -12.666  14.770  -3.613
  435   1HB   ASP  61          2HB       ASP  61 -12.990  12.379  -4.036
  436   2HB   ASP  61          1HB       ASP  61 -13.997  12.255  -2.592
  437    H    SER  62           H        SER  62 -14.525  13.199  -1.102
  438    HA   SER  62           HA       SER  62 -15.238  15.374   0.403
  439   1HB   SER  62          2HB       SER  62 -16.403  16.109  -1.712
  440   2HB   SER  62          1HB       SER  62 -17.447  14.695  -1.553
  441    HG   SER  62           HG       SER  62 -17.458  17.081  -0.173
  442    H    LYS  63           H        LYS  63 -17.275  12.812  -1.000
  443    HA   LYS  63           HA       LYS  63 -17.865  11.889   1.701
  444   1HB   LYS  63          2HB       LYS  63 -19.766  10.818   0.862
  445   2HB   LYS  63          1HB       LYS  63 -19.663  12.294  -0.079
  446   1HG   LYS  63          2HG       LYS  63 -18.811   9.552  -0.996
  447   2HG   LYS  63          1HG       LYS  63 -20.292  10.389  -1.458
  448   1HD   LYS  63          2HD       LYS  63 -17.476  11.312  -2.033
  449   2HD   LYS  63          1HD       LYS  63 -18.570  10.545  -3.194
  450   1HE   LYS  63          2HE       LYS  63 -19.016  13.191  -1.808
  451   2HE   LYS  63          1HE       LYS  63 -18.562  12.966  -3.497
  452   1HZ   LYS  63          1HZ       LYS  63 -20.685  11.757  -3.806
  453   2HZ   LYS  63          2HZ       LYS  63 -20.899  13.382  -3.369
  454   3HZ   LYS  63          3HZ       LYS  63 -21.120  12.161  -2.215
  455    H    LEU  64           H        LEU  64 -16.302  10.774  -1.245
  456    HA   LEU  64           HA       LEU  64 -15.853   8.102  -0.581
  457   1HB   LEU  64          2HB       LEU  64 -13.921   9.990  -1.952
  458   2HB   LEU  64          1HB       LEU  64 -13.864   8.237  -2.010
  459    HG   LEU  64           HG       LEU  64 -16.061   9.947  -3.180
  460   1HD1  LEU  64          1HD1      LEU  64 -13.847   8.402  -4.523
  461   2HD1  LEU  64          2HD1      LEU  64 -13.976  10.157  -4.417
  462   3HD1  LEU  64          3HD1      LEU  64 -15.165   9.240  -5.341
  463   1HD2  LEU  64          1HD2      LEU  64 -16.863   7.768  -2.405
  464   2HD2  LEU  64          2HD2      LEU  64 -15.604   6.969  -3.342
  465   3HD2  LEU  64          3HD2      LEU  64 -16.874   7.873  -4.165
  466    H    LEU  65           H        LEU  65 -13.513  10.700  -0.305
  467    HA   LEU  65           HA       LEU  65 -13.321  10.360   2.526
  468   1HB   LEU  65          2HB       LEU  65 -11.554   8.864   1.124
  469   2HB   LEU  65          1HB       LEU  65 -10.683  10.382   1.127
  470    HG   LEU  65           HG       LEU  65  -9.762   9.313   2.941
  471   1HD1  LEU  65          1HD1      LEU  65 -12.104  10.732   4.193
  472   2HD1  LEU  65          2HD1      LEU  65 -10.593  11.479   3.671
  473   3HD1  LEU  65          3HD1      LEU  65 -10.588  10.308   4.989
  474   1HD2  LEU  65          1HD2      LEU  65 -11.223   7.360   2.860
  475   2HD2  LEU  65          2HD2      LEU  65 -12.467   8.256   3.734
  476   3HD2  LEU  65          3HD2      LEU  65 -10.923   7.899   4.512
  477    H    GLY  66           H        GLY  66 -13.286  12.405   3.303
  478   1HA   GLY  66          2HA       GLY  66 -12.402  14.520   1.436
  479   2HA   GLY  66          1HA       GLY  66 -13.670  14.730   2.639
  480    H    ALA  67           H        ALA  67 -12.414  13.458   4.784
  481    HA   ALA  67           HA       ALA  67 -10.849  15.489   5.907
  482   1HB   ALA  67          1HB       ALA  67 -12.091  13.789   7.184
  483   2HB   ALA  67          2HB       ALA  67 -10.403  13.901   7.684
  484   3HB   ALA  67          3HB       ALA  67 -10.931  12.572   6.650
  485    H    GLY  68           H        GLY  68  -9.995  12.528   4.260
  486   1HA   GLY  68          2HA       GLY  68  -7.312  13.493   3.751
  487   2HA   GLY  68          1HA       GLY  68  -7.429  12.021   4.712
  488    H    GLY  69           H        GLY  69  -6.390  10.828   3.016
  489   1HA   GLY  69          2HA       GLY  69  -8.135  10.454   0.670
  490   2HA   GLY  69          1HA       GLY  69  -6.393  10.241   0.630
  491    H    THR  70           H        THR  70  -7.512   8.189  -0.356
  492    HA   THR  70           HA       THR  70  -6.989   6.103   1.549
  493    HB   THR  70           HB       THR  70  -9.238   5.018   0.478
  494    HG1  THR  70           1HG      THR  70  -9.552   7.528  -0.042
  495   1HG2  THR  70          1HG2      THR  70 -10.171   5.222   2.686
  496   2HG2  THR  70          2HG2      THR  70  -9.129   6.599   3.043
  497   3HG2  THR  70          3HG2      THR  70  -8.424   4.994   2.825
  498    H    GLU  71           H        GLU  71  -5.256   5.867   0.114
  499    HA   GLU  71           HA       GLU  71  -5.897   4.751  -2.533
  500   1HB   GLU  71          2HB       GLU  71  -3.197   5.628  -1.465
  501   2HB   GLU  71          1HB       GLU  71  -3.599   5.237  -3.131
  502   1HG   GLU  71          2HG       GLU  71  -5.089   7.188  -3.214
  503   2HG   GLU  71          1HG       GLU  71  -4.635   7.586  -1.558
  504    H    HIS  72           H        HIS  72  -6.176   2.542  -2.312
  505    HA   HIS  72           HA       HIS  72  -4.355   1.232  -0.402
  506   1HB   HIS  72          2HB       HIS  72  -6.677  -0.343  -1.342
  507   2HB   HIS  72          1HB       HIS  72  -5.846  -0.331   0.204
  508    HD1  HIS  72           1HD      HIS  72  -8.381  -0.601   0.998
  509    HD2  HIS  72           2HD      HIS  72  -7.265   3.141  -0.431
  510    HE1  HIS  72           1HE      HIS  72 -10.128   0.991   1.819
  511    HE2  HIS  72           2HE      HIS  72  -9.588   3.185   0.715
  512    H    PHE  73           H        PHE  73  -3.415  -0.653  -0.903
  513    HA   PHE  73           HA       PHE  73  -3.236  -1.324  -3.753
  514   1HB   PHE  73          2HB       PHE  73  -1.327  -1.519  -1.430
  515   2HB   PHE  73          1HB       PHE  73  -1.041  -2.412  -2.923
  516    HD1  PHE  73           1HD      PHE  73   0.374  -1.404  -4.425
  517    HD2  PHE  73           2HD      PHE  73  -2.008   1.049  -1.893
  518    HE1  PHE  73           1HE      PHE  73   1.401   0.603  -5.410
  519    HE2  PHE  73           2HE      PHE  73  -0.975   3.060  -2.867
  520    HZ   PHE  73           HZ       PHE  73   0.674   2.857  -4.639
  521    H    HIS  74           H        HIS  74  -4.285  -3.108  -4.292
  522    HA   HIS  74           HA       HIS  74  -5.011  -4.984  -2.150
  523   1HB   HIS  74          2HB       HIS  74  -6.281  -4.299  -4.793
  524   2HB   HIS  74          1HB       HIS  74  -6.706  -5.761  -3.921
  525    HD1  HIS  74           1HD      HIS  74  -9.101  -4.984  -3.653
  526    HD2  HIS  74           2HD      HIS  74  -6.332  -2.429  -1.867
  527    HE1  HIS  74           1HE      HIS  74 -10.440  -3.421  -2.214
  528    HE2  HIS  74           2HE      HIS  74  -8.710  -2.173  -0.886
  529    H    VAL  75           H        VAL  75  -3.555  -6.660  -2.121
  530    HA   VAL  75           HA       VAL  75  -2.823  -7.726  -4.753
  531    HB   VAL  75           HB       VAL  75  -0.924  -8.812  -3.842
  532   1HG1  VAL  75          1HG1      VAL  75   0.407  -7.027  -2.920
  533   2HG1  VAL  75          2HG1      VAL  75  -1.051  -6.128  -2.484
  534   3HG1  VAL  75          3HG1      VAL  75  -0.656  -6.397  -4.181
  535   1HG2  VAL  75          1HG2      VAL  75  -1.976  -8.104  -1.117
  536   2HG2  VAL  75          2HG2      VAL  75  -0.367  -8.782  -1.428
  537   3HG2  VAL  75          3HG2      VAL  75  -1.820  -9.715  -1.825
  538    H    THR  76           H        THR  76  -3.935  -9.368  -5.420
  539    HA   THR  76           HA       THR  76  -5.329 -11.030  -3.450
  540    HB   THR  76           HB       THR  76  -5.787 -10.829  -6.447
  541    HG1  THR  76           1HG      THR  76  -6.580  -8.943  -5.632
  542   1HG2  THR  76          1HG2      THR  76  -6.438 -13.000  -5.511
  543   2HG2  THR  76          2HG2      THR  76  -7.850 -12.065  -6.002
  544   3HG2  THR  76          3HG2      THR  76  -7.420 -12.182  -4.295
  545    H    VAL  77           H        VAL  77  -4.038 -12.621  -2.870
  546    HA   VAL  77           HA       VAL  77  -2.936 -14.414  -4.850
  547    HB   VAL  77           HB       VAL  77  -1.123 -12.841  -4.784
  548   1HG1  VAL  77          1HG1      VAL  77  -1.260 -13.049  -1.777
  549   2HG1  VAL  77          2HG1      VAL  77  -1.697 -11.647  -2.754
  550   3HG1  VAL  77          3HG1      VAL  77  -0.018 -12.183  -2.684
  551   1HG2  VAL  77          1HG2      VAL  77  -0.454 -15.202  -4.734
  552   2HG2  VAL  77          2HG2      VAL  77  -0.426 -15.155  -2.968
  553   3HG2  VAL  77          3HG2      VAL  77   0.713 -14.179  -3.897
  554    H    LYS  78           H        LYS  78  -2.718 -16.479  -4.046
  555    HA   LYS  78           HA       LYS  78  -2.421 -16.702  -1.156
  556   1HB   LYS  78          2HB       LYS  78  -3.889 -18.474  -0.902
  557   2HB   LYS  78          1HB       LYS  78  -4.750 -17.389  -1.971
  558   1HG   LYS  78          2HG       LYS  78  -3.274 -19.868  -2.838
  559   2HG   LYS  78          1HG       LYS  78  -5.012 -19.753  -2.572
  560   1HD   LYS  78          2HD       LYS  78  -5.142 -18.048  -4.346
  561   2HD   LYS  78          1HD       LYS  78  -3.407 -18.239  -4.632
  562   1HE   LYS  78          2HE       LYS  78  -5.516 -20.376  -4.935
  563   2HE   LYS  78          1HE       LYS  78  -4.697 -19.529  -6.245
  564   1HZ   LYS  78          1HZ       LYS  78  -3.410 -21.328  -4.253
  565   2HZ   LYS  78          2HZ       LYS  78  -2.598 -20.485  -5.480
  566   3HZ   LYS  78          3HZ       LYS  78  -3.715 -21.688  -5.881
  567    H    ALA  79           H        ALA  79  -0.360 -17.131  -0.981
  568    HA   ALA  79           HA       ALA  79   0.701 -19.592  -1.894
  569   1HB   ALA  79          1HB       ALA  79   2.484 -18.736  -3.324
  570   2HB   ALA  79          2HB       ALA  79   1.836 -17.104  -3.163
  571   3HB   ALA  79          3HB       ALA  79   0.902 -18.346  -3.996
  572    H    ALA  80           H        ALA  80   2.322 -20.230  -0.602
  573    HA   ALA  80           HA       ALA  80   2.927 -18.730   1.705
  574   1HB   ALA  80          1HB       ALA  80   4.434 -20.524   2.289
  575   2HB   ALA  80          2HB       ALA  80   4.386 -21.137   0.636
  576   3HB   ALA  80          3HB       ALA  80   2.936 -21.185   1.638
  577    H    GLY  81           H        GLY  81   3.913 -16.856   1.472
  578   1HA   GLY  81          2HA       GLY  81   6.727 -16.819   0.877
  579   2HA   GLY  81          1HA       GLY  81   5.757 -15.978  -0.332
  580    H    THR  82           H        THR  82   7.565 -14.520   1.145
  581    HA   THR  82           HA       THR  82   5.887 -13.273   3.211
  582    HB   THR  82           HB       THR  82   8.770 -12.532   2.770
  583    HG1  THR  82           1HG      THR  82   8.991 -14.720   3.030
  584   1HG2  THR  82          1HG2      THR  82   6.977 -12.690   5.201
  585   2HG2  THR  82          2HG2      THR  82   7.431 -11.216   4.340
  586   3HG2  THR  82          3HG2      THR  82   8.658 -12.146   5.202
  587    H    HIS  83           H        HIS  83   5.128 -11.226   2.984
  588    HA   HIS  83           HA       HIS  83   5.518 -10.041   0.318
  589   1HB   HIS  83          2HB       HIS  83   3.144 -10.780   1.228
  590   2HB   HIS  83          1HB       HIS  83   3.256  -9.307   2.174
  591    HD1  HIS  83           1HD      HIS  83   3.929  -7.102   0.576
  592    HD2  HIS  83           2HD      HIS  83   1.911 -10.296  -1.155
  593    HE1  HIS  83           1HE      HIS  83   2.852  -6.162  -1.494
  594    HE2  HIS  83           2HE      HIS  83   1.520  -8.084  -2.450
  595    H    ALA  84           H        ALA  84   7.180  -8.604   0.559
  596    HA   ALA  84           HA       ALA  84   7.023  -6.689   2.780
  597   1HB   ALA  84          1HB       ALA  84   9.311  -6.044   2.118
  598   2HB   ALA  84          2HB       ALA  84   9.251  -7.233   0.817
  599   3HB   ALA  84          3HB       ALA  84   9.187  -7.764   2.495
  600    H    VAL  85           H        VAL  85   6.276  -4.700   2.431
  601    HA   VAL  85           HA       VAL  85   5.689  -4.027  -0.382
  602    HB   VAL  85           HB       VAL  85   4.125  -2.970   1.933
  603   1HG1  VAL  85          1HG1      VAL  85   2.368  -2.746   0.257
  604   2HG1  VAL  85          2HG1      VAL  85   3.446  -3.440  -0.957
  605   3HG1  VAL  85          3HG1      VAL  85   3.841  -1.892  -0.208
  606   1HG2  VAL  85          1HG2      VAL  85   4.112  -5.391   2.190
  607   2HG2  VAL  85          2HG2      VAL  85   3.607  -5.573   0.507
  608   3HG2  VAL  85          3HG2      VAL  85   2.527  -4.805   1.672
  609    H    ASN  86           H        ASN  86   7.067  -2.509  -1.028
  610    HA   ASN  86           HA       ASN  86   7.519  -0.179   0.731
  611   1HB   ASN  86          2HB       ASN  86   9.095  -0.978  -1.736
  612   2HB   ASN  86          1HB       ASN  86   9.473   0.334  -0.629
  613   1HD2  ASN  86          1HD2      ASN  86   8.602  -1.537   1.612
  614   2HD2  ASN  86          2HD2      ASN  86  10.012  -2.515   1.880
  615    H    LEU  87           H        LEU  87   5.970   1.223   0.309
  616    HA   LEU  87           HA       LEU  87   5.239   1.692  -2.497
  617   1HB   LEU  87          2HB       LEU  87   3.698   2.294   0.028
  618   2HB   LEU  87          1HB       LEU  87   3.155   2.643  -1.607
  619    HG   LEU  87           HG       LEU  87   3.729  -0.145  -0.589
  620   1HD1  LEU  87          1HD1      LEU  87   1.300  -0.414  -0.522
  621   2HD1  LEU  87          2HD1      LEU  87   1.100   1.293  -0.915
  622   3HD1  LEU  87          3HD1      LEU  87   1.843   0.821   0.613
  623   1HD2  LEU  87          1HD2      LEU  87   2.382   0.867  -3.079
  624   2HD2  LEU  87          2HD2      LEU  87   2.528  -0.823  -2.596
  625   3HD2  LEU  87          3HD2      LEU  87   3.972   0.111  -2.985
  626    H    THR  88           H        THR  88   5.841   3.530  -3.377
  627    HA   THR  88           HA       THR  88   7.130   5.503  -1.639
  628    HB   THR  88           HB       THR  88   7.477   5.314  -4.624
  629    HG1  THR  88           1HG      THR  88   8.075   3.300  -4.072
  630   1HG2  THR  88          1HG2      THR  88   9.291   6.220  -2.374
  631   2HG2  THR  88          2HG2      THR  88   8.390   7.280  -3.458
  632   3HG2  THR  88          3HG2      THR  88   9.680   6.261  -4.094
  633    H    TYR  89           H        TYR  89   6.139   7.306  -1.305
  634    HA   TYR  89           HA       TYR  89   3.796   8.088  -2.828
  635   1HB   TYR  89          2HB       TYR  89   3.924   8.113  -0.299
  636   2HB   TYR  89          1HB       TYR  89   5.078   9.433  -0.433
  637    HD1  TYR  89           1HD      TYR  89   1.590   8.451  -1.059
  638    HD2  TYR  89           2HD      TYR  89   4.345  11.660  -0.787
  639    HE1  TYR  89           1HE      TYR  89  -0.282  10.036  -1.054
  640    HE2  TYR  89           2HE      TYR  89   2.483  13.259  -0.786
  641    HH   TYR  89           HH       TYR  89  -0.811  12.237  -0.456
  642    H    MET  90           H        MET  90   4.595   8.847  -4.789
  643    HA   MET  90           HA       MET  90   6.277  11.265  -4.637
  644   1HB   MET  90          2HB       MET  90   6.568   9.561  -7.035
  645   2HB   MET  90          1HB       MET  90   7.743  10.595  -6.245
  646   1HG   MET  90          2HG       MET  90   8.215   8.956  -4.604
  647   2HG   MET  90          1HG       MET  90   6.867   7.948  -5.141
  648   1HE   MET  90          1HE       MET  90   8.094   7.043  -8.798
  649   2HE   MET  90          2HE       MET  90   7.178   8.474  -8.318
  650   3HE   MET  90          3HE       MET  90   6.765   6.895  -7.646
  651    H    ARG  91           H        ARG  91   6.072  12.661  -6.490
  652    HA   ARG  91           HA       ARG  91   3.631  12.892  -7.823
  653   1HB   ARG  91          2HB       ARG  91   6.453  13.758  -8.447
  654   2HB   ARG  91          1HB       ARG  91   5.180  13.986  -9.640
  655   1HG   ARG  91          2HG       ARG  91   3.933  15.335  -7.987
  656   2HG   ARG  91          1HG       ARG  91   5.282  15.140  -6.862
  657   1HD   ARG  91          2HD       ARG  91   6.737  16.088  -8.749
  658   2HD   ARG  91          1HD       ARG  91   5.219  16.600  -9.487
  659    HE   ARG  91           HE       ARG  91   5.027  17.599  -6.989
  660   1HH1  ARG  91          1HH1      ARG  91   7.442  17.849  -9.521
  661   2HH1  ARG  91          2HH1      ARG  91   8.087  19.355  -8.933
  662   1HH2  ARG  91          1HH2      ARG  91   5.874  19.581  -6.217
  663   2HH2  ARG  91          2HH2      ARG  91   7.191  20.341  -7.066
  664    HA   PRO  92           HA       PRO  92   3.796   8.913  -9.832
  665   1HB   PRO  92          2HB       PRO  92   1.771   9.557 -11.680
  666   2HB   PRO  92          1HB       PRO  92   1.567   8.757 -10.123
  667   1HG   PRO  92          2HG       PRO  92   1.171  11.608 -10.858
  668   2HG   PRO  92          1HG       PRO  92   0.327  10.626  -9.647
  669   1HD   PRO  92          2HD       PRO  92   2.142  12.481  -8.960
  670   2HD   PRO  92          1HD       PRO  92   1.961  10.968  -8.052
  671    H    TRP  93           H        TRP  93   4.095  11.925 -11.592
  672    HA   TRP  93           HA       TRP  93   5.006  10.501 -13.970
  673   1HB   TRP  93          2HB       TRP  93   4.969  12.737 -15.052
  674   2HB   TRP  93          1HB       TRP  93   3.410  12.268 -14.386
  675    HD1  TRP  93           HD       TRP  93   6.164  14.859 -14.027
  676    HE1  TRP  93           1HE      TRP  93   5.386  16.704 -12.406
  677    HE3  TRP  93           3HE      TRP  93   1.865  12.678 -12.316
  678    HZ2  TRP  93           2HZ      TRP  93   3.229  17.176 -10.658
  679    HZ3  TRP  93           3HZ      TRP  93   0.502  13.896 -10.668
  680    HH2  TRP  93           HH       TRP  93   1.172  16.100  -9.858
  681    H    THR  94           H        THR  94   6.433  11.427 -11.199
  682    HA   THR  94           HA       THR  94   9.037  11.186 -12.216
  683    HB   THR  94           HB       THR  94   8.906  13.390 -13.094
  684    HG1  THR  94           1HG      THR  94  10.869  13.372 -12.264
  685   1HG2  THR  94          1HG2      THR  94   7.955  14.325 -10.387
  686   2HG2  THR  94          2HG2      THR  94   6.979  14.224 -11.851
  687   3HG2  THR  94          3HG2      THR  94   8.322  15.363 -11.764
  688    H    GLY  95           H        GLY  95   7.647  13.168  -9.572
  689   1HA   GLY  95          2HA       GLY  95   7.720  12.833  -7.269
  690   2HA   GLY  95          1HA       GLY  95   8.423  11.241  -7.589
  691    HA   PRO  96           HA       PRO  96  11.789  15.058  -7.230
  692   1HB   PRO  96          2HB       PRO  96  10.082  15.570  -4.803
  693   2HB   PRO  96          1HB       PRO  96  11.209  16.651  -5.613
  694   1HG   PRO  96          2HG       PRO  96   8.639  16.882  -6.118
  695   2HG   PRO  96          1HG       PRO  96   9.812  16.977  -7.446
  696   1HD   PRO  96          2HD       PRO  96   7.934  14.795  -6.742
  697   2HD   PRO  96          1HD       PRO  96   8.608  15.244  -8.321
  698    H    SER  97           H        SER  97  13.446  13.790  -6.619
  699    HA   SER  97           HA       SER  97  12.922  11.441  -5.073
  700   1HB   SER  97          2HB       SER  97  14.392  11.598  -7.135
  701   2HB   SER  97          1HB       SER  97  15.598  12.372  -6.110
  702    HG   SER  97           HG       SER  97  15.572   9.929  -6.460
  703    H    HIS  98           H        HIS  98  13.342  14.420  -3.975
  704    HA   HIS  98           HA       HIS  98  14.629  13.397  -1.536
  705   1HB   HIS  98          2HB       HIS  98  14.924  16.180  -2.694
  706   2HB   HIS  98          1HB       HIS  98  15.552  15.659  -1.135
  707    HD1  HIS  98           1HD      HIS  98  16.283  15.619  -4.764
  708    HD2  HIS  98           2HD      HIS  98  17.767  13.862  -1.294
  709    HE1  HIS  98           1HE      HIS  98  18.518  14.651  -5.394
  710    HE2  HIS  98           2HE      HIS  98  19.345  13.487  -3.315
  711    H    ASP  99           H        ASP  99  11.788  14.232  -2.831
  712    HA   ASP  99           HA       ASP  99  10.860  15.516  -0.340
  713   1HB   ASP  99          2HB       ASP  99  10.995  17.042  -2.363
  714   2HB   ASP  99          1HB       ASP  99   9.716  16.071  -3.088
  715    H    SER 100           H        SER 100  10.774  12.783  -2.075
  716    HA   SER 100           HA       SER 100   7.922  12.250  -1.937
  717   1HB   SER 100          2HB       SER 100  10.204  10.451  -2.795
  718   2HB   SER 100          1HB       SER 100   8.484  10.129  -3.019
  719    HG   SER 100           HG       SER 100  10.013  12.227  -4.178
  720    H    GLU 101           H        GLU 101   6.975  10.660  -0.668
  721    HA   GLU 101           HA       GLU 101   8.502   9.859   1.714
  722   1HB   GLU 101          2HB       GLU 101   6.402  11.090   2.113
  723   2HB   GLU 101          1HB       GLU 101   5.512   9.891   1.192
  724   1HG   GLU 101          2HG       GLU 101   5.206   9.584   3.581
  725   2HG   GLU 101          1HG       GLU 101   6.026   8.199   2.861
  726    H    ARG 102           H        ARG 102   7.888   7.557   2.536
  727    HA   ARG 102           HA       ARG 102   6.908   5.771   0.488
  728   1HB   ARG 102          2HB       ARG 102   9.456   6.077   0.142
  729   2HB   ARG 102          1HB       ARG 102   9.640   5.164   1.633
  730   1HG   ARG 102          2HG       ARG 102   8.505   3.265   0.648
  731   2HG   ARG 102          1HG       ARG 102   8.212   4.179  -0.830
  732   1HD   ARG 102          2HD       ARG 102  10.807   4.448  -0.840
  733   2HD   ARG 102          1HD       ARG 102  10.766   3.049   0.232
  734    HE   ARG 102           HE       ARG 102   9.248   2.748  -2.223
  735   1HH1  ARG 102          1HH1      ARG 102  12.312   2.203  -0.591
  736   2HH1  ARG 102          2HH1      ARG 102  12.918   1.137  -1.830
  737   1HH2  ARG 102          1HH2      ARG 102  10.043   1.316  -3.819
  738   2HH2  ARG 102          2HH2      ARG 102  11.625   0.623  -3.641
  739    H    PHE 103           H        PHE 103   6.052   4.001   1.245
  740    HA   PHE 103           HA       PHE 103   5.880   3.650   4.153
  741   1HB   PHE 103          2HB       PHE 103   3.710   3.947   3.345
  742   2HB   PHE 103          1HB       PHE 103   4.070   3.172   1.812
  743    HD1  PHE 103           1HD      PHE 103   3.017   2.703   5.250
  744    HD2  PHE 103           2HD      PHE 103   3.986   0.770   1.590
  745    HE1  PHE 103           1HE      PHE 103   1.951   0.645   6.056
  746    HE2  PHE 103           2HE      PHE 103   2.924  -1.294   2.392
  747    HZ   PHE 103           HZ       PHE 103   1.907  -1.352   4.627
  748    H    THR 104           H        THR 104   5.864   1.381   4.935
  749    HA   THR 104           HA       THR 104   6.831  -0.646   3.162
  750    HB   THR 104           HB       THR 104   8.697   0.459   5.274
  751    HG1  THR 104           1HG      THR 104   8.441   1.018   2.710
  752   1HG2  THR 104          1HG2      THR 104   8.992  -2.011   3.559
  753   2HG2  THR 104          2HG2      THR 104   8.733  -1.983   5.303
  754   3HG2  THR 104          3HG2      THR 104  10.231  -1.345   4.624
  755    H    VAL 105           H        VAL 105   5.147  -1.926   3.883
  756    HA   VAL 105           HA       VAL 105   5.373  -2.676   6.708
  757    HB   VAL 105           HB       VAL 105   3.110  -2.114   5.834
  758   1HG1  VAL 105          1HG1      VAL 105   3.302  -3.019   3.591
  759   2HG1  VAL 105          2HG1      VAL 105   1.934  -3.732   4.445
  760   3HG1  VAL 105          3HG1      VAL 105   3.425  -4.652   4.249
  761   1HG2  VAL 105          1HG2      VAL 105   2.025  -4.163   6.783
  762   2HG2  VAL 105          2HG2      VAL 105   3.240  -3.395   7.797
  763   3HG2  VAL 105          3HG2      VAL 105   3.638  -4.865   6.908
  764    H    TYR 106           H        TYR 106   6.140  -4.580   7.301
  765    HA   TYR 106           HA       TYR 106   6.914  -6.471   5.198
  766   1HB   TYR 106          2HB       TYR 106   7.840  -6.267   8.064
  767   2HB   TYR 106          1HB       TYR 106   8.336  -7.499   6.922
  768    HD1  TYR 106           1HD      TYR 106   9.611  -6.765   4.846
  769    HD2  TYR 106           2HD      TYR 106   8.987  -4.224   8.202
  770    HE1  TYR 106           1HE      TYR 106  11.445  -5.324   4.087
  771    HE2  TYR 106           2HE      TYR 106  10.827  -2.774   7.451
  772    HH   TYR 106           HH       TYR 106  12.179  -2.978   4.348
  773    H    LEU 107           H        LEU 107   5.549  -8.047   4.918
  774    HA   LEU 107           HA       LEU 107   4.203  -9.192   7.251
  775   1HB   LEU 107          2HB       LEU 107   2.900  -8.302   4.691
  776   2HB   LEU 107          1HB       LEU 107   2.104  -9.270   5.915
  777    HG   LEU 107           HG       LEU 107   3.266  -6.595   6.585
  778   1HD1  LEU 107          1HD1      LEU 107   1.868  -6.290   4.618
  779   2HD1  LEU 107          2HD1      LEU 107   1.117  -5.598   6.056
  780   3HD1  LEU 107          3HD1      LEU 107   0.549  -7.141   5.421
  781   1HD2  LEU 107          1HD2      LEU 107   0.963  -8.202   7.685
  782   2HD2  LEU 107          2HD2      LEU 107   1.484  -6.620   8.269
  783   3HD2  LEU 107          3HD2      LEU 107   2.552  -8.015   8.430
  784    H    LYS 108           H        LYS 108   3.212 -11.321   6.687
  785    HA   LYS 108           HA       LYS 108   4.746 -12.591   4.517
  786   1HB   LYS 108          2HB       LYS 108   5.324 -13.219   6.925
  787   2HB   LYS 108          1HB       LYS 108   3.756 -14.010   6.975
  788   1HG   LYS 108          2HG       LYS 108   4.394 -15.393   5.074
  789   2HG   LYS 108          1HG       LYS 108   5.988 -14.631   5.061
  790   1HD   LYS 108          2HD       LYS 108   6.295 -15.390   7.420
  791   2HD   LYS 108          1HD       LYS 108   4.797 -16.307   7.263
  792   1HE   LYS 108          2HE       LYS 108   5.750 -17.619   5.471
  793   2HE   LYS 108          1HE       LYS 108   7.226 -16.654   5.517
  794   1HZ   LYS 108          1HZ       LYS 108   6.216 -18.273   7.790
  795   2HZ   LYS 108          2HZ       LYS 108   7.701 -17.462   7.702
  796   3HZ   LYS 108          3HZ       LYS 108   7.405 -18.795   6.701
  797    H    ALA 109           H        ALA 109   3.587 -13.579   2.979
  798    HA   ALA 109           HA       ALA 109   0.672 -13.530   3.324
  799   1HB   ALA 109          1HB       ALA 109   0.561 -13.435   0.889
  800   2HB   ALA 109          2HB       ALA 109   2.319 -13.541   0.799
  801   3HB   ALA 109          3HB       ALA 109   1.558 -12.126   1.528
  802    H    ASN 110           H        ASN 110  -0.457 -15.345   3.289
  803    HA   ASN 110           HA       ASN 110   0.092 -17.716   1.997
  804   1HB   ASN 110          2HB       ASN 110   0.971 -19.182   3.798
  805   2HB   ASN 110          1HB       ASN 110   2.131 -17.976   3.284
  806   1HD2  ASN 110          1HD2      ASN 110   1.045 -15.801   4.812
  807   2HD2  ASN 110          2HD2      ASN 110   1.419 -16.125   6.463
  Start of MODEL   11
    1    H    HIS   3           H        HIS   3  -6.044 -10.377   4.274
    2    HA   HIS   3           HA       HIS   3  -5.498  -9.107   6.874
    3   1HB   HIS   3          2HB       HIS   3  -3.644 -10.591   6.557
    4   2HB   HIS   3          1HB       HIS   3  -3.599 -10.232   4.826
    5    HD1  HIS   3           1HD      HIS   3  -3.164  -8.178   8.026
    6    HD2  HIS   3           2HD      HIS   3  -1.536  -8.636   4.216
    7    HE1  HIS   3           1HE      HIS   3  -1.294  -6.505   7.881
    8    HE2  HIS   3           2HE      HIS   3  -0.276  -6.850   5.603
    9    H    LYS   4           H        LYS   4  -5.013  -6.937   6.838
   10    HA   LYS   4           HA       LYS   4  -4.770  -5.604   4.258
   11   1HB   LYS   4          2HB       LYS   4  -6.454  -3.892   4.924
   12   2HB   LYS   4          1HB       LYS   4  -7.126  -5.489   4.631
   13   1HG   LYS   4          2HG       LYS   4  -6.420  -4.798   7.427
   14   2HG   LYS   4          1HG       LYS   4  -7.829  -4.013   6.714
   15   1HD   LYS   4          2HD       LYS   4  -8.713  -6.250   6.105
   16   2HD   LYS   4          1HD       LYS   4  -7.343  -6.986   6.938
   17   1HE   LYS   4          2HE       LYS   4  -9.280  -5.107   8.274
   18   2HE   LYS   4          1HE       LYS   4  -9.500  -6.855   8.246
   19   1HZ   LYS   4          1HZ       LYS   4  -7.075  -5.525   9.333
   20   2HZ   LYS   4          2HZ       LYS   4  -7.503  -7.161   9.469
   21   3HZ   LYS   4          3HZ       LYS   4  -8.404  -5.978  10.282
   22    H    VAL   5           H        VAL   5  -3.491  -3.790   4.303
   23    HA   VAL   5           HA       VAL   5  -2.399  -3.097   6.948
   24    HB   VAL   5           HB       VAL   5  -1.137  -3.169   4.251
   25   1HG1  VAL   5          1HG1      VAL   5  -0.431  -1.100   6.320
   26   2HG1  VAL   5          2HG1      VAL   5  -0.923  -0.815   4.651
   27   3HG1  VAL   5          3HG1      VAL   5   0.630  -1.581   4.997
   28   1HG2  VAL   5          1HG2      VAL   5  -0.690  -4.826   6.013
   29   2HG2  VAL   5          2HG2      VAL   5  -0.080  -3.528   7.049
   30   3HG2  VAL   5          3HG2      VAL   5   0.756  -3.926   5.549
   31    H    THR   6           H        THR   6  -2.707  -1.199   7.797
   32    HA   THR   6           HA       THR   6  -3.626   1.020   6.121
   33    HB   THR   6           HB       THR   6  -4.225   1.936   8.537
   34    HG1  THR   6           1HG      THR   6  -5.119  -0.355   9.417
   35   1HG2  THR   6          1HG2      THR   6  -6.487   0.904   8.250
   36   2HG2  THR   6          2HG2      THR   6  -5.813  -0.089   6.954
   37   3HG2  THR   6          3HG2      THR   6  -5.854   1.667   6.791
   38    H    LYS   7           H        LYS   7  -2.944   3.217   7.138
   39    HA   LYS   7           HA       LYS   7  -0.411   3.708   6.423
   40   1HB   LYS   7          2HB       LYS   7  -2.096   5.426   6.884
   41   2HB   LYS   7          1HB       LYS   7  -1.842   5.209   8.610
   42   1HG   LYS   7          2HG       LYS   7  -0.700   7.193   7.616
   43   2HG   LYS   7          1HG       LYS   7   0.373   6.085   8.471
   44   1HD   LYS   7          2HD       LYS   7   1.221   5.198   6.451
   45   2HD   LYS   7          1HD       LYS   7  -0.058   5.949   5.494
   46   1HE   LYS   7          2HE       LYS   7   2.064   7.129   5.227
   47   2HE   LYS   7          1HE       LYS   7   0.861   8.158   5.998
   48   1HZ   LYS   7          1HZ       LYS   7   3.121   8.264   6.990
   49   2HZ   LYS   7          2HZ       LYS   7   2.932   6.661   7.499
   50   3HZ   LYS   7          3HZ       LYS   7   1.898   7.865   8.095
   51    H    ALA   8           H        ALA   8  -1.219   2.914   9.841
   52    HA   ALA   8           HA       ALA   8   1.244   3.564  10.967
   53   1HB   ALA   8          1HB       ALA   8  -0.536   1.284  11.805
   54   2HB   ALA   8          2HB       ALA   8  -0.763   2.972  12.265
   55   3HB   ALA   8          3HB       ALA   8   0.674   2.097  12.798
   56    H    HIS   9           H        HIS   9   0.314   0.768   9.125
   57    HA   HIS   9           HA       HIS   9   2.497  -0.897   9.805
   58   1HB   HIS   9          2HB       HIS   9   0.793  -0.868   7.327
   59   2HB   HIS   9          1HB       HIS   9   1.969  -2.111   7.713
   60    HD1  HIS   9           1HD      HIS   9  -1.417  -0.897   8.578
   61    HD2  HIS   9           2HD      HIS   9   1.168  -3.931   9.719
   62    HE1  HIS   9           1HE      HIS   9  -2.869  -2.670   9.606
   63    HE2  HIS   9           2HE      HIS   9  -1.277  -4.430  10.435
   64    H    ASN  10           H        ASN  10   2.492   2.017   8.212
   65    HA   ASN  10           HA       ASN  10   4.396   1.881   6.224
   66   1HB   ASN  10          2HB       ASN  10   3.184   3.960   7.117
   67   2HB   ASN  10          1HB       ASN  10   4.380   3.996   8.408
   68   1HD2  ASN  10          1HD2      ASN  10   6.575   3.225   6.585
   69   2HD2  ASN  10          2HD2      ASN  10   6.887   4.632   5.619
   70    H    GLY  11           H        GLY  11   4.675   1.005   9.508
   71   1HA   GLY  11          2HA       GLY  11   7.498   0.335   9.068
   72   2HA   GLY  11          1HA       GLY  11   7.107   1.281  10.499
   73    H    ALA  12           H        ALA  12   5.582  -1.528   8.893
   74    HA   ALA  12           HA       ALA  12   5.304  -2.728  11.578
   75   1HB   ALA  12          1HB       ALA  12   3.174  -2.271  10.697
   76   2HB   ALA  12          2HB       ALA  12   3.413  -4.009  10.487
   77   3HB   ALA  12          3HB       ALA  12   3.608  -2.916   9.116
   78    H    THR  13           H        THR  13   5.439  -4.976  11.838
   79    HA   THR  13           HA       THR  13   6.320  -6.642   9.613
   80    HB   THR  13           HB       THR  13   7.904  -6.504  12.195
   81    HG1  THR  13           1HG      THR  13   8.106  -5.095   9.928
   82   1HG2  THR  13          1HG2      THR  13   7.742  -8.779  11.281
   83   2HG2  THR  13          2HG2      THR  13   9.379  -8.140  11.130
   84   3HG2  THR  13          3HG2      THR  13   8.319  -8.192   9.721
   85    H    LEU  14           H        LEU  14   4.779  -8.162   9.644
   86    HA   LEU  14           HA       LEU  14   4.152  -9.613  12.055
   87   1HB   LEU  14          2HB       LEU  14   1.687  -9.119  11.791
   88   2HB   LEU  14          1HB       LEU  14   2.688  -7.843  12.447
   89    HG   LEU  14           HG       LEU  14   2.741  -6.835  10.125
   90   1HD1  LEU  14          1HD1      LEU  14   0.991  -7.467   8.584
   91   2HD1  LEU  14          2HD1      LEU  14   0.455  -8.740   9.682
   92   3HD1  LEU  14          3HD1      LEU  14   2.042  -8.844   8.920
   93   1HD2  LEU  14          1HD2      LEU  14   0.530  -5.814  10.375
   94   2HD2  LEU  14          2HD2      LEU  14   1.393  -5.912  11.910
   95   3HD2  LEU  14          3HD2      LEU  14   0.100  -7.056  11.552
   96    H    THR  15           H        THR  15   2.432 -11.323  11.614
   97    HA   THR  15           HA       THR  15   3.019 -12.509   8.987
   98    HB   THR  15           HB       THR  15   1.991 -13.745  11.549
   99    HG1  THR  15           1HG      THR  15   4.470 -13.338  10.520
  100   1HG2  THR  15          1HG2      THR  15   0.986 -14.757   9.503
  101   2HG2  THR  15          2HG2      THR  15   1.998 -15.877  10.428
  102   3HG2  THR  15          3HG2      THR  15   2.619 -15.144   8.950
  103    H    VAL  16           H        VAL  16   1.355 -13.336   7.666
  104    HA   VAL  16           HA       VAL  16  -1.367 -12.506   8.413
  105    HB   VAL  16           HB       VAL  16  -1.802 -11.660   6.224
  106   1HG1  VAL  16          1HG1      VAL  16  -0.198  -9.805   6.100
  107   2HG1  VAL  16          2HG1      VAL  16   0.875 -10.669   7.201
  108   3HG1  VAL  16          3HG1      VAL  16  -0.707 -10.124   7.758
  109   1HG2  VAL  16          1HG2      VAL  16  -0.116 -11.616   4.447
  110   2HG2  VAL  16          2HG2      VAL  16  -0.538 -13.264   4.909
  111   3HG2  VAL  16          3HG2      VAL  16   0.984 -12.555   5.467
  112    H    ALA  17           H        ALA  17  -3.059 -13.648   7.326
  113    HA   ALA  17           HA       ALA  17  -2.258 -16.220   6.137
  114   1HB   ALA  17          1HB       ALA  17  -4.598 -16.915   6.740
  115   2HB   ALA  17          2HB       ALA  17  -4.758 -15.378   7.598
  116   3HB   ALA  17          3HB       ALA  17  -3.562 -16.562   8.124
  117    H    VAL  18           H        VAL  18  -2.649 -16.403   3.980
  118    HA   VAL  18           HA       VAL  18  -4.307 -14.288   2.777
  119    HB   VAL  18           HB       VAL  18  -3.196 -14.727   0.675
  120   1HG1  VAL  18          1HG1      VAL  18  -0.839 -14.182   1.369
  121   2HG1  VAL  18          2HG1      VAL  18  -1.385 -14.352   3.042
  122   3HG1  VAL  18          3HG1      VAL  18  -2.098 -13.122   1.999
  123   1HG2  VAL  18          1HG2      VAL  18  -2.867 -17.118   0.847
  124   2HG2  VAL  18          2HG2      VAL  18  -1.698 -16.888   2.149
  125   3HG2  VAL  18          3HG2      VAL  18  -1.327 -16.319   0.521
  126    H    GLY  19           H        GLY  19  -4.786 -15.456   0.314
  127   1HA   GLY  19          2HA       GLY  19  -5.871 -17.439  -0.589
  128   2HA   GLY  19          1HA       GLY  19  -6.539 -17.735   1.012
  129    H    GLU  20           H        GLU  20  -7.584 -15.449   1.783
  130    HA   GLU  20           HA       GLU  20  -9.792 -14.941   0.030
  131   1HB   GLU  20          2HB       GLU  20  -8.921 -13.337   2.444
  132   2HB   GLU  20          1HB       GLU  20 -10.515 -13.349   1.709
  133   1HG   GLU  20          2HG       GLU  20  -9.231 -15.707   3.058
  134   2HG   GLU  20          1HG       GLU  20 -10.386 -14.612   3.816
  135    H    LEU  21           H        LEU  21  -7.643 -12.610   1.530
  136    HA   LEU  21           HA       LEU  21  -6.703 -11.440  -0.877
  137   1HB   LEU  21          2HB       LEU  21  -8.916 -10.541  -1.055
  138   2HB   LEU  21          1HB       LEU  21  -8.938 -10.105   0.639
  139    HG   LEU  21           HG       LEU  21  -7.197  -8.393   0.190
  140   1HD1  LEU  21          1HD1      LEU  21  -6.169  -9.390  -1.769
  141   2HD1  LEU  21          2HD1      LEU  21  -6.742  -7.762  -2.132
  142   3HD1  LEU  21          3HD1      LEU  21  -7.658  -9.163  -2.686
  143   1HD2  LEU  21          1HD2      LEU  21  -9.697  -8.168  -1.481
  144   2HD2  LEU  21          2HD2      LEU  21  -8.681  -6.823  -0.957
  145   3HD2  LEU  21          3HD2      LEU  21  -9.556  -7.784   0.235
  146    H    VAL  22           H        VAL  22  -4.921 -10.213  -0.431
  147    HA   VAL  22           HA       VAL  22  -4.607  -9.296   2.339
  148    HB   VAL  22           HB       VAL  22  -2.699 -10.862   0.677
  149   1HG1  VAL  22          1HG1      VAL  22  -1.441  -8.804   0.666
  150   2HG1  VAL  22          2HG1      VAL  22  -0.737  -9.860   1.890
  151   3HG1  VAL  22          3HG1      VAL  22  -1.782  -8.523   2.370
  152   1HG2  VAL  22          1HG2      VAL  22  -3.159 -10.422   3.617
  153   2HG2  VAL  22          2HG2      VAL  22  -1.977 -11.544   2.941
  154   3HG2  VAL  22          3HG2      VAL  22  -3.697 -11.790   2.641
  155    H    GLU  23           H        GLU  23  -4.976  -7.177   2.279
  156    HA   GLU  23           HA       GLU  23  -4.047  -5.760  -0.121
  157   1HB   GLU  23          2HB       GLU  23  -5.822  -4.259  -0.016
  158   2HB   GLU  23          1HB       GLU  23  -6.545  -5.814   0.341
  159   1HG   GLU  23          2HG       GLU  23  -6.865  -5.293   2.583
  160   2HG   GLU  23          1HG       GLU  23  -5.713  -3.963   2.533
  161    H    ILE  24           H        ILE  24  -3.488  -3.560   0.111
  162    HA   ILE  24           HA       ILE  24  -2.230  -2.857   2.667
  163    HB   ILE  24           HB       ILE  24  -0.965  -2.638  -0.068
  164   1HG1  ILE  24          2HG1      ILE  24  -1.109  -4.978   0.824
  165   2HG1  ILE  24          1HG1      ILE  24   0.539  -4.418   0.532
  166   1HG2  ILE  24          1HG2      ILE  24  -0.291  -0.847   1.404
  167   2HG2  ILE  24          2HG2      ILE  24   1.051  -1.962   1.143
  168   3HG2  ILE  24          3HG2      ILE  24   0.144  -2.013   2.655
  169   1HD1  ILE  24          1HD1      ILE  24   0.343  -5.658   2.627
  170   2HD1  ILE  24          2HD1      ILE  24  -0.858  -4.506   3.214
  171   3HD1  ILE  24          3HD1      ILE  24   0.802  -3.982   2.924
  172    H    GLN  25           H        GLN  25  -3.428  -1.034   3.176
  173    HA   GLN  25           HA       GLN  25  -4.047   0.750   0.928
  174   1HB   GLN  25          2HB       GLN  25  -6.050  -0.111   1.882
  175   2HB   GLN  25          1HB       GLN  25  -5.527   0.293   3.517
  176   1HG   GLN  25          2HG       GLN  25  -5.609   2.551   1.680
  177   2HG   GLN  25          1HG       GLN  25  -7.172   1.788   1.931
  178   1HE2  GLN  25          1HE2      GLN  25  -4.598   2.046   4.356
  179   2HE2  GLN  25          2HE2      GLN  25  -5.487   3.091   5.410
  180    H    LEU  26           H        LEU  26  -3.516   2.799   0.952
  181    HA   LEU  26           HA       LEU  26  -2.364   3.888   3.416
  182   1HB   LEU  26          2HB       LEU  26  -1.608   4.264   0.555
  183   2HB   LEU  26          1HB       LEU  26  -1.377   5.596   1.670
  184    HG   LEU  26           HG       LEU  26   0.684   4.423   1.478
  185   1HD1  LEU  26          1HD1      LEU  26  -0.670   3.747   4.074
  186   2HD1  LEU  26          2HD1      LEU  26   0.199   5.235   3.686
  187   3HD1  LEU  26          3HD1      LEU  26   1.070   3.705   3.794
  188   1HD2  LEU  26          1HD2      LEU  26   0.923   2.056   2.022
  189   2HD2  LEU  26          2HD2      LEU  26  -0.160   2.296   0.649
  190   3HD2  LEU  26          3HD2      LEU  26  -0.822   1.930   2.242
  191    HA   PRO  27           HA       PRO  27  -5.801   6.669   3.204
  192   1HB   PRO  27          2HB       PRO  27  -5.042   8.425   5.066
  193   2HB   PRO  27          1HB       PRO  27  -5.466   6.760   5.503
  194   1HG   PRO  27          2HG       PRO  27  -2.746   7.972   5.068
  195   2HG   PRO  27          1HG       PRO  27  -3.314   6.927   6.391
  196   1HD   PRO  27          2HD       PRO  27  -1.900   6.009   4.271
  197   2HD   PRO  27          1HD       PRO  27  -3.085   5.020   5.142
  198    H    SER  28           H        SER  28  -3.003   7.152   1.761
  199    HA   SER  28           HA       SER  28  -2.004   8.695   0.473
  200   1HB   SER  28          2HB       SER  28  -4.393   9.042  -0.351
  201   2HB   SER  28          1HB       SER  28  -4.449  10.438   0.730
  202    HG   SER  28           HG       SER  28  -2.689   9.993  -1.459
  203    H    ASN  29           H        ASN  29  -3.918  10.488   2.815
  204    HA   ASN  29           HA       ASN  29  -3.467  12.257   4.167
  205   1HB   ASN  29          2HB       ASN  29  -0.534  11.620   4.117
  206   2HB   ASN  29          1HB       ASN  29  -1.486  12.264   5.442
  207   1HD2  ASN  29          1HD2      ASN  29  -0.121   9.543   4.019
  208   2HD2  ASN  29          2HD2      ASN  29  -0.765   8.347   5.092
  209    HA   PRO  30           HA       PRO  30  -2.248  13.825  -0.061
  210   1HB   PRO  30          2HB       PRO  30  -4.178  15.914   0.873
  211   2HB   PRO  30          1HB       PRO  30  -3.997  15.183  -0.731
  212   1HG   PRO  30          2HG       PRO  30  -5.939  14.317   0.786
  213   2HG   PRO  30          1HG       PRO  30  -4.889  13.122  -0.008
  214   1HD   PRO  30          2HD       PRO  30  -4.828  14.077   2.828
  215   2HD   PRO  30          1HD       PRO  30  -4.735  12.416   2.200
  216    H    THR  31           H        THR  31  -0.349  14.623  -0.126
  217    HA   THR  31           HA       THR  31   0.668  16.453   1.825
  218    HB   THR  31           HB       THR  31   2.783  16.198   0.485
  219    HG1  THR  31           1HG      THR  31   1.634  14.085  -0.942
  220   1HG2  THR  31          1HG2      THR  31   2.114  14.646   2.354
  221   2HG2  THR  31          2HG2      THR  31   3.179  13.924   1.145
  222   3HG2  THR  31          3HG2      THR  31   1.452  13.562   1.122
  223    H    THR  32           H        THR  32   0.989  16.560  -1.684
  224    HA   THR  32           HA       THR  32   0.014  19.194  -2.047
  225    HB   THR  32           HB       THR  32   1.993  19.868  -0.815
  226    HG1  THR  32           1HG      THR  32   1.751  20.398  -3.533
  227   1HG2  THR  32          1HG2      THR  32   3.568  18.264  -2.840
  228   2HG2  THR  32          2HG2      THR  32   3.366  17.875  -1.133
  229   3HG2  THR  32          3HG2      THR  32   4.260  19.319  -1.607
  230    H    GLY  33           H        GLY  33   1.375  16.288  -3.080
  231   1HA   GLY  33          2HA       GLY  33   0.475  16.471  -5.708
  232   2HA   GLY  33          1HA       GLY  33   2.177  16.911  -5.712
  233    H    PHE  34           H        PHE  34   2.989  15.212  -3.598
  234    HA   PHE  34           HA       PHE  34   3.527  12.775  -4.731
  235   1HB   PHE  34          2HB       PHE  34   3.055  13.210  -1.777
  236   2HB   PHE  34          1HB       PHE  34   4.071  11.986  -2.520
  237    HD1  PHE  34           1HD      PHE  34   4.003  15.180  -1.039
  238    HD2  PHE  34           2HD      PHE  34   6.034  12.865  -3.965
  239    HE1  PHE  34           1HE      PHE  34   5.935  16.696  -0.891
  240    HE2  PHE  34           2HE      PHE  34   7.969  14.369  -3.824
  241    HZ   PHE  34           HZ       PHE  34   7.914  16.292  -2.233
  242    H    ALA  35           H        ALA  35   2.519  10.874  -4.949
  243    HA   ALA  35           HA       ALA  35   0.099  10.318  -3.391
  244   1HB   ALA  35          1HB       ALA  35  -0.605  11.026  -5.662
  245   2HB   ALA  35          2HB       ALA  35  -0.991   9.335  -5.350
  246   3HB   ALA  35          3HB       ALA  35   0.397   9.750  -6.356
  247    H    TRP  36           H        TRP  36  -0.236   7.973  -3.091
  248    HA   TRP  36           HA       TRP  36   2.353   6.726  -2.755
  249   1HB   TRP  36          2HB       TRP  36  -0.390   5.688  -2.013
  250   2HB   TRP  36          1HB       TRP  36   1.133   4.881  -1.659
  251    HD1  TRP  36           HD       TRP  36  -1.113   7.690  -0.409
  252    HE1  TRP  36           1HE      TRP  36  -0.266   8.429   1.892
  253    HE3  TRP  36           3HE      TRP  36   3.338   5.176  -0.328
  254    HZ2  TRP  36           2HZ      TRP  36   1.951   7.989   3.547
  255    HZ3  TRP  36           3HZ      TRP  36   4.777   5.396   1.652
  256    HH2  TRP  36           HH       TRP  36   4.095   6.777   3.561
  257    H    TYR  37           H        TYR  37   3.239   5.840  -4.490
  258    HA   TYR  37           HA       TYR  37   1.678   3.771  -5.906
  259   1HB   TYR  37          2HB       TYR  37   4.031   5.441  -6.779
  260   2HB   TYR  37          1HB       TYR  37   3.643   3.922  -7.574
  261    HD1  TYR  37           1HD      TYR  37   2.859   7.406  -7.251
  262    HD2  TYR  37           2HD      TYR  37   1.407   3.695  -8.758
  263    HE1  TYR  37           1HE      TYR  37   1.246   8.616  -8.653
  264    HE2  TYR  37           2HE      TYR  37  -0.209   4.904 -10.172
  265    HH   TYR  37           HH       TYR  37  -1.380   7.158 -10.109
  266    H    PHE  38           H        PHE  38   3.300   1.853  -6.576
  267    HA   PHE  38           HA       PHE  38   4.744   0.982  -4.294
  268   1HB   PHE  38          2HB       PHE  38   4.055  -0.117  -6.832
  269   2HB   PHE  38          1HB       PHE  38   5.801  -0.241  -6.628
  270    HD1  PHE  38           1HD      PHE  38   2.572  -1.473  -5.584
  271    HD2  PHE  38           2HD      PHE  38   6.732  -1.480  -4.693
  272    HE1  PHE  38           1HE      PHE  38   2.251  -3.426  -4.131
  273    HE2  PHE  38           2HE      PHE  38   6.417  -3.440  -3.237
  274    HZ   PHE  38           HZ       PHE  38   4.174  -4.415  -2.954
  275    H    GLU  39           H        GLU  39   6.152   1.442  -7.506
  276    HA   GLU  39           HA       GLU  39   8.372   2.900  -6.246
  277   1HB   GLU  39          2HB       GLU  39   8.296   1.416  -8.877
  278   2HB   GLU  39          1HB       GLU  39   9.681   2.304  -8.257
  279   1HG   GLU  39          2HG       GLU  39   9.691   0.778  -6.290
  280   2HG   GLU  39          1HG       GLU  39   8.429  -0.166  -7.085
  281    H    GLY  40           H        GLY  40   5.649   3.247  -8.151
  282   1HA   GLY  40          2HA       GLY  40   5.070   5.624  -8.611
  283   2HA   GLY  40          1HA       GLY  40   6.690   5.782  -9.275
  284    H    GLY  41           H        GLY  41   3.465   5.165  -9.967
  285   1HA   GLY  41          2HA       GLY  41   2.438   4.903 -12.021
  286   2HA   GLY  41          1HA       GLY  41   4.027   4.798 -12.762
  287    H    THR  42           H        THR  42   4.535   2.619 -10.624
  288    HA   THR  42           HA       THR  42   3.153   0.421 -12.009
  289    HB   THR  42           HB       THR  42   6.011   0.248 -11.058
  290    HG1  THR  42           1HG      THR  42   6.643   1.273 -12.794
  291   1HG2  THR  42          1HG2      THR  42   6.119  -1.633 -12.615
  292   2HG2  THR  42          2HG2      THR  42   4.446  -1.346 -13.094
  293   3HG2  THR  42          3HG2      THR  42   4.817  -1.863 -11.448
  294    H    LYS  43           H        LYS  43   2.523  -1.297 -10.716
  295    HA   LYS  43           HA       LYS  43   3.396  -1.316  -7.937
  296   1HB   LYS  43          2HB       LYS  43   1.372  -0.996  -6.966
  297   2HB   LYS  43          1HB       LYS  43   1.061  -0.095  -8.431
  298   1HG   LYS  43          2HG       LYS  43   0.263  -2.966  -8.025
  299   2HG   LYS  43          1HG       LYS  43  -0.796  -1.585  -7.746
  300   1HD   LYS  43          2HD       LYS  43   0.481  -2.366 -10.368
  301   2HD   LYS  43          1HD       LYS  43  -1.216  -2.570  -9.933
  302   1HE   LYS  43          2HE       LYS  43  -1.526  -0.186  -9.828
  303   2HE   LYS  43          1HE       LYS  43   0.201   0.088 -10.062
  304   1HZ   LYS  43          1HZ       LYS  43  -0.873   0.447 -12.127
  305   2HZ   LYS  43          2HZ       LYS  43  -1.729  -1.015 -12.033
  306   3HZ   LYS  43          3HZ       LYS  43  -0.046  -1.029 -12.256
  307    H    GLU  44           H        GLU  44   3.400  -3.387  -7.002
  308    HA   GLU  44           HA       GLU  44   2.742  -5.583  -8.822
  309   1HB   GLU  44          2HB       GLU  44   4.994  -6.591  -8.313
  310   2HB   GLU  44          1HB       GLU  44   5.007  -5.174  -9.351
  311   1HG   GLU  44          2HG       GLU  44   5.580  -3.797  -7.371
  312   2HG   GLU  44          1HG       GLU  44   5.703  -5.281  -6.429
  313    H    SER  45           H        SER  45   2.931  -7.716  -7.839
  314    HA   SER  45           HA       SER  45   2.631  -7.755  -4.888
  315   1HB   SER  45          2HB       SER  45   0.819  -9.494  -5.296
  316   2HB   SER  45          1HB       SER  45   0.386  -7.841  -5.726
  317    HG   SER  45           HG       SER  45   1.530  -9.414  -7.724
  318    HA   PRO  46           HA       PRO  46   5.681 -11.054  -5.530
  319   1HB   PRO  46          2HB       PRO  46   4.890 -11.799  -2.783
  320   2HB   PRO  46          1HB       PRO  46   6.485 -11.398  -3.424
  321   1HG   PRO  46          2HG       PRO  46   5.137  -9.712  -1.829
  322   2HG   PRO  46          1HG       PRO  46   6.179  -9.133  -3.142
  323   1HD   PRO  46          2HD       PRO  46   3.194  -9.309  -3.020
  324   2HD   PRO  46          1HD       PRO  46   4.230  -8.082  -3.780
  325    H    ASN  47           H        ASN  47   5.631 -13.277  -5.854
  326    HA   ASN  47           HA       ASN  47   4.767 -15.327  -6.313
  327   1HB   ASN  47          2HB       ASN  47   2.751 -14.542  -4.221
  328   2HB   ASN  47          1HB       ASN  47   2.787 -16.125  -4.979
  329   1HD2  ASN  47          1HD2      ASN  47   3.110 -15.436  -2.193
  330   2HD2  ASN  47          2HD2      ASN  47   4.658 -16.032  -1.720
  331    H    GLU  48           H        GLU  48   4.241 -13.361  -8.081
  332    HA   GLU  48           HA       GLU  48   1.392 -13.232  -8.627
  333   1HB   GLU  48          2HB       GLU  48   1.932 -11.518 -10.221
  334   2HB   GLU  48          1HB       GLU  48   2.830 -11.199  -8.745
  335   1HG   GLU  48          2HG       GLU  48   3.961 -12.471 -11.234
  336   2HG   GLU  48          1HG       GLU  48   4.133 -10.777 -10.785
  337    H    SER  49           H        SER  49   2.762 -15.774  -8.950
  338    HA   SER  49           HA       SER  49   2.979 -16.178 -11.819
  339   1HB   SER  49          2HB       SER  49   3.226 -18.163  -9.548
  340   2HB   SER  49          1HB       SER  49   3.645 -18.463 -11.236
  341    HG   SER  49           HG       SER  49   5.131 -17.340  -9.310
  342    H    MET  50           H        MET  50   0.400 -15.653 -10.175
  343    HA   MET  50           HA       MET  50  -1.393 -17.151 -11.731
  344   1HB   MET  50          2HB       MET  50  -2.362 -18.583  -9.919
  345   2HB   MET  50          1HB       MET  50  -0.776 -19.074 -10.491
  346   1HG   MET  50          2HG       MET  50   0.243 -17.989  -8.533
  347   2HG   MET  50          1HG       MET  50  -1.369 -17.565  -7.956
  348   1HE   MET  50          1HE       MET  50  -0.721 -18.746  -5.615
  349   2HE   MET  50          2HE       MET  50   0.856 -19.161  -6.284
  350   3HE   MET  50          3HE       MET  50  -0.127 -20.402  -5.509
  351    H    PHE  51           H        PHE  51  -0.700 -15.371  -8.846
  352    HA   PHE  51           HA       PHE  51  -3.389 -14.197  -8.886
  353   1HB   PHE  51          2HB       PHE  51  -1.764 -15.311  -6.650
  354   2HB   PHE  51          1HB       PHE  51  -2.755 -13.901  -6.299
  355    HD1  PHE  51           1HD      PHE  51  -3.045 -17.216  -8.009
  356    HD2  PHE  51           2HD      PHE  51  -4.900 -14.267  -5.561
  357    HE1  PHE  51           1HE      PHE  51  -5.001 -18.676  -7.730
  358    HE2  PHE  51           2HE      PHE  51  -6.858 -15.724  -5.284
  359    HZ   PHE  51           HZ       PHE  51  -6.944 -17.901  -6.440
  360    H    THR  52           H        THR  52  -3.302 -11.906  -7.703
  361    HA   THR  52           HA       THR  52  -0.915 -10.467  -8.373
  362    HB   THR  52           HB       THR  52  -1.805 -11.093 -10.628
  363    HG1  THR  52           1HG      THR  52  -0.535  -9.286 -10.604
  364   1HG2  THR  52          1HG2      THR  52  -3.778  -9.918 -11.475
  365   2HG2  THR  52          2HG2      THR  52  -4.061  -9.234  -9.875
  366   3HG2  THR  52          3HG2      THR  52  -4.194 -10.974 -10.126
  367    H    VAL  53           H        VAL  53  -1.328  -8.072  -8.480
  368    HA   VAL  53           HA       VAL  53  -3.121  -7.379  -6.264
  369    HB   VAL  53           HB       VAL  53  -0.762  -6.930  -5.872
  370   1HG1  VAL  53          1HG1      VAL  53   0.475  -5.297  -7.224
  371   2HG1  VAL  53          2HG1      VAL  53  -0.894  -5.193  -8.332
  372   3HG1  VAL  53          3HG1      VAL  53  -0.010  -6.710  -8.164
  373   1HG2  VAL  53          1HG2      VAL  53  -0.861  -4.536  -5.336
  374   2HG2  VAL  53          2HG2      VAL  53  -2.341  -5.378  -4.875
  375   3HG2  VAL  53          3HG2      VAL  53  -2.311  -4.381  -6.330
  376    H    GLU  54           H        GLU  54  -4.683  -5.845  -6.482
  377    HA   GLU  54           HA       GLU  54  -4.851  -4.330  -9.016
  378   1HB   GLU  54          2HB       GLU  54  -7.260  -4.062  -8.517
  379   2HB   GLU  54          1HB       GLU  54  -6.809  -5.755  -8.676
  380   1HG   GLU  54          2HG       GLU  54  -6.960  -6.124  -6.365
  381   2HG   GLU  54          1HG       GLU  54  -6.965  -4.399  -6.009
  382    H    ASN  55           H        ASN  55  -5.134  -2.098  -8.896
  383    HA   ASN  55           HA       ASN  55  -4.533  -0.978  -6.240
  384   1HB   ASN  55          2HB       ASN  55  -3.353   0.799  -7.308
  385   2HB   ASN  55          1HB       ASN  55  -2.779  -0.713  -8.002
  386   1HD2  ASN  55          1HD2      ASN  55  -4.439   2.247  -8.577
  387   2HD2  ASN  55          2HD2      ASN  55  -4.577   2.092 -10.292
  388    H    LYS  56           H        LYS  56  -5.385   1.137  -5.743
  389    HA   LYS  56           HA       LYS  56  -7.200   2.469  -7.487
  390   1HB   LYS  56          2HB       LYS  56  -9.208   2.390  -6.078
  391   2HB   LYS  56          1HB       LYS  56  -8.782   0.790  -6.662
  392   1HG   LYS  56          2HG       LYS  56  -7.899   1.693  -3.958
  393   2HG   LYS  56          1HG       LYS  56  -9.538   1.091  -4.216
  394   1HD   LYS  56          2HD       LYS  56  -7.089  -0.449  -5.044
  395   2HD   LYS  56          1HD       LYS  56  -7.803  -0.599  -3.437
  396   1HE   LYS  56          2HE       LYS  56  -8.672  -2.365  -4.715
  397   2HE   LYS  56          1HE       LYS  56  -9.966  -1.183  -4.579
  398   1HZ   LYS  56          1HZ       LYS  56  -9.592  -2.231  -6.840
  399   2HZ   LYS  56          2HZ       LYS  56  -8.195  -1.282  -6.953
  400   3HZ   LYS  56          3HZ       LYS  56  -9.709  -0.540  -6.806
  401    H    TYR  57           H        TYR  57  -6.558   4.511  -7.179
  402    HA   TYR  57           HA       TYR  57  -5.587   5.180  -4.486
  403   1HB   TYR  57          2HB       TYR  57  -4.779   6.632  -6.946
  404   2HB   TYR  57          1HB       TYR  57  -3.999   6.612  -5.381
  405    HD1  TYR  57           1HD      TYR  57  -3.284   5.750  -8.536
  406    HD2  TYR  57           2HD      TYR  57  -3.693   3.848  -4.745
  407    HE1  TYR  57           1HE      TYR  57  -1.803   3.935  -9.283
  408    HE2  TYR  57           2HE      TYR  57  -2.210   2.039  -5.487
  409    HH   TYR  57           HH       TYR  57  -1.471   1.017  -7.568
  410    H    PHE  58           H        PHE  58  -6.999   6.305  -3.407
  411    HA   PHE  58           HA       PHE  58  -8.266   8.600  -4.721
  412   1HB   PHE  58          2HB       PHE  58  -9.123   7.035  -2.295
  413   2HB   PHE  58          1HB       PHE  58  -9.883   8.539  -2.814
  414    HD1  PHE  58           1HD      PHE  58  -9.303   5.013  -3.690
  415    HD2  PHE  58           2HD      PHE  58 -11.398   8.590  -4.645
  416    HE1  PHE  58           1HE      PHE  58 -10.785   3.742  -5.188
  417    HE2  PHE  58           2HE      PHE  58 -12.884   7.327  -6.143
  418    HZ   PHE  58           HZ       PHE  58 -12.555   4.909  -6.452
  419    HA   PRO  59           HA       PRO  59  -5.610  10.706  -1.743
  420   1HB   PRO  59          2HB       PRO  59  -4.829  12.646  -3.543
  421   2HB   PRO  59          1HB       PRO  59  -4.059  11.070  -3.353
  422   1HG   PRO  59          2HG       PRO  59  -5.512  12.022  -5.617
  423   2HG   PRO  59          1HG       PRO  59  -4.834  10.404  -5.363
  424   1HD   PRO  59          2HD       PRO  59  -7.623  11.366  -4.919
  425   2HD   PRO  59          1HD       PRO  59  -7.034   9.768  -5.431
  426    HA   PRO  60           HA       PRO  60  -8.491  14.320  -1.284
  427   1HB   PRO  60          2HB       PRO  60 -10.677  13.228  -0.034
  428   2HB   PRO  60          1HB       PRO  60 -10.581  13.594  -1.757
  429   1HG   PRO  60          2HG       PRO  60 -10.747  11.050  -0.491
  430   2HG   PRO  60          1HG       PRO  60 -10.663  11.394  -2.222
  431   1HD   PRO  60          2HD       PRO  60  -8.530  10.568  -0.359
  432   2HD   PRO  60          1HD       PRO  60  -8.620  10.385  -2.121
  433    H    ASP  61           H        ASP  61  -9.406  15.078   0.915
  434    HA   ASP  61           HA       ASP  61  -7.635  14.097   3.058
  435   1HB   ASP  61          2HB       ASP  61  -6.475  15.924   1.908
  436   2HB   ASP  61          1HB       ASP  61  -7.905  16.942   2.081
  437    H    SER  62           H        SER  62  -9.611  16.991   2.678
  438    HA   SER  62           HA       SER  62 -11.854  16.063   4.014
  439   1HB   SER  62          2HB       SER  62 -11.637  17.406   6.142
  440   2HB   SER  62          1HB       SER  62 -10.585  15.995   6.042
  441    HG   SER  62           HG       SER  62  -8.914  17.483   5.293
  442    H    LYS  63           H        LYS  63  -9.890  18.796   3.082
  443    HA   LYS  63           HA       LYS  63 -12.352  20.290   2.556
  444   1HB   LYS  63          2HB       LYS  63 -11.342  22.380   3.262
  445   2HB   LYS  63          1HB       LYS  63 -11.309  21.224   4.575
  446   1HG   LYS  63          2HG       LYS  63  -8.962  22.004   2.849
  447   2HG   LYS  63          1HG       LYS  63  -9.280  22.571   4.487
  448   1HD   LYS  63          2HD       LYS  63  -9.194  20.122   5.183
  449   2HD   LYS  63          1HD       LYS  63  -8.529  19.806   3.573
  450   1HE   LYS  63          2HE       LYS  63  -6.621  21.136   3.996
  451   2HE   LYS  63          1HE       LYS  63  -7.326  21.811   5.467
  452   1HZ   LYS  63          1HZ       LYS  63  -7.120  19.744   6.568
  453   2HZ   LYS  63          2HZ       LYS  63  -5.623  20.034   5.822
  454   3HZ   LYS  63          3HZ       LYS  63  -6.714  18.923   5.138
  455    H    LEU  64           H        LEU  64  -8.896  20.844   1.921
  456    HA   LEU  64           HA       LEU  64  -9.103  21.826  -0.675
  457   1HB   LEU  64          2HB       LEU  64  -6.958  20.083   0.490
  458   2HB   LEU  64          1HB       LEU  64  -6.761  21.164  -0.881
  459    HG   LEU  64           HG       LEU  64  -7.325  22.049   1.955
  460   1HD1  LEU  64          1HD1      LEU  64  -5.020  22.848   1.955
  461   2HD1  LEU  64          2HD1      LEU  64  -4.775  22.160   0.349
  462   3HD1  LEU  64          3HD1      LEU  64  -5.089  21.101   1.723
  463   1HD2  LEU  64          1HD2      LEU  64  -8.229  23.587   0.293
  464   2HD2  LEU  64          2HD2      LEU  64  -6.665  23.643  -0.521
  465   3HD2  LEU  64          3HD2      LEU  64  -6.835  24.293   1.110
  466    H    LEU  65           H        LEU  65  -7.857  18.655   0.208
  467    HA   LEU  65           HA       LEU  65  -9.069  17.419  -2.079
  468   1HB   LEU  65          2HB       LEU  65  -7.396  16.322   0.178
  469   2HB   LEU  65          1HB       LEU  65  -8.060  15.334  -1.105
  470    HG   LEU  65           HG       LEU  65  -5.799  15.660  -1.641
  471   1HD1  LEU  65          1HD1      LEU  65  -7.318  15.913  -3.525
  472   2HD1  LEU  65          2HD1      LEU  65  -5.871  16.895  -3.736
  473   3HD1  LEU  65          3HD1      LEU  65  -7.385  17.654  -3.250
  474   1HD2  LEU  65          1HD2      LEU  65  -4.717  17.849  -1.752
  475   2HD2  LEU  65          2HD2      LEU  65  -5.315  17.503  -0.130
  476   3HD2  LEU  65          3HD2      LEU  65  -6.197  18.617  -1.176
  477    H    GLY  66           H        GLY  66 -10.732  15.718  -1.715
  478   1HA   GLY  66          2HA       GLY  66 -12.438  17.262   0.054
  479   2HA   GLY  66          1HA       GLY  66 -12.995  16.285  -1.300
  480    H    ALA  67           H        ALA  67 -10.897  15.360   1.332
  481    HA   ALA  67           HA       ALA  67 -10.969  13.746   2.928
  482   1HB   ALA  67          1HB       ALA  67 -13.954  13.973   2.740
  483   2HB   ALA  67          2HB       ALA  67 -12.912  14.927   3.798
  484   3HB   ALA  67          3HB       ALA  67 -13.037  13.176   4.017
  485    H    GLY  68           H        GLY  68 -10.912  11.560   3.088
  486   1HA   GLY  68          2HA       GLY  68 -11.979   9.432   2.399
  487   2HA   GLY  68          1HA       GLY  68 -12.153  10.180   0.809
  488    H    GLY  69           H        GLY  69  -9.219  10.701   2.637
  489   1HA   GLY  69          2HA       GLY  69  -7.592   9.940   0.512
  490   2HA   GLY  69          1HA       GLY  69  -7.064  10.059   2.187
  491    H    THR  70           H        THR  70  -7.492   8.014  -0.407
  492    HA   THR  70           HA       THR  70  -7.019   5.663   1.172
  493    HB   THR  70           HB       THR  70  -9.005   4.511  -0.030
  494    HG1  THR  70           1HG      THR  70  -9.769   7.240  -0.061
  495   1HG2  THR  70          1HG2      THR  70 -10.258   4.707   1.969
  496   2HG2  THR  70          2HG2      THR  70  -9.671   6.350   2.260
  497   3HG2  THR  70          3HG2      THR  70  -8.572   4.970   2.450
  498    H    GLU  71           H        GLU  71  -5.160   5.633  -0.060
  499    HA   GLU  71           HA       GLU  71  -5.511   4.797  -2.858
  500   1HB   GLU  71          2HB       GLU  71  -2.991   5.610  -1.379
  501   2HB   GLU  71          1HB       GLU  71  -3.081   5.177  -3.080
  502   1HG   GLU  71          2HG       GLU  71  -4.601   7.104  -3.438
  503   2HG   GLU  71          1HG       GLU  71  -4.355   7.562  -1.754
  504    H    HIS  72           H        HIS  72  -5.860   2.663  -2.912
  505    HA   HIS  72           HA       HIS  72  -4.607   1.014  -0.818
  506   1HB   HIS  72          2HB       HIS  72  -6.942   0.365  -2.589
  507   2HB   HIS  72          1HB       HIS  72  -6.276  -0.682  -1.355
  508    HD1  HIS  72           1HD      HIS  72  -7.805  -0.826   0.509
  509    HD2  HIS  72           2HD      HIS  72  -7.750   3.003  -1.104
  510    HE1  HIS  72           1HE      HIS  72  -9.655   0.407   1.630
  511    HE2  HIS  72           2HE      HIS  72  -9.759   2.642   0.500
  512    H    PHE  73           H        PHE  73  -3.616  -0.838  -1.269
  513    HA   PHE  73           HA       PHE  73  -3.214  -1.635  -4.073
  514   1HB   PHE  73          2HB       PHE  73  -1.341  -1.636  -1.707
  515   2HB   PHE  73          1HB       PHE  73  -1.013  -2.577  -3.163
  516    HD1  PHE  73           1HD      PHE  73   0.141  -1.584  -4.916
  517    HD2  PHE  73           2HD      PHE  73  -1.777   0.885  -2.033
  518    HE1  PHE  73           1HE      PHE  73   1.167   0.403  -5.942
  519    HE2  PHE  73           2HE      PHE  73  -0.740   2.878  -3.043
  520    HZ   PHE  73           HZ       PHE  73   0.728   2.638  -5.004
  521    H    HIS  74           H        HIS  74  -4.533  -3.381  -4.305
  522    HA   HIS  74           HA       HIS  74  -4.914  -5.142  -1.969
  523   1HB   HIS  74          2HB       HIS  74  -6.553  -4.689  -4.465
  524   2HB   HIS  74          1HB       HIS  74  -6.846  -6.033  -3.378
  525    HD1  HIS  74           1HD      HIS  74  -9.244  -5.019  -3.109
  526    HD2  HIS  74           2HD      HIS  74  -6.158  -2.684  -1.554
  527    HE1  HIS  74           1HE      HIS  74 -10.348  -3.320  -1.625
  528    HE2  HIS  74           2HE      HIS  74  -8.437  -2.203  -0.441
  529    H    VAL  75           H        VAL  75  -3.389  -6.753  -2.057
  530    HA   VAL  75           HA       VAL  75  -2.949  -7.945  -4.689
  531    HB   VAL  75           HB       VAL  75  -0.782  -7.745  -4.159
  532   1HG1  VAL  75          1HG1      VAL  75   0.132  -7.242  -2.004
  533   2HG1  VAL  75          2HG1      VAL  75  -1.403  -7.627  -1.220
  534   3HG1  VAL  75          3HG1      VAL  75  -1.286  -6.235  -2.299
  535   1HG2  VAL  75          1HG2      VAL  75  -1.016 -10.133  -3.958
  536   2HG2  VAL  75          2HG2      VAL  75  -1.392  -9.986  -2.238
  537   3HG2  VAL  75          3HG2      VAL  75   0.212  -9.555  -2.831
  538    H    THR  76           H        THR  76  -4.031  -9.607  -5.132
  539    HA   THR  76           HA       THR  76  -5.125 -11.286  -3.004
  540    HB   THR  76           HB       THR  76  -5.877 -11.225  -5.942
  541    HG1  THR  76           1HG      THR  76  -7.294  -9.680  -5.473
  542   1HG2  THR  76          1HG2      THR  76  -6.472 -13.305  -4.821
  543   2HG2  THR  76          2HG2      THR  76  -7.921 -12.363  -5.172
  544   3HG2  THR  76          3HG2      THR  76  -7.271 -12.402  -3.534
  545    H    VAL  77           H        VAL  77  -3.686 -12.791  -2.560
  546    HA   VAL  77           HA       VAL  77  -2.831 -14.614  -4.657
  547    HB   VAL  77           HB       VAL  77  -0.972 -13.040  -4.593
  548   1HG1  VAL  77          1HG1      VAL  77  -0.843 -13.576  -1.628
  549   2HG1  VAL  77          2HG1      VAL  77  -1.362 -12.073  -2.389
  550   3HG1  VAL  77          3HG1      VAL  77   0.309 -12.614  -2.554
  551   1HG2  VAL  77          1HG2      VAL  77   0.865 -14.533  -4.018
  552   2HG2  VAL  77          2HG2      VAL  77  -0.416 -15.420  -4.846
  553   3HG2  VAL  77          3HG2      VAL  77  -0.234 -15.558  -3.093
  554    H    LYS  78           H        LYS  78  -2.534 -16.723  -3.884
  555    HA   LYS  78           HA       LYS  78  -2.161 -16.945  -1.009
  556   1HB   LYS  78          2HB       LYS  78  -3.604 -18.728  -0.703
  557   2HB   LYS  78          1HB       LYS  78  -4.507 -17.663  -1.750
  558   1HG   LYS  78          2HG       LYS  78  -3.012 -20.098  -2.687
  559   2HG   LYS  78          1HG       LYS  78  -4.730 -20.064  -2.293
  560   1HD   LYS  78          2HD       LYS  78  -5.071 -18.373  -4.048
  561   2HD   LYS  78          1HD       LYS  78  -3.354 -18.471  -4.460
  562   1HE   LYS  78          2HE       LYS  78  -4.556 -19.848  -6.005
  563   2HE   LYS  78          1HE       LYS  78  -3.682 -20.910  -4.902
  564   1HZ   LYS  78          1HZ       LYS  78  -5.816 -21.823  -5.096
  565   2HZ   LYS  78          2HZ       LYS  78  -6.586 -20.318  -4.959
  566   3HZ   LYS  78          3HZ       LYS  78  -5.848 -21.014  -3.604
  567    H    ALA  79           H        ALA  79  -0.104 -17.367  -0.864
  568    HA   ALA  79           HA       ALA  79   1.020 -19.761  -1.899
  569   1HB   ALA  79          1HB       ALA  79   2.746 -18.741  -3.324
  570   2HB   ALA  79          2HB       ALA  79   1.971 -17.169  -3.117
  571   3HB   ALA  79          3HB       ALA  79   1.123 -18.467  -3.960
  572    H    ALA  80           H        ALA  80   3.349 -19.953  -1.278
  573    HA   ALA  80           HA       ALA  80   3.598 -18.785   1.382
  574   1HB   ALA  80          1HB       ALA  80   3.802 -21.208   1.159
  575   2HB   ALA  80          2HB       ALA  80   5.302 -20.498   1.757
  576   3HB   ALA  80          3HB       ALA  80   5.175 -20.998   0.069
  577    H    GLY  81           H        GLY  81   4.350 -16.730   1.078
  578   1HA   GLY  81          2HA       GLY  81   7.200 -16.530   0.608
  579   2HA   GLY  81          1HA       GLY  81   6.220 -15.675  -0.578
  580    H    THR  82           H        THR  82   7.965 -14.247   1.009
  581    HA   THR  82           HA       THR  82   6.243 -13.116   3.096
  582    HB   THR  82           HB       THR  82   9.151 -12.424   2.702
  583    HG1  THR  82           1HG      THR  82   9.582 -14.414   3.289
  584   1HG2  THR  82          1HG2      THR  82   7.281 -12.374   5.078
  585   2HG2  THR  82          2HG2      THR  82   7.876 -10.972   4.185
  586   3HG2  THR  82          3HG2      THR  82   8.995 -11.959   5.129
  587    H    HIS  83           H        HIS  83   5.491 -11.091   2.979
  588    HA   HIS  83           HA       HIS  83   5.856  -9.761   0.383
  589   1HB   HIS  83          2HB       HIS  83   3.540 -10.615   1.305
  590   2HB   HIS  83          1HB       HIS  83   3.632  -9.187   2.320
  591    HD1  HIS  83           1HD      HIS  83   4.761  -7.184   0.197
  592    HD2  HIS  83           2HD      HIS  83   1.577  -9.788  -0.415
  593    HE1  HIS  83           1HE      HIS  83   3.363  -6.131  -1.613
  594    HE2  HIS  83           2HE      HIS  83   1.379  -7.657  -1.866
  595    H    ALA  84           H        ALA  84   7.489  -8.300   0.690
  596    HA   ALA  84           HA       ALA  84   7.237  -6.455   2.967
  597   1HB   ALA  84          1HB       ALA  84   9.484  -5.690   2.361
  598   2HB   ALA  84          2HB       ALA  84   9.482  -6.771   0.967
  599   3HB   ALA  84          3HB       ALA  84   9.460  -7.438   2.600
  600    H    VAL  85           H        VAL  85   6.021  -4.737   2.578
  601    HA   VAL  85           HA       VAL  85   5.595  -4.012  -0.241
  602    HB   VAL  85           HB       VAL  85   3.844  -3.027   1.956
  603   1HG1  VAL  85          1HG1      VAL  85   2.160  -3.120   0.189
  604   2HG1  VAL  85          2HG1      VAL  85   3.352  -3.820  -0.907
  605   3HG1  VAL  85          3HG1      VAL  85   3.569  -2.178  -0.303
  606   1HG2  VAL  85          1HG2      VAL  85   2.452  -5.028   1.812
  607   2HG2  VAL  85          2HG2      VAL  85   4.070  -5.418   2.404
  608   3HG2  VAL  85          3HG2      VAL  85   3.629  -5.775   0.732
  609    H    ASN  86           H        ASN  86   6.931  -2.443  -0.770
  610    HA   ASN  86           HA       ASN  86   7.165  -0.131   1.030
  611   1HB   ASN  86          2HB       ASN  86   9.304   0.276  -0.400
  612   2HB   ASN  86          1HB       ASN  86   9.339  -0.950   0.864
  613   1HD2  ASN  86          1HD2      ASN  86   8.871  -3.170   0.166
  614   2HD2  ASN  86          2HD2      ASN  86   9.484  -3.693  -1.373
  615    H    LEU  87           H        LEU  87   5.769   1.285   0.402
  616    HA   LEU  87           HA       LEU  87   5.275   1.699  -2.460
  617   1HB   LEU  87          2HB       LEU  87   3.594   2.332  -0.034
  618   2HB   LEU  87          1HB       LEU  87   3.155   2.757  -1.679
  619    HG   LEU  87           HG       LEU  87   3.597  -0.084  -0.747
  620   1HD1  LEU  87          1HD1      LEU  87   1.684   0.900   0.407
  621   2HD1  LEU  87          2HD1      LEU  87   1.168  -0.293  -0.784
  622   3HD1  LEU  87          3HD1      LEU  87   1.019   1.429  -1.139
  623   1HD2  LEU  87          1HD2      LEU  87   2.375   1.059  -3.240
  624   2HD2  LEU  87          2HD2      LEU  87   2.473  -0.652  -2.816
  625   3HD2  LEU  87          3HD2      LEU  87   3.947   0.269  -3.108
  626    H    THR  88           H        THR  88   5.693   3.620  -3.366
  627    HA   THR  88           HA       THR  88   7.146   5.514  -1.671
  628    HB   THR  88           HB       THR  88   7.237   5.373  -4.686
  629    HG1  THR  88           1HG      THR  88   7.945   3.382  -4.074
  630   1HG2  THR  88          1HG2      THR  88   9.436   6.417  -4.347
  631   2HG2  THR  88          2HG2      THR  88   9.170   6.411  -2.603
  632   3HG2  THR  88          3HG2      THR  88   8.148   7.397  -3.647
  633    H    TYR  89           H        TYR  89   6.236   7.317  -1.196
  634    HA   TYR  89           HA       TYR  89   3.780   8.189  -2.476
  635   1HB   TYR  89          2HB       TYR  89   4.239   8.012   0.051
  636   2HB   TYR  89          1HB       TYR  89   5.234   9.448  -0.139
  637    HD1  TYR  89           1HD      TYR  89   2.277   9.214  -2.192
  638    HD2  TYR  89           2HD      TYR  89   3.790  10.519   1.544
  639    HE1  TYR  89           1HE      TYR  89   0.289  10.618  -1.892
  640    HE2  TYR  89           2HE      TYR  89   1.808  11.928   1.857
  641    HH   TYR  89           HH       TYR  89  -0.972  11.654  -0.038
  642    H    MET  90           H        MET  90   4.615   8.955  -4.496
  643    HA   MET  90           HA       MET  90   6.553  11.194  -4.323
  644   1HB   MET  90          2HB       MET  90   6.160   9.205  -6.554
  645   2HB   MET  90          1HB       MET  90   7.220  10.599  -6.629
  646   1HG   MET  90          2HG       MET  90   8.495   9.649  -4.732
  647   2HG   MET  90          1HG       MET  90   7.490   8.202  -4.865
  648   1HE   MET  90          1HE       MET  90   7.117   8.711  -8.188
  649   2HE   MET  90          2HE       MET  90   7.141   7.090  -7.485
  650   3HE   MET  90          3HE       MET  90   8.245   7.495  -8.797
  651    H    ARG  91           H        ARG  91   6.341  12.892  -5.818
  652    HA   ARG  91           HA       ARG  91   3.765  13.479  -6.875
  653   1HB   ARG  91          2HB       ARG  91   6.409  14.740  -6.799
  654   2HB   ARG  91          1HB       ARG  91   5.607  14.968  -8.350
  655   1HG   ARG  91          2HG       ARG  91   3.693  15.956  -7.252
  656   2HG   ARG  91          1HG       ARG  91   4.420  15.668  -5.674
  657   1HD   ARG  91          2HD       ARG  91   5.645  17.385  -7.831
  658   2HD   ARG  91          1HD       ARG  91   4.656  18.010  -6.515
  659    HE   ARG  91           HE       ARG  91   6.494  16.842  -5.080
  660   1HH1  ARG  91          1HH1      ARG  91   6.944  18.598  -8.074
  661   2HH1  ARG  91          2HH1      ARG  91   8.553  19.129  -7.677
  662   1HH2  ARG  91          1HH2      ARG  91   8.617  17.570  -4.522
  663   2HH2  ARG  91          2HH2      ARG  91   9.495  18.555  -5.659
  664    HA   PRO  92           HA       PRO  92   4.208  10.188  -9.864
  665   1HB   PRO  92          2HB       PRO  92   2.027  11.053 -11.407
  666   2HB   PRO  92          1HB       PRO  92   1.984   9.888 -10.083
  667   1HG   PRO  92          2HG       PRO  92   1.357  12.807 -10.062
  668   2HG   PRO  92          1HG       PRO  92   0.590  11.483  -9.164
  669   1HD   PRO  92          2HD       PRO  92   2.270  13.171  -7.970
  670   2HD   PRO  92          1HD       PRO  92   2.279  11.437  -7.568
  671    H    TRP  93           H        TRP  93   4.049  13.578 -10.797
  672    HA   TRP  93           HA       TRP  93   4.922  12.940 -13.498
  673   1HB   TRP  93          2HB       TRP  93   4.723  15.412 -13.881
  674   2HB   TRP  93          1HB       TRP  93   3.229  14.610 -13.415
  675    HD1  TRP  93           HD       TRP  93   5.713  17.243 -12.229
  676    HE1  TRP  93           1HE      TRP  93   4.732  18.444 -10.166
  677    HE3  TRP  93           3HE      TRP  93   1.674  14.225 -11.381
  678    HZ2  TRP  93           2HZ      TRP  93   2.534  18.142  -8.424
  679    HZ3  TRP  93           3HZ      TRP  93   0.188  14.744  -9.495
  680    HH2  TRP  93           HH       TRP  93   0.608  16.669  -8.049
  681    H    THR  94           H        THR  94   6.454  13.381 -10.600
  682    HA   THR  94           HA       THR  94   8.981  13.646 -11.881
  683    HB   THR  94           HB       THR  94   8.532  15.991 -11.921
  684    HG1  THR  94           1HG      THR  94  10.649  15.317 -11.236
  685   1HG2  THR  94          1HG2      THR  94   7.935  15.816  -8.966
  686   2HG2  THR  94          2HG2      THR  94   6.774  16.156 -10.251
  687   3HG2  THR  94          3HG2      THR  94   8.059  17.309  -9.896
  688    H    GLY  95           H        GLY  95   7.640  14.348  -8.636
  689   1HA   GLY  95          2HA       GLY  95   8.115  13.468  -6.564
  690   2HA   GLY  95          1HA       GLY  95   8.276  11.945  -7.434
  691    HA   PRO  96           HA       PRO  96  12.752  14.065  -7.337
  692   1HB   PRO  96          2HB       PRO  96  12.129  15.705  -4.975
  693   2HB   PRO  96          1HB       PRO  96  13.253  16.036  -6.289
  694   1HG   PRO  96          2HG       PRO  96  10.921  17.277  -6.202
  695   2HG   PRO  96          1HG       PRO  96  11.547  16.666  -7.746
  696   1HD   PRO  96          2HD       PRO  96   9.399  15.557  -5.991
  697   2HD   PRO  96          1HD       PRO  96   9.507  15.587  -7.764
  698    H    SER  97           H        SER  97  14.036  12.598  -6.480
  699    HA   SER  97           HA       SER  97  13.292  10.836  -4.455
  700   1HB   SER  97          2HB       SER  97  15.077  10.483  -6.220
  701   2HB   SER  97          1HB       SER  97  16.136  11.506  -5.253
  702    HG   SER  97           HG       SER  97  16.203   9.105  -4.951
  703    H    HIS  98           H        HIS  98  13.626  10.784  -2.295
  704    HA   HIS  98           HA       HIS  98  14.218  11.384  -0.191
  705   1HB   HIS  98          2HB       HIS  98  15.928  13.528  -1.472
  706   2HB   HIS  98          1HB       HIS  98  15.918  13.125   0.240
  707    HD1  HIS  98           1HD      HIS  98  17.525  12.279  -2.917
  708    HD2  HIS  98           2HD      HIS  98  16.920  10.420   0.759
  709    HE1  HIS  98           1HE      HIS  98  19.184  10.394  -2.827
  710    HE2  HIS  98           2HE      HIS  98  18.940   9.420  -0.521
  711    H    ASP  99           H        ASP  99  12.595  13.353  -2.393
  712    HA   ASP  99           HA       ASP  99  11.689  15.173  -0.264
  713   1HB   ASP  99          2HB       ASP  99  12.289  16.153  -2.484
  714   2HB   ASP  99          1HB       ASP  99  11.002  15.204  -3.218
  715    H    SER 100           H        SER 100  10.827  12.475  -2.183
  716    HA   SER 100           HA       SER 100   8.021  12.485  -1.555
  717   1HB   SER 100          2HB       SER 100   8.254  10.129  -2.584
  718   2HB   SER 100          1HB       SER 100   8.588  11.512  -3.625
  719    HG   SER 100           HG       SER 100  10.402   9.706  -2.423
  720    H    GLU 101           H        GLU 101   7.025  10.625  -0.442
  721    HA   GLU 101           HA       GLU 101   8.597   9.784   1.902
  722   1HB   GLU 101          2HB       GLU 101   6.532  11.039   2.362
  723   2HB   GLU 101          1HB       GLU 101   5.603   9.889   1.416
  724   1HG   GLU 101          2HG       GLU 101   5.270   9.514   3.770
  725   2HG   GLU 101          1HG       GLU 101   6.109   8.145   3.046
  726    H    ARG 102           H        ARG 102   7.902   7.458   2.695
  727    HA   ARG 102           HA       ARG 102   6.825   5.759   0.635
  728   1HB   ARG 102          2HB       ARG 102   9.324   5.946   0.117
  729   2HB   ARG 102          1HB       ARG 102   9.612   5.090   1.626
  730   1HG   ARG 102          2HG       ARG 102   8.533   3.132   0.828
  731   2HG   ARG 102          1HG       ARG 102   7.888   3.981  -0.575
  732   1HD   ARG 102          2HD       ARG 102  10.349   4.386  -1.201
  733   2HD   ARG 102          1HD       ARG 102  10.711   3.123  -0.027
  734    HE   ARG 102           HE       ARG 102   8.727   2.188  -1.803
  735   1HH1  ARG 102          1HH1      ARG 102  12.144   2.957  -1.737
  736   2HH1  ARG 102          2HH1      ARG 102  12.531   1.930  -3.090
  737   1HH2  ARG 102          1HH2      ARG 102   9.230   0.829  -3.561
  738   2HH2  ARG 102          2HH2      ARG 102  10.873   0.706  -4.118
  739    H    PHE 103           H        PHE 103   5.945   3.989   1.357
  740    HA   PHE 103           HA       PHE 103   5.840   3.581   4.263
  741   1HB   PHE 103          2HB       PHE 103   3.646   3.862   3.679
  742   2HB   PHE 103          1HB       PHE 103   3.921   3.391   2.009
  743    HD1  PHE 103           1HD      PHE 103   2.898   2.339   5.296
  744    HD2  PHE 103           2HD      PHE 103   3.919   1.017   1.391
  745    HE1  PHE 103           1HE      PHE 103   1.841   0.172   5.753
  746    HE2  PHE 103           2HE      PHE 103   2.870  -1.152   1.842
  747    HZ   PHE 103           HZ       PHE 103   1.827  -1.575   4.025
  748    H    THR 104           H        THR 104   5.779   1.310   5.024
  749    HA   THR 104           HA       THR 104   6.581  -0.739   3.198
  750    HB   THR 104           HB       THR 104   8.614   0.202   5.229
  751    HG1  THR 104           1HG      THR 104   8.236   0.897   2.689
  752   1HG2  THR 104          1HG2      THR 104  10.021  -1.609   4.358
  753   2HG2  THR 104          2HG2      THR 104   8.678  -2.156   3.353
  754   3HG2  THR 104          3HG2      THR 104   8.547  -2.221   5.112
  755    H    VAL 105           H        VAL 105   4.975  -2.052   3.989
  756    HA   VAL 105           HA       VAL 105   5.269  -2.819   6.807
  757    HB   VAL 105           HB       VAL 105   2.967  -2.342   6.090
  758   1HG1  VAL 105          1HG1      VAL 105   1.820  -3.829   4.538
  759   2HG1  VAL 105          2HG1      VAL 105   3.342  -4.660   4.212
  760   3HG1  VAL 105          3HG1      VAL 105   3.143  -2.968   3.756
  761   1HG2  VAL 105          1HG2      VAL 105   3.417  -4.004   7.860
  762   2HG2  VAL 105          2HG2      VAL 105   3.391  -5.276   6.642
  763   3HG2  VAL 105          3HG2      VAL 105   1.933  -4.340   6.972
  764    H    TYR 106           H        TYR 106   5.986  -4.746   7.392
  765    HA   TYR 106           HA       TYR 106   6.775  -6.622   5.283
  766   1HB   TYR 106          2HB       TYR 106   7.744  -6.326   8.133
  767   2HB   TYR 106          1HB       TYR 106   8.203  -7.639   7.064
  768    HD1  TYR 106           1HD      TYR 106   9.554  -7.161   5.029
  769    HD2  TYR 106           2HD      TYR 106   8.778  -4.196   7.980
  770    HE1  TYR 106           1HE      TYR 106  11.406  -5.811   4.146
  771    HE2  TYR 106           2HE      TYR 106  10.625  -2.835   7.103
  772    HH   TYR 106           HH       TYR 106  12.090  -3.440   4.103
  773    H    LEU 107           H        LEU 107   5.241  -8.070   4.968
  774    HA   LEU 107           HA       LEU 107   4.011  -9.315   7.327
  775   1HB   LEU 107          2HB       LEU 107   1.851  -9.297   6.269
  776   2HB   LEU 107          1HB       LEU 107   2.474  -7.664   6.310
  777    HG   LEU 107           HG       LEU 107   3.315  -8.486   3.848
  778   1HD1  LEU 107          1HD1      LEU 107   2.083 -10.591   4.028
  779   2HD1  LEU 107          2HD1      LEU 107   1.438  -9.563   2.748
  780   3HD1  LEU 107          3HD1      LEU 107   0.588  -9.692   4.286
  781   1HD2  LEU 107          1HD2      LEU 107   2.268  -6.364   4.391
  782   2HD2  LEU 107          2HD2      LEU 107   0.707  -7.164   4.563
  783   3HD2  LEU 107          3HD2      LEU 107   1.499  -7.104   2.988
  784    H    LYS 108           H        LYS 108   3.536 -11.526   7.083
  785    HA   LYS 108           HA       LYS 108   5.032 -12.736   4.867
  786   1HB   LYS 108          2HB       LYS 108   5.726 -13.241   7.203
  787   2HB   LYS 108          1HB       LYS 108   4.170 -14.012   7.462
  788   1HG   LYS 108          2HG       LYS 108   4.823 -15.880   6.469
  789   2HG   LYS 108          1HG       LYS 108   5.465 -14.989   5.081
  790   1HD   LYS 108          2HD       LYS 108   7.502 -14.491   6.385
  791   2HD   LYS 108          1HD       LYS 108   6.856 -15.436   7.729
  792   1HE   LYS 108          2HE       LYS 108   8.461 -16.732   6.427
  793   2HE   LYS 108          1HE       LYS 108   6.849 -17.434   6.326
  794   1HZ   LYS 108          1HZ       LYS 108   8.066 -17.326   4.179
  795   2HZ   LYS 108          2HZ       LYS 108   7.990 -15.630   4.261
  796   3HZ   LYS 108          3HZ       LYS 108   6.561 -16.543   4.159
  797    H    ALA 109           H        ALA 109   3.908 -13.631   3.259
  798    HA   ALA 109           HA       ALA 109   1.015 -13.908   3.669
  799   1HB   ALA 109          1HB       ALA 109   2.608 -13.521   1.128
  800   2HB   ALA 109          2HB       ALA 109   1.684 -12.280   1.971
  801   3HB   ALA 109          3HB       ALA 109   0.854 -13.638   1.218
  802    H    ASN 110           H        ASN 110  -0.008 -15.793   3.362
  803    HA   ASN 110           HA       ASN 110   0.774 -17.989   1.865
  804   1HB   ASN 110          2HB       ASN 110   1.798 -19.510   3.441
  805   2HB   ASN 110          1HB       ASN 110   2.762 -18.041   3.389
  806   1HD2  ASN 110          1HD2      ASN 110   2.630 -16.582   5.158
  807   2HD2  ASN 110          2HD2      ASN 110   2.125 -17.128   6.715
  Start of MODEL   12
    1    H    HIS   3           H        HIS   3  -6.494  -9.606   4.423
    2    HA   HIS   3           HA       HIS   3  -5.392  -9.052   6.971
    3   1HB   HIS   3          2HB       HIS   3  -3.523 -10.434   6.447
    4   2HB   HIS   3          1HB       HIS   3  -3.565  -9.942   4.752
    5    HD1  HIS   3           1HD      HIS   3  -3.042  -8.114   8.055
    6    HD2  HIS   3           2HD      HIS   3  -1.488  -8.367   4.205
    7    HE1  HIS   3           1HE      HIS   3  -1.214  -6.402   7.958
    8    HE2  HIS   3           2HE      HIS   3  -0.414  -6.433   5.566
    9    H    LYS   4           H        LYS   4  -4.762  -6.838   7.087
   10    HA   LYS   4           HA       LYS   4  -4.884  -5.316   4.593
   11   1HB   LYS   4          2HB       LYS   4  -7.150  -5.271   5.405
   12   2HB   LYS   4          1HB       LYS   4  -6.610  -4.796   7.011
   13   1HG   LYS   4          2HG       LYS   4  -5.701  -2.708   6.011
   14   2HG   LYS   4          1HG       LYS   4  -6.476  -3.163   4.490
   15   1HD   LYS   4          2HD       LYS   4  -8.656  -3.210   5.638
   16   2HD   LYS   4          1HD       LYS   4  -7.864  -2.702   7.132
   17   1HE   LYS   4          2HE       LYS   4  -7.135  -0.635   6.011
   18   2HE   LYS   4          1HE       LYS   4  -7.986  -1.145   4.551
   19   1HZ   LYS   4          1HZ       LYS   4  -9.236  -0.616   7.198
   20   2HZ   LYS   4          2HZ       LYS   4 -10.058  -1.129   5.806
   21   3HZ   LYS   4          3HZ       LYS   4  -9.321   0.394   5.838
   22    H    VAL   5           H        VAL   5  -3.420  -3.729   4.514
   23    HA   VAL   5           HA       VAL   5  -2.161  -2.927   7.033
   24    HB   VAL   5           HB       VAL   5  -1.055  -3.265   4.295
   25   1HG1  VAL   5          1HG1      VAL   5  -0.758  -0.871   4.532
   26   2HG1  VAL   5          2HG1      VAL   5   0.785  -1.712   4.701
   27   3HG1  VAL   5          3HG1      VAL   5  -0.052  -1.104   6.130
   28   1HG2  VAL   5          1HG2      VAL   5  -0.600  -4.779   6.171
   29   2HG2  VAL   5          2HG2      VAL   5   0.121  -3.432   7.060
   30   3HG2  VAL   5          3HG2      VAL   5   0.861  -4.000   5.564
   31    H    THR   6           H        THR   6  -1.501  -0.685   7.215
   32    HA   THR   6           HA       THR   6  -3.243   1.277   6.006
   33    HB   THR   6           HB       THR   6  -3.757   1.992   8.508
   34    HG1  THR   6           1HG      THR   6  -3.490   0.438   9.935
   35   1HG2  THR   6          1HG2      THR   6  -5.254  -0.212   7.075
   36   2HG2  THR   6          2HG2      THR   6  -5.458   1.521   6.813
   37   3HG2  THR   6          3HG2      THR   6  -5.909   0.802   8.360
   38    H    LYS   7           H        LYS   7  -2.697   3.494   7.180
   39    HA   LYS   7           HA       LYS   7  -0.113   4.086   6.468
   40   1HB   LYS   7          2HB       LYS   7  -1.897   5.745   6.793
   41   2HB   LYS   7          1HB       LYS   7  -1.766   5.544   8.533
   42   1HG   LYS   7          2HG       LYS   7  -0.632   7.568   7.593
   43   2HG   LYS   7          1HG       LYS   7   0.386   6.524   8.582
   44   1HD   LYS   7          2HD       LYS   7   1.471   5.629   6.671
   45   2HD   LYS   7          1HD       LYS   7   0.288   6.346   5.573
   46   1HE   LYS   7          2HE       LYS   7   2.501   7.528   5.663
   47   2HE   LYS   7          1HE       LYS   7   1.110   8.546   6.016
   48   1HZ   LYS   7          1HZ       LYS   7   1.609   8.501   8.319
   49   2HZ   LYS   7          2HZ       LYS   7   3.063   8.859   7.513
   50   3HZ   LYS   7          3HZ       LYS   7   2.789   7.298   8.123
   51    H    ALA   8           H        ALA   8  -1.198   3.192   9.769
   52    HA   ALA   8           HA       ALA   8   1.229   3.742  11.087
   53   1HB   ALA   8          1HB       ALA   8  -0.868   3.249  12.262
   54   2HB   ALA   8          2HB       ALA   8   0.456   2.230  12.826
   55   3HB   ALA   8          3HB       ALA   8  -0.761   1.570  11.730
   56    H    HIS   9           H        HIS   9   0.162   0.999   9.231
   57    HA   HIS   9           HA       HIS   9   2.213  -0.814   9.917
   58   1HB   HIS   9          2HB       HIS   9   0.331  -0.603   7.592
   59   2HB   HIS   9          1HB       HIS   9   1.580  -1.838   7.636
   60    HD1  HIS   9           1HD      HIS   9  -1.858  -1.301   8.559
   61    HD2  HIS   9           2HD      HIS   9   1.302  -3.503  10.107
   62    HE1  HIS   9           1HE      HIS   9  -2.903  -3.212   9.773
   63    HE2  HIS   9           2HE      HIS   9  -0.985  -4.270  11.030
   64    H    ASN  10           H        ASN  10   2.392   2.077   8.287
   65    HA   ASN  10           HA       ASN  10   4.287   1.867   6.312
   66   1HB   ASN  10          2HB       ASN  10   3.382   4.029   6.899
   67   2HB   ASN  10          1HB       ASN  10   4.026   3.906   8.534
   68   1HD2  ASN  10          1HD2      ASN  10   4.735   4.652   5.233
   69   2HD2  ASN  10          2HD2      ASN  10   6.323   5.282   5.496
   70    H    GLY  11           H        GLY  11   4.591   1.084   9.638
   71   1HA   GLY  11          2HA       GLY  11   7.383   0.291   9.163
   72   2HA   GLY  11          1HA       GLY  11   7.014   1.253  10.591
   73    H    ALA  12           H        ALA  12   5.520  -1.542   8.956
   74    HA   ALA  12           HA       ALA  12   5.257  -2.774  11.630
   75   1HB   ALA  12          1HB       ALA  12   3.114  -2.211  10.872
   76   2HB   ALA  12          2HB       ALA  12   3.274  -3.945  10.571
   77   3HB   ALA  12          3HB       ALA  12   3.451  -2.793   9.244
   78    H    THR  13           H        THR  13   5.223  -5.075  11.752
   79    HA   THR  13           HA       THR  13   6.091  -6.660   9.474
   80    HB   THR  13           HB       THR  13   7.705  -6.700  12.041
   81    HG1  THR  13           1HG      THR  13   7.866  -5.031   9.938
   82   1HG2  THR  13          1HG2      THR  13   8.149  -8.055   9.376
   83   2HG2  THR  13          2HG2      THR  13   7.613  -8.846  10.858
   84   3HG2  THR  13          3HG2      THR  13   9.227  -8.137  10.771
   85    H    LEU  14           H        LEU  14   4.762  -8.402   9.496
   86    HA   LEU  14           HA       LEU  14   4.115  -9.853  11.866
   87   1HB   LEU  14          2HB       LEU  14   1.718  -9.350  11.910
   88   2HB   LEU  14          1HB       LEU  14   2.706  -7.952  12.280
   89    HG   LEU  14           HG       LEU  14   2.382  -7.376   9.760
   90   1HD1  LEU  14          1HD1      LEU  14  -0.002  -9.141  10.260
   91   2HD1  LEU  14          2HD1      LEU  14   1.346  -9.518   9.191
   92   3HD1  LEU  14          3HD1      LEU  14   0.290  -8.149   8.828
   93   1HD2  LEU  14          1HD2      LEU  14   0.153  -7.116  11.771
   94   2HD2  LEU  14          2HD2      LEU  14   0.349  -6.139  10.316
   95   3HD2  LEU  14          3HD2      LEU  14   1.542  -6.041  11.609
   96    H    THR  15           H        THR  15   2.393 -11.556  11.405
   97    HA   THR  15           HA       THR  15   2.789 -12.530   8.660
   98    HB   THR  15           HB       THR  15   2.009 -14.008  11.178
   99    HG1  THR  15           1HG      THR  15   4.234 -13.506  11.023
  100   1HG2  THR  15          1HG2      THR  15   2.456 -15.124   8.408
  101   2HG2  THR  15          2HG2      THR  15   0.876 -14.902   9.161
  102   3HG2  THR  15          3HG2      THR  15   2.039 -16.038   9.859
  103    H    VAL  16           H        VAL  16   1.078 -13.267   7.421
  104    HA   VAL  16           HA       VAL  16  -1.615 -12.498   8.347
  105    HB   VAL  16           HB       VAL  16  -2.137 -11.593   6.252
  106   1HG1  VAL  16          1HG1      VAL  16  -0.399  -9.931   5.832
  107   2HG1  VAL  16          2HG1      VAL  16   0.742 -10.890   6.774
  108   3HG1  VAL  16          3HG1      VAL  16  -0.664 -10.167   7.558
  109   1HG2  VAL  16          1HG2      VAL  16  -0.751 -11.780   4.257
  110   2HG2  VAL  16          2HG2      VAL  16  -1.284 -13.359   4.837
  111   3HG2  VAL  16          3HG2      VAL  16   0.370 -12.817   5.143
  112    H    ALA  17           H        ALA  17  -3.362 -13.761   7.335
  113    HA   ALA  17           HA       ALA  17  -2.469 -16.295   6.116
  114   1HB   ALA  17          1HB       ALA  17  -3.659 -16.746   8.144
  115   2HB   ALA  17          2HB       ALA  17  -4.758 -17.112   6.811
  116   3HB   ALA  17          3HB       ALA  17  -4.931 -15.605   7.714
  117    H    VAL  18           H        VAL  18  -2.825 -16.367   3.965
  118    HA   VAL  18           HA       VAL  18  -4.547 -14.293   2.826
  119    HB   VAL  18           HB       VAL  18  -3.509 -14.759   0.694
  120   1HG1  VAL  18          1HG1      VAL  18  -1.756 -14.275   3.058
  121   2HG1  VAL  18          2HG1      VAL  18  -2.263 -13.171   1.776
  122   3HG1  VAL  18          3HG1      VAL  18  -1.045 -14.407   1.444
  123   1HG2  VAL  18          1HG2      VAL  18  -3.238 -17.165   0.900
  124   2HG2  VAL  18          2HG2      VAL  18  -1.982 -16.933   2.117
  125   3HG2  VAL  18          3HG2      VAL  18  -1.715 -16.394   0.458
  126    H    GLY  19           H        GLY  19  -5.509 -15.043   0.600
  127   1HA   GLY  19          2HA       GLY  19  -6.412 -17.249  -0.361
  128   2HA   GLY  19          1HA       GLY  19  -7.197 -17.382   1.210
  129    H    GLU  20           H        GLU  20  -8.197 -15.017   1.756
  130    HA   GLU  20           HA       GLU  20 -10.215 -14.541  -0.240
  131   1HB   GLU  20          2HB       GLU  20  -9.617 -12.927   2.252
  132   2HB   GLU  20          1HB       GLU  20 -11.093 -12.879   1.302
  133   1HG   GLU  20          2HG       GLU  20 -11.511 -15.236   1.922
  134   2HG   GLU  20          1HG       GLU  20 -10.085 -15.179   2.959
  135    H    LEU  21           H        LEU  21  -8.081 -12.232   1.407
  136    HA   LEU  21           HA       LEU  21  -6.969 -11.168  -0.974
  137   1HB   LEU  21          2HB       LEU  21  -9.161 -10.241  -1.322
  138   2HB   LEU  21          1HB       LEU  21  -9.233  -9.670   0.332
  139    HG   LEU  21           HG       LEU  21  -7.448  -8.046  -0.156
  140   1HD1  LEU  21          1HD1      LEU  21  -6.344  -9.334  -1.943
  141   2HD1  LEU  21          2HD1      LEU  21  -6.696  -7.673  -2.417
  142   3HD1  LEU  21          3HD1      LEU  21  -7.711  -8.991  -3.006
  143   1HD2  LEU  21          1HD2      LEU  21  -9.781  -7.931  -2.059
  144   2HD2  LEU  21          2HD2      LEU  21  -8.783  -6.566  -1.559
  145   3HD2  LEU  21          3HD2      LEU  21  -9.789  -7.402  -0.377
  146    H    VAL  22           H        VAL  22  -5.054 -10.258  -0.420
  147    HA   VAL  22           HA       VAL  22  -4.820  -9.325   2.360
  148    HB   VAL  22           HB       VAL  22  -2.876 -10.691   0.570
  149   1HG1  VAL  22          1HG1      VAL  22  -1.681  -8.623   0.732
  150   2HG1  VAL  22          2HG1      VAL  22  -0.967  -9.734   1.904
  151   3HG1  VAL  22          3HG1      VAL  22  -2.070  -8.468   2.443
  152   1HG2  VAL  22          1HG2      VAL  22  -2.175 -11.649   2.681
  153   2HG2  VAL  22          2HG2      VAL  22  -3.926 -11.752   2.498
  154   3HG2  VAL  22          3HG2      VAL  22  -3.221 -10.530   3.555
  155    H    GLU  23           H        GLU  23  -4.903  -7.247   2.668
  156    HA   GLU  23           HA       GLU  23  -4.622  -5.501   0.329
  157   1HB   GLU  23          2HB       GLU  23  -6.009  -4.980   2.959
  158   2HB   GLU  23          1HB       GLU  23  -6.011  -3.922   1.555
  159   1HG   GLU  23          2HG       GLU  23  -7.223  -5.626   0.285
  160   2HG   GLU  23          1HG       GLU  23  -7.228  -6.670   1.708
  161    H    ILE  24           H        ILE  24  -3.376  -3.754   0.319
  162    HA   ILE  24           HA       ILE  24  -2.038  -2.913   2.806
  163    HB   ILE  24           HB       ILE  24  -0.879  -2.741   0.011
  164   1HG1  ILE  24          2HG1      ILE  24  -0.923  -5.075   0.848
  165   2HG1  ILE  24          1HG1      ILE  24   0.722  -4.459   0.681
  166   1HG2  ILE  24          1HG2      ILE  24   0.347  -2.100   2.692
  167   2HG2  ILE  24          2HG2      ILE  24  -0.214  -0.924   1.508
  168   3HG2  ILE  24          3HG2      ILE  24   1.147  -1.978   1.124
  169   1HD1  ILE  24          1HD1      ILE  24  -0.839  -4.649   3.257
  170   2HD1  ILE  24          2HD1      ILE  24   0.822  -4.079   3.082
  171   3HD1  ILE  24          3HD1      ILE  24   0.426  -5.759   2.724
  172    H    GLN  25           H        GLN  25  -3.223  -1.091   3.297
  173    HA   GLN  25           HA       GLN  25  -3.929   0.631   1.023
  174   1HB   GLN  25          2HB       GLN  25  -5.948  -0.235   1.844
  175   2HB   GLN  25          1HB       GLN  25  -5.458  -0.046   3.526
  176   1HG   GLN  25          2HG       GLN  25  -5.530   2.443   2.035
  177   2HG   GLN  25          1HG       GLN  25  -7.086   1.621   2.098
  178   1HE2  GLN  25          1HE2      GLN  25  -4.600   3.179   4.001
  179   2HE2  GLN  25          2HE2      GLN  25  -5.535   3.333   5.448
  180    H    LEU  26           H        LEU  26  -3.492   2.732   1.071
  181    HA   LEU  26           HA       LEU  26  -2.347   3.826   3.536
  182   1HB   LEU  26          2HB       LEU  26  -1.578   4.247   0.688
  183   2HB   LEU  26          1HB       LEU  26  -1.399   5.577   1.810
  184    HG   LEU  26           HG       LEU  26   0.698   4.435   1.601
  185   1HD1  LEU  26          1HD1      LEU  26   1.092   3.782   3.956
  186   2HD1  LEU  26          2HD1      LEU  26  -0.648   3.889   4.235
  187   3HD1  LEU  26          3HD1      LEU  26   0.263   5.327   3.770
  188   1HD2  LEU  26          1HD2      LEU  26  -0.731   1.937   2.499
  189   2HD2  LEU  26          2HD2      LEU  26   0.999   2.101   2.195
  190   3HD2  LEU  26          3HD2      LEU  26  -0.149   2.258   0.865
  191    HA   PRO  27           HA       PRO  27  -5.750   6.645   3.311
  192   1HB   PRO  27          2HB       PRO  27  -5.088   8.308   5.235
  193   2HB   PRO  27          1HB       PRO  27  -5.358   6.600   5.625
  194   1HG   PRO  27          2HG       PRO  27  -2.748   8.027   5.135
  195   2HG   PRO  27          1HG       PRO  27  -3.177   6.946   6.478
  196   1HD   PRO  27          2HD       PRO  27  -1.812   6.123   4.276
  197   2HD   PRO  27          1HD       PRO  27  -2.882   5.059   5.207
  198    H    SER  28           H        SER  28  -2.968   7.173   1.873
  199    HA   SER  28           HA       SER  28  -2.115   8.715   0.495
  200   1HB   SER  28          2HB       SER  28  -4.513   9.040  -0.183
  201   2HB   SER  28          1HB       SER  28  -4.607  10.362   0.984
  202    HG   SER  28           HG       SER  28  -2.932  10.170  -1.314
  203    H    ASN  29           H        ASN  29  -3.778  10.607   2.968
  204    HA   ASN  29           HA       ASN  29  -3.113  12.332   4.322
  205   1HB   ASN  29          2HB       ASN  29  -0.267  11.439   4.127
  206   2HB   ASN  29          1HB       ASN  29  -1.093  12.162   5.492
  207   1HD2  ASN  29          1HD2      ASN  29  -0.143   9.304   3.950
  208   2HD2  ASN  29          2HD2      ASN  29  -0.805   8.182   5.089
  209    HA   PRO  30           HA       PRO  30  -1.983  14.236   0.274
  210   1HB   PRO  30          2HB       PRO  30  -3.425  16.501   1.593
  211   2HB   PRO  30          1HB       PRO  30  -3.564  15.883  -0.062
  212   1HG   PRO  30          2HG       PRO  30  -5.440  15.236   1.642
  213   2HG   PRO  30          1HG       PRO  30  -4.722  13.961   0.635
  214   1HD   PRO  30          2HD       PRO  30  -4.124  14.624   3.495
  215   2HD   PRO  30          1HD       PRO  30  -4.454  13.045   2.755
  216    H    THR  31           H        THR  31   0.141  14.489   0.395
  217    HA   THR  31           HA       THR  31   1.377  16.502   2.052
  218    HB   THR  31           HB       THR  31   3.458  15.812   0.893
  219    HG1  THR  31           1HG      THR  31   2.122  13.748  -0.443
  220   1HG2  THR  31          1HG2      THR  31   2.450  14.466   2.808
  221   2HG2  THR  31          2HG2      THR  31   3.608  13.624   1.779
  222   3HG2  THR  31          3HG2      THR  31   1.878  13.338   1.570
  223    H    THR  32           H        THR  32   0.961  15.908  -1.393
  224    HA   THR  32           HA       THR  32   0.267  18.476  -2.187
  225    HB   THR  32           HB       THR  32   2.510  19.183  -1.566
  226    HG1  THR  32           1HG      THR  32   2.798  20.283  -3.368
  227   1HG2  THR  32          1HG2      THR  32   4.523  18.225  -2.561
  228   2HG2  THR  32          2HG2      THR  32   3.543  17.017  -3.393
  229   3HG2  THR  32          3HG2      THR  32   3.635  17.014  -1.632
  230    H    GLY  33           H        GLY  33   2.133  17.973  -4.677
  231   1HA   GLY  33          2HA       GLY  33   0.336  16.488  -6.232
  232   2HA   GLY  33          1HA       GLY  33   2.004  16.823  -6.659
  233    H    PHE  34           H        PHE  34   2.999  15.400  -4.234
  234    HA   PHE  34           HA       PHE  34   3.463  12.877  -5.198
  235   1HB   PHE  34          2HB       PHE  34   3.193  13.401  -2.243
  236   2HB   PHE  34          1HB       PHE  34   4.238  12.244  -3.054
  237    HD1  PHE  34           1HD      PHE  34   4.937  14.335  -0.935
  238    HD2  PHE  34           2HD      PHE  34   5.184  14.338  -5.181
  239    HE1  PHE  34           1HE      PHE  34   6.779  15.956  -0.820
  240    HE2  PHE  34           2HE      PHE  34   7.026  15.960  -5.072
  241    HZ   PHE  34           HZ       PHE  34   7.827  16.770  -2.892
  242    H    ALA  35           H        ALA  35   2.647  10.851  -4.839
  243    HA   ALA  35           HA       ALA  35   0.305  10.476  -3.157
  244   1HB   ALA  35          1HB       ALA  35  -0.963   9.338  -4.911
  245   2HB   ALA  35          2HB       ALA  35   0.325   9.654  -6.072
  246   3HB   ALA  35          3HB       ALA  35  -0.609  10.997  -5.408
  247    H    TRP  36           H        TRP  36  -0.146   8.051  -2.944
  248    HA   TRP  36           HA       TRP  36   2.421   6.734  -2.619
  249   1HB   TRP  36          2HB       TRP  36  -0.343   5.739  -1.887
  250   2HB   TRP  36          1HB       TRP  36   1.178   4.921  -1.534
  251    HD1  TRP  36           HD       TRP  36  -1.065   7.715  -0.247
  252    HE1  TRP  36           1HE      TRP  36  -0.155   8.448   2.035
  253    HE3  TRP  36           3HE      TRP  36   3.396   5.229  -0.316
  254    HZ2  TRP  36           2HZ      TRP  36   2.126   8.012   3.620
  255    HZ3  TRP  36           3HZ      TRP  36   4.908   5.439   1.609
  256    HH2  TRP  36           HH       TRP  36   4.284   6.821   3.545
  257    H    TYR  37           H        TYR  37   3.297   5.471  -4.042
  258    HA   TYR  37           HA       TYR  37   1.794   3.383  -5.295
  259   1HB   TYR  37          2HB       TYR  37   2.783   4.001  -7.605
  260   2HB   TYR  37          1HB       TYR  37   1.340   4.835  -7.063
  261    HD1  TYR  37           1HD      TYR  37   1.536   6.812  -8.336
  262    HD2  TYR  37           2HD      TYR  37   4.806   5.558  -5.937
  263    HE1  TYR  37           1HE      TYR  37   2.594   8.987  -8.636
  264    HE2  TYR  37           2HE      TYR  37   5.854   7.738  -6.228
  265    HH   TYR  37           HH       TYR  37   4.203  10.397  -7.330
  266    H    PHE  38           H        PHE  38   3.177   1.665  -6.068
  267    HA   PHE  38           HA       PHE  38   5.211   1.059  -4.345
  268   1HB   PHE  38          2HB       PHE  38   4.376   0.026  -6.958
  269   2HB   PHE  38          1HB       PHE  38   6.049  -0.313  -6.532
  270    HD1  PHE  38           1HD      PHE  38   2.632  -1.254  -6.085
  271    HD2  PHE  38           2HD      PHE  38   6.486  -1.451  -4.303
  272    HE1  PHE  38           1HE      PHE  38   1.880  -3.130  -4.674
  273    HE2  PHE  38           2HE      PHE  38   5.747  -3.322  -2.893
  274    HZ   PHE  38           HZ       PHE  38   3.410  -4.193  -3.130
  275    H    GLU  39           H        GLU  39   5.974   1.748  -7.759
  276    HA   GLU  39           HA       GLU  39   8.226   3.360  -6.788
  277   1HB   GLU  39          2HB       GLU  39   9.534   2.489  -8.775
  278   2HB   GLU  39          1HB       GLU  39   9.281   1.363  -7.452
  279   1HG   GLU  39          2HG       GLU  39   7.534   0.249  -8.674
  280   2HG   GLU  39          1HG       GLU  39   7.646   1.436  -9.974
  281    H    GLY  40           H        GLY  40   5.446   3.791  -8.002
  282   1HA   GLY  40          2HA       GLY  40   4.866   5.950  -8.828
  283   2HA   GLY  40          1HA       GLY  40   6.393   5.995  -9.700
  284    H    GLY  41           H        GLY  41   3.109   4.909  -9.691
  285   1HA   GLY  41          2HA       GLY  41   1.739   4.587 -11.523
  286   2HA   GLY  41          1HA       GLY  41   3.135   4.766 -12.573
  287    H    THR  42           H        THR  42   4.088   2.618 -10.356
  288    HA   THR  42           HA       THR  42   3.112   0.292 -11.861
  289    HB   THR  42           HB       THR  42   5.551  -0.500 -10.971
  290    HG1  THR  42           1HG      THR  42   6.938   1.287 -11.784
  291   1HG2  THR  42          1HG2      THR  42   4.642  -0.960 -13.180
  292   2HG2  THR  42          2HG2      THR  42   6.274  -0.305 -13.328
  293   3HG2  THR  42          3HG2      THR  42   4.877   0.722 -13.655
  294    H    LYS  43           H        LYS  43   2.686  -1.514 -10.756
  295    HA   LYS  43           HA       LYS  43   3.596  -1.750  -8.016
  296   1HB   LYS  43          2HB       LYS  43   1.435  -2.345  -7.153
  297   2HB   LYS  43          1HB       LYS  43   1.402  -0.720  -7.777
  298   1HG   LYS  43          2HG       LYS  43   0.447  -2.993  -9.473
  299   2HG   LYS  43          1HG       LYS  43  -0.588  -2.345  -8.204
  300   1HD   LYS  43          2HD       LYS  43  -1.292  -0.962  -9.836
  301   2HD   LYS  43          1HD       LYS  43   0.166  -0.059  -9.435
  302   1HE   LYS  43          2HE       LYS  43   0.000  -0.339 -11.833
  303   2HE   LYS  43          1HE       LYS  43   1.376  -1.247 -11.214
  304   1HZ   LYS  43          1HZ       LYS  43   0.144  -2.522 -12.845
  305   2HZ   LYS  43          2HZ       LYS  43  -1.278  -2.389 -11.930
  306   3HZ   LYS  43          3HZ       LYS  43   0.039  -3.270 -11.325
  307    H    GLU  44           H        GLU  44   4.259  -3.755  -7.572
  308    HA   GLU  44           HA       GLU  44   3.031  -5.963  -9.070
  309   1HB   GLU  44          2HB       GLU  44   5.152  -7.148  -9.132
  310   2HB   GLU  44          1HB       GLU  44   5.308  -5.590  -9.925
  311   1HG   GLU  44          2HG       GLU  44   6.122  -6.013  -7.072
  312   2HG   GLU  44          1HG       GLU  44   7.209  -6.340  -8.420
  313    H    SER  45           H        SER  45   3.157  -8.048  -7.927
  314    HA   SER  45           HA       SER  45   3.246  -7.696  -5.002
  315   1HB   SER  45          2HB       SER  45   0.901  -7.833  -5.820
  316   2HB   SER  45          1HB       SER  45   1.262  -9.401  -6.539
  317    HG   SER  45           HG       SER  45   1.321 -10.308  -4.600
  318    HA   PRO  46           HA       PRO  46   6.117 -11.104  -5.138
  319   1HB   PRO  46          2HB       PRO  46   4.968 -11.757  -2.477
  320   2HB   PRO  46          1HB       PRO  46   6.649 -11.458  -2.932
  321   1HG   PRO  46          2HG       PRO  46   5.257  -9.642  -1.559
  322   2HG   PRO  46          1HG       PRO  46   6.407  -9.155  -2.821
  323   1HD   PRO  46          2HD       PRO  46   3.417  -9.290  -2.928
  324   2HD   PRO  46          1HD       PRO  46   4.511  -8.083  -3.611
  325    H    ASN  47           H        ASN  47   5.840 -13.008  -6.067
  326    HA   ASN  47           HA       ASN  47   5.008 -15.031  -6.670
  327   1HB   ASN  47          2HB       ASN  47   3.169 -14.648  -4.319
  328   2HB   ASN  47          1HB       ASN  47   3.193 -16.100  -5.307
  329   1HD2  ASN  47          1HD2      ASN  47   3.822 -15.617  -2.440
  330   2HD2  ASN  47          2HD2      ASN  47   5.411 -16.265  -2.222
  331    H    GLU  48           H        GLU  48   4.266 -12.774  -8.029
  332    HA   GLU  48           HA       GLU  48   1.416 -12.789  -8.464
  333   1HB   GLU  48          2HB       GLU  48   1.785 -10.930  -9.914
  334   2HB   GLU  48          1HB       GLU  48   2.833 -10.723  -8.521
  335   1HG   GLU  48          2HG       GLU  48   3.761 -11.825 -11.157
  336   2HG   GLU  48          1HG       GLU  48   3.858 -10.125 -10.708
  337    H    SER  49           H        SER  49   2.757 -15.262  -9.014
  338    HA   SER  49           HA       SER  49   3.162 -15.642 -11.790
  339   1HB   SER  49          2HB       SER  49   2.274 -17.797  -9.878
  340   2HB   SER  49          1HB       SER  49   3.359 -17.935 -11.263
  341    HG   SER  49           HG       SER  49   4.952 -16.896 -10.120
  342    H    MET  50           H        MET  50   0.521 -16.800  -9.714
  343    HA   MET  50           HA       MET  50  -1.240 -16.854 -12.055
  344   1HB   MET  50          2HB       MET  50  -2.568 -18.500 -10.882
  345   2HB   MET  50          1HB       MET  50  -0.892 -19.001 -10.985
  346   1HG   MET  50          2HG       MET  50  -2.249 -17.838  -8.562
  347   2HG   MET  50          1HG       MET  50  -1.850 -19.533  -8.817
  348   1HE   MET  50          1HE       MET  50  -1.029 -17.812  -6.211
  349   2HE   MET  50          2HE       MET  50   0.616 -18.398  -5.962
  350   3HE   MET  50          3HE       MET  50  -0.663 -19.525  -6.411
  351    H    PHE  51           H        PHE  51  -0.880 -15.755  -8.788
  352    HA   PHE  51           HA       PHE  51  -3.388 -14.248  -8.962
  353   1HB   PHE  51          2HB       PHE  51  -1.811 -15.415  -6.715
  354   2HB   PHE  51          1HB       PHE  51  -2.685 -13.920  -6.390
  355    HD1  PHE  51           1HD      PHE  51  -3.459 -17.021  -8.332
  356    HD2  PHE  51           2HD      PHE  51  -4.649 -14.327  -5.253
  357    HE1  PHE  51           1HE      PHE  51  -5.529 -18.301  -8.017
  358    HE2  PHE  51           2HE      PHE  51  -6.725 -15.613  -4.937
  359    HZ   PHE  51           HZ       PHE  51  -7.166 -17.602  -6.316
  360    H    THR  52           H        THR  52  -3.127 -11.964  -7.776
  361    HA   THR  52           HA       THR  52  -0.641 -10.713  -8.493
  362    HB   THR  52           HB       THR  52  -1.604 -11.228 -10.727
  363    HG1  THR  52           1HG      THR  52  -1.409  -8.970 -11.472
  364   1HG2  THR  52          1HG2      THR  52  -3.751  -9.266  -9.901
  365   2HG2  THR  52          2HG2      THR  52  -3.980 -10.989 -10.198
  366   3HG2  THR  52          3HG2      THR  52  -3.525  -9.920 -11.524
  367    H    VAL  53           H        VAL  53  -0.925  -8.261  -8.629
  368    HA   VAL  53           HA       VAL  53  -2.510  -7.478  -6.284
  369    HB   VAL  53           HB       VAL  53  -0.194  -6.975  -5.991
  370   1HG1  VAL  53          1HG1      VAL  53   1.125  -5.657  -7.568
  371   2HG1  VAL  53          2HG1      VAL  53  -0.259  -5.564  -8.658
  372   3HG1  VAL  53          3HG1      VAL  53   0.503  -7.121  -8.336
  373   1HG2  VAL  53          1HG2      VAL  53  -1.720  -5.209  -5.250
  374   2HG2  VAL  53          2HG2      VAL  53  -1.589  -4.432  -6.828
  375   3HG2  VAL  53          3HG2      VAL  53  -0.176  -4.540  -5.777
  376    H    GLU  54           H        GLU  54  -4.195  -6.224  -6.507
  377    HA   GLU  54           HA       GLU  54  -4.651  -4.830  -9.057
  378   1HB   GLU  54          2HB       GLU  54  -6.727  -5.650  -7.025
  379   2HB   GLU  54          1HB       GLU  54  -6.994  -5.136  -8.686
  380   1HG   GLU  54          2HG       GLU  54  -5.989  -7.152  -9.527
  381   2HG   GLU  54          1HG       GLU  54  -5.548  -7.653  -7.897
  382    H    ASN  55           H        ASN  55  -4.742  -2.644  -8.957
  383    HA   ASN  55           HA       ASN  55  -4.485  -1.500  -6.270
  384   1HB   ASN  55          2HB       ASN  55  -3.388   0.393  -7.311
  385   2HB   ASN  55          1HB       ASN  55  -2.569  -1.108  -7.737
  386   1HD2  ASN  55          1HD2      ASN  55  -2.522   1.454  -9.093
  387   2HD2  ASN  55          2HD2      ASN  55  -3.104   1.174 -10.701
  388    H    LYS  56           H        LYS  56  -5.483   0.452  -5.747
  389    HA   LYS  56           HA       LYS  56  -7.373   1.724  -7.450
  390   1HB   LYS  56          2HB       LYS  56  -9.277   1.172  -5.723
  391   2HB   LYS  56          1HB       LYS  56  -8.944   0.071  -7.051
  392   1HG   LYS  56          2HG       LYS  56  -9.022  -1.434  -5.355
  393   2HG   LYS  56          1HG       LYS  56  -7.317  -0.990  -5.255
  394   1HD   LYS  56          2HD       LYS  56  -7.807  -0.680  -3.087
  395   2HD   LYS  56          1HD       LYS  56  -8.370   0.889  -3.660
  396   1HE   LYS  56          2HE       LYS  56 -10.025  -1.563  -3.162
  397   2HE   LYS  56          1HE       LYS  56 -10.009  -0.098  -2.191
  398   1HZ   LYS  56          1HZ       LYS  56 -10.858   1.116  -4.138
  399   2HZ   LYS  56          2HZ       LYS  56 -11.922  -0.091  -3.608
  400   3HZ   LYS  56          3HZ       LYS  56 -10.975  -0.352  -4.985
  401    H    TYR  57           H        TYR  57  -7.100   3.792  -6.885
  402    HA   TYR  57           HA       TYR  57  -6.542   4.334  -4.054
  403   1HB   TYR  57          2HB       TYR  57  -5.493   6.197  -6.072
  404   2HB   TYR  57          1HB       TYR  57  -4.861   5.767  -4.496
  405    HD1  TYR  57           1HD      TYR  57  -4.514   5.308  -8.013
  406    HD2  TYR  57           2HD      TYR  57  -3.790   3.447  -4.258
  407    HE1  TYR  57           1HE      TYR  57  -2.876   3.818  -9.072
  408    HE2  TYR  57           2HE      TYR  57  -2.143   1.958  -5.308
  409    HH   TYR  57           HH       TYR  57  -1.691   1.045  -7.618
  410    H    PHE  58           H        PHE  58  -7.226   6.372  -3.271
  411    HA   PHE  58           HA       PHE  58  -8.986   7.903  -4.994
  412   1HB   PHE  58          2HB       PHE  58 -10.066   5.968  -3.450
  413   2HB   PHE  58          1HB       PHE  58 -10.070   7.306  -2.299
  414    HD1  PHE  58           1HD      PHE  58 -11.901   8.584  -2.226
  415    HD2  PHE  58           2HD      PHE  58 -10.898   6.686  -5.895
  416    HE1  PHE  58           1HE      PHE  58 -13.950   9.506  -3.257
  417    HE2  PHE  58           2HE      PHE  58 -12.941   7.593  -6.937
  418    HZ   PHE  58           HZ       PHE  58 -14.435   8.939  -5.735
  419    HA   PRO  59           HA       PRO  59  -6.710  10.949  -2.437
  420   1HB   PRO  59          2HB       PRO  59  -7.524  12.596  -4.764
  421   2HB   PRO  59          1HB       PRO  59  -5.933  12.423  -4.015
  422   1HG   PRO  59          2HG       PRO  59  -6.420  11.327  -6.385
  423   2HG   PRO  59          1HG       PRO  59  -5.455  10.458  -5.168
  424   1HD   PRO  59          2HD       PRO  59  -8.358  10.103  -5.882
  425   2HD   PRO  59          1HD       PRO  59  -7.102   8.867  -5.639
  426    HA   PRO  60           HA       PRO  60  -9.989  12.692  -0.166
  427   1HB   PRO  60          2HB       PRO  60  -8.790  15.253  -1.178
  428   2HB   PRO  60          1HB       PRO  60  -9.481  14.908   0.416
  429   1HG   PRO  60          2HG       PRO  60  -6.894  14.696   0.183
  430   2HG   PRO  60          1HG       PRO  60  -7.802  13.367   0.944
  431   1HD   PRO  60          2HD       PRO  60  -6.589  13.490  -1.784
  432   2HD   PRO  60          1HD       PRO  60  -6.725  12.117  -0.663
  433    H    ASP  61           H        ASP  61 -11.836  12.321  -0.928
  434    HA   ASP  61           HA       ASP  61 -12.867  13.521  -3.347
  435   1HB   ASP  61          2HB       ASP  61 -14.978  12.300  -2.598
  436   2HB   ASP  61          1HB       ASP  61 -13.597  11.288  -3.036
  437    H    SER  62           H        SER  62 -14.470  13.184  -0.245
  438    HA   SER  62           HA       SER  62 -14.792  15.836   0.395
  439   1HB   SER  62          2HB       SER  62 -16.027  16.009  -1.737
  440   2HB   SER  62          1HB       SER  62 -17.136  14.758  -1.176
  441    HG   SER  62           HG       SER  62 -16.730  17.328  -0.016
  442    H    LYS  63           H        LYS  63 -16.234  12.611   0.342
  443    HA   LYS  63           HA       LYS  63 -17.323  13.154   3.020
  444   1HB   LYS  63          2HB       LYS  63 -19.188  11.486   2.276
  445   2HB   LYS  63          1HB       LYS  63 -19.275  13.182   1.830
  446   1HG   LYS  63          2HG       LYS  63 -19.885  11.900  -0.072
  447   2HG   LYS  63          1HG       LYS  63 -18.290  12.584  -0.382
  448   1HD   LYS  63          2HD       LYS  63 -18.381  10.272  -1.121
  449   2HD   LYS  63          1HD       LYS  63 -17.265  10.440   0.245
  450   1HE   LYS  63          2HE       LYS  63 -18.650   8.446   0.489
  451   2HE   LYS  63          1HE       LYS  63 -19.008   9.616   1.756
  452   1HZ   LYS  63          1HZ       LYS  63 -21.046   8.725   0.938
  453   2HZ   LYS  63          2HZ       LYS  63 -20.633   9.060  -0.670
  454   3HZ   LYS  63          3HZ       LYS  63 -20.948  10.332   0.407
  455    H    LEU  64           H        LEU  64 -15.765  10.812   0.935
  456    HA   LEU  64           HA       LEU  64 -16.015   8.540   2.592
  457   1HB   LEU  64          2HB       LEU  64 -15.108   8.769   0.173
  458   2HB   LEU  64          1HB       LEU  64 -13.573   9.156   0.924
  459    HG   LEU  64           HG       LEU  64 -15.102   6.574   1.349
  460   1HD1  LEU  64          1HD1      LEU  64 -13.422   5.553  -0.104
  461   2HD1  LEU  64          2HD1      LEU  64 -12.732   7.145  -0.423
  462   3HD1  LEU  64          3HD1      LEU  64 -14.370   6.771  -0.956
  463   1HD2  LEU  64          1HD2      LEU  64 -13.625   7.111   3.210
  464   2HD2  LEU  64          2HD2      LEU  64 -12.280   7.338   2.094
  465   3HD2  LEU  64          3HD2      LEU  64 -13.002   5.741   2.290
  466    H    LEU  65           H        LEU  65 -13.339  10.883   2.285
  467    HA   LEU  65           HA       LEU  65 -13.531  11.270   5.078
  468   1HB   LEU  65          2HB       LEU  65 -11.249  10.889   5.746
  469   2HB   LEU  65          1HB       LEU  65 -11.982   9.417   5.164
  470    HG   LEU  65           HG       LEU  65  -9.985  11.095   3.592
  471   1HD1  LEU  65          1HD1      LEU  65  -8.436   9.303   4.098
  472   2HD1  LEU  65          2HD1      LEU  65  -9.660   8.484   5.071
  473   3HD1  LEU  65          3HD1      LEU  65  -9.025  10.047   5.585
  474   1HD2  LEU  65          1HD2      LEU  65 -11.634   9.792   2.253
  475   2HD2  LEU  65          2HD2      LEU  65 -11.076   8.330   3.065
  476   3HD2  LEU  65          3HD2      LEU  65  -9.965   9.256   2.053
  477    H    GLY  66           H        GLY  66 -11.495  11.959   2.314
  478   1HA   GLY  66          2HA       GLY  66 -10.981  14.011   1.359
  479   2HA   GLY  66          1HA       GLY  66 -12.054  14.772   2.524
  480    H    ALA  67           H        ALA  67 -10.798  13.745   4.849
  481    HA   ALA  67           HA       ALA  67  -8.895  15.624   5.495
  482   1HB   ALA  67          1HB       ALA  67  -9.191  12.826   6.590
  483   2HB   ALA  67          2HB       ALA  67 -10.066  14.260   7.140
  484   3HB   ALA  67          3HB       ALA  67  -8.322  14.150   7.372
  485    H    GLY  68           H        GLY  68  -8.286  12.216   4.705
  486   1HA   GLY  68          2HA       GLY  68  -5.540  12.981   3.971
  487   2HA   GLY  68          1HA       GLY  68  -5.968  11.436   4.691
  488    H    GLY  69           H        GLY  69  -8.126  10.672   3.226
  489   1HA   GLY  69          2HA       GLY  69  -8.658  10.339   0.846
  490   2HA   GLY  69          1HA       GLY  69  -6.925  10.412   0.549
  491    H    THR  70           H        THR  70  -7.367   8.289  -0.483
  492    HA   THR  70           HA       THR  70  -6.947   6.120   1.334
  493    HB   THR  70           HB       THR  70  -9.131   5.048   0.123
  494    HG1  THR  70           1HG      THR  70  -9.447   7.538  -0.377
  495   1HG2  THR  70          1HG2      THR  70  -9.100   6.556   2.741
  496   2HG2  THR  70          2HG2      THR  70  -8.445   4.935   2.495
  497   3HG2  THR  70          3HG2      THR  70 -10.178   5.222   2.306
  498    H    GLU  71           H        GLU  71  -5.137   5.875  -0.003
  499    HA   GLU  71           HA       GLU  71  -5.670   4.888  -2.722
  500   1HB   GLU  71          2HB       GLU  71  -3.042   5.736  -1.476
  501   2HB   GLU  71          1HB       GLU  71  -3.300   5.292  -3.161
  502   1HG   GLU  71          2HG       GLU  71  -4.843   7.213  -3.394
  503   2HG   GLU  71          1HG       GLU  71  -4.456   7.675  -1.735
  504    H    HIS  72           H        HIS  72  -5.853   2.713  -2.821
  505    HA   HIS  72           HA       HIS  72  -4.491   1.183  -0.694
  506   1HB   HIS  72          2HB       HIS  72  -6.865   0.222  -2.254
  507   2HB   HIS  72          1HB       HIS  72  -6.180  -0.471  -0.803
  508    HD1  HIS  72           1HD      HIS  72  -8.357  -0.440   0.457
  509    HD2  HIS  72           2HD      HIS  72  -7.198   3.307  -0.869
  510    HE1  HIS  72           1HE      HIS  72  -9.912   1.157   1.542
  511    HE2  HIS  72           2HE      HIS  72  -9.427   3.364   0.449
  512    H    PHE  73           H        PHE  73  -3.452  -0.651  -1.142
  513    HA   PHE  73           HA       PHE  73  -3.239  -1.520  -3.945
  514   1HB   PHE  73          2HB       PHE  73  -1.256  -1.543  -1.670
  515   2HB   PHE  73          1HB       PHE  73  -1.031  -2.543  -3.099
  516    HD1  PHE  73           1HD      PHE  73   0.128  -1.678  -4.885
  517    HD2  PHE  73           2HD      PHE  73  -1.661   0.996  -2.102
  518    HE1  PHE  73           1HE      PHE  73   1.158   0.230  -6.059
  519    HE2  PHE  73           2HE      PHE  73  -0.630   2.905  -3.261
  520    HZ   PHE  73           HZ       PHE  73   0.803   2.549  -5.182
  521    H    HIS  74           H        HIS  74  -4.494  -3.265  -4.194
  522    HA   HIS  74           HA       HIS  74  -4.904  -5.052  -1.886
  523   1HB   HIS  74          2HB       HIS  74  -6.519  -4.399  -4.336
  524   2HB   HIS  74          1HB       HIS  74  -6.783  -5.911  -3.490
  525    HD1  HIS  74           1HD      HIS  74  -9.211  -5.024  -3.111
  526    HD2  HIS  74           2HD      HIS  74  -6.238  -2.858  -1.141
  527    HE1  HIS  74           1HE      HIS  74 -10.398  -3.679  -1.358
  528    HE2  HIS  74           2HE      HIS  74  -8.547  -2.698   0.029
  529    H    VAL  75           H        VAL  75  -3.467  -6.712  -1.947
  530    HA   VAL  75           HA       VAL  75  -2.864  -7.781  -4.605
  531    HB   VAL  75           HB       VAL  75  -0.792  -8.585  -3.876
  532   1HG1  VAL  75          1HG1      VAL  75   0.344  -6.685  -2.861
  533   2HG1  VAL  75          2HG1      VAL  75  -1.214  -6.000  -2.394
  534   3HG1  VAL  75          3HG1      VAL  75  -0.803  -6.171  -4.101
  535   1HG2  VAL  75          1HG2      VAL  75  -0.028  -8.679  -1.563
  536   2HG2  VAL  75          2HG2      VAL  75  -1.464  -9.682  -1.827
  537   3HG2  VAL  75          3HG2      VAL  75  -1.619  -8.117  -1.021
  538    H    THR  76           H        THR  76  -3.847  -9.509  -5.174
  539    HA   THR  76           HA       THR  76  -4.993 -11.250  -3.113
  540    HB   THR  76           HB       THR  76  -5.606 -11.259  -6.087
  541    HG1  THR  76           1HG      THR  76  -6.656  -9.460  -5.664
  542   1HG2  THR  76          1HG2      THR  76  -6.183 -13.318  -4.902
  543   2HG2  THR  76          2HG2      THR  76  -7.639 -12.447  -5.392
  544   3HG2  THR  76          3HG2      THR  76  -7.096 -12.388  -3.713
  545    H    VAL  77           H        VAL  77  -3.507 -12.707  -2.592
  546    HA   VAL  77           HA       VAL  77  -2.396 -14.392  -4.683
  547    HB   VAL  77           HB       VAL  77  -0.641 -12.766  -4.459
  548   1HG1  VAL  77          1HG1      VAL  77  -0.757 -13.247  -1.483
  549   2HG1  VAL  77          2HG1      VAL  77  -1.298 -11.791  -2.320
  550   3HG1  VAL  77          3HG1      VAL  77   0.412 -12.225  -2.318
  551   1HG2  VAL  77          1HG2      VAL  77   0.058 -15.126  -4.591
  552   2HG2  VAL  77          2HG2      VAL  77   0.124 -15.188  -2.827
  553   3HG2  VAL  77          3HG2      VAL  77   1.221 -14.129  -3.716
  554    H    LYS  78           H        LYS  78  -2.190 -16.488  -4.045
  555    HA   LYS  78           HA       LYS  78  -2.199 -17.010  -1.176
  556   1HB   LYS  78          2HB       LYS  78  -3.363 -19.274  -2.000
  557   2HB   LYS  78          1HB       LYS  78  -4.267 -17.856  -1.495
  558   1HG   LYS  78          2HG       LYS  78  -5.308 -18.566  -3.454
  559   2HG   LYS  78          1HG       LYS  78  -4.309 -17.204  -3.954
  560   1HD   LYS  78          2HD       LYS  78  -4.098 -18.962  -5.579
  561   2HD   LYS  78          1HD       LYS  78  -2.577 -18.820  -4.701
  562   1HE   LYS  78          2HE       LYS  78  -3.152 -20.735  -3.333
  563   2HE   LYS  78          1HE       LYS  78  -4.730 -20.849  -4.111
  564   1HZ   LYS  78          1HZ       LYS  78  -3.243 -22.458  -5.061
  565   2HZ   LYS  78          2HZ       LYS  78  -2.093 -21.267  -5.409
  566   3HZ   LYS  78          3HZ       LYS  78  -3.576 -21.268  -6.222
  567    H    ALA  79           H        ALA  79  -0.191 -17.496  -0.812
  568    HA   ALA  79           HA       ALA  79   1.009 -19.854  -1.848
  569   1HB   ALA  79          1HB       ALA  79   2.221 -17.208  -2.656
  570   2HB   ALA  79          2HB       ALA  79   1.464 -18.370  -3.746
  571   3HB   ALA  79          3HB       ALA  79   2.954 -18.794  -2.903
  572    H    ALA  80           H        ALA  80   3.295 -20.057  -0.876
  573    HA   ALA  80           HA       ALA  80   3.163 -18.848   1.801
  574   1HB   ALA  80          1HB       ALA  80   4.766 -21.217   0.840
  575   2HB   ALA  80          2HB       ALA  80   3.246 -21.287   1.731
  576   3HB   ALA  80          3HB       ALA  80   4.688 -20.622   2.498
  577    H    GLY  81           H        GLY  81   4.021 -16.849   1.368
  578   1HA   GLY  81          2HA       GLY  81   6.921 -16.754   1.068
  579   2HA   GLY  81          1HA       GLY  81   5.989 -15.953  -0.193
  580    H    THR  82           H        THR  82   7.712 -14.452   1.335
  581    HA   THR  82           HA       THR  82   5.934 -13.132   3.264
  582    HB   THR  82           HB       THR  82   8.855 -12.485   2.851
  583    HG1  THR  82           1HG      THR  82   8.420 -14.784   3.419
  584   1HG2  THR  82          1HG2      THR  82   7.555 -10.861   4.119
  585   2HG2  THR  82          2HG2      THR  82   8.660 -11.721   5.193
  586   3HG2  THR  82          3HG2      THR  82   6.944 -12.142   5.168
  587    H    HIS  83           H        HIS  83   5.221 -11.102   2.966
  588    HA   HIS  83           HA       HIS  83   5.599 -10.006   0.264
  589   1HB   HIS  83          2HB       HIS  83   3.278 -10.767   1.146
  590   2HB   HIS  83          1HB       HIS  83   3.350  -9.350   2.175
  591    HD1  HIS  83           1HD      HIS  83   4.030  -7.068   0.547
  592    HD2  HIS  83           2HD      HIS  83   1.823 -10.204  -1.048
  593    HE1  HIS  83           1HE      HIS  83   2.801  -6.082  -1.414
  594    HE2  HIS  83           2HE      HIS  83   1.565  -8.041  -2.442
  595    H    ALA  84           H        ALA  84   7.200  -8.497   0.390
  596    HA   ALA  84           HA       ALA  84   7.185  -6.647   2.674
  597   1HB   ALA  84          1HB       ALA  84   9.449  -6.031   1.952
  598   2HB   ALA  84          2HB       ALA  84   9.307  -7.128   0.578
  599   3HB   ALA  84          3HB       ALA  84   9.308  -7.768   2.222
  600    H    VAL  85           H        VAL  85   6.090  -4.834   2.377
  601    HA   VAL  85           HA       VAL  85   5.580  -3.987  -0.397
  602    HB   VAL  85           HB       VAL  85   3.963  -2.923   1.844
  603   1HG1  VAL  85          1HG1      VAL  85   2.174  -3.092   0.199
  604   2HG1  VAL  85          2HG1      VAL  85   3.279  -3.888  -0.922
  605   3HG1  VAL  85          3HG1      VAL  85   3.562  -2.213  -0.445
  606   1HG2  VAL  85          1HG2      VAL  85   4.119  -5.241   2.487
  607   2HG2  VAL  85          2HG2      VAL  85   3.694  -5.748   0.847
  608   3HG2  VAL  85          3HG2      VAL  85   2.506  -4.904   1.842
  609    H    ASN  86           H        ASN  86   7.072  -2.494  -0.884
  610    HA   ASN  86           HA       ASN  86   7.334  -0.171   0.920
  611   1HB   ASN  86          2HB       ASN  86   9.120  -1.138  -1.335
  612   2HB   ASN  86          1HB       ASN  86   9.316   0.415  -0.540
  613   1HD2  ASN  86          1HD2      ASN  86   8.425  -2.572   1.090
  614   2HD2  ASN  86          2HD2      ASN  86   9.895  -2.723   1.993
  615    H    LEU  87           H        LEU  87   5.759   1.188   0.405
  616    HA   LEU  87           HA       LEU  87   5.177   1.664  -2.437
  617   1HB   LEU  87          2HB       LEU  87   3.559   2.346   0.023
  618   2HB   LEU  87          1HB       LEU  87   3.087   2.698  -1.630
  619    HG   LEU  87           HG       LEU  87   3.488  -0.086  -0.514
  620   1HD1  LEU  87          1HD1      LEU  87   1.556   1.005   0.490
  621   2HD1  LEU  87          2HD1      LEU  87   1.055  -0.256  -0.637
  622   3HD1  LEU  87          3HD1      LEU  87   0.956   1.441  -1.111
  623   1HD2  LEU  87          1HD2      LEU  87   2.339   0.859  -3.130
  624   2HD2  LEU  87          2HD2      LEU  87   2.488  -0.813  -2.588
  625   3HD2  LEU  87          3HD2      LEU  87   3.937   0.142  -2.909
  626    H    THR  88           H        THR  88   5.630   3.633  -3.317
  627    HA   THR  88           HA       THR  88   7.117   5.407  -1.526
  628    HB   THR  88           HB       THR  88   7.289   5.314  -4.543
  629    HG1  THR  88           1HG      THR  88   8.111   3.386  -4.110
  630   1HG2  THR  88          1HG2      THR  88   9.473   6.360  -4.162
  631   2HG2  THR  88          2HG2      THR  88   9.193   6.336  -2.421
  632   3HG2  THR  88          3HG2      THR  88   8.184   7.340  -3.465
  633    H    TYR  89           H        TYR  89   6.709   7.505  -1.384
  634    HA   TYR  89           HA       TYR  89   4.131   8.405  -2.460
  635   1HB   TYR  89          2HB       TYR  89   4.696   8.206   0.073
  636   2HB   TYR  89          1HB       TYR  89   5.665   9.651  -0.180
  637    HD1  TYR  89           1HD      TYR  89   3.187  10.185  -2.404
  638    HD2  TYR  89           2HD      TYR  89   3.710   9.907   1.796
  639    HE1  TYR  89           1HE      TYR  89   1.189  11.576  -2.066
  640    HE2  TYR  89           2HE      TYR  89   1.724  11.295   2.144
  641    HH   TYR  89           HH       TYR  89   0.449  13.043   0.824
  642    H    MET  90           H        MET  90   4.801   9.247  -4.467
  643    HA   MET  90           HA       MET  90   6.652  11.557  -4.327
  644   1HB   MET  90          2HB       MET  90   6.725   9.987  -6.840
  645   2HB   MET  90          1HB       MET  90   8.000  10.888  -6.047
  646   1HG   MET  90          2HG       MET  90   8.384   9.082  -4.506
  647   2HG   MET  90          1HG       MET  90   7.023   8.185  -5.175
  648   1HE   MET  90          1HE       MET  90   8.314   7.265  -8.771
  649   2HE   MET  90          2HE       MET  90   7.218   8.555  -8.264
  650   3HE   MET  90          3HE       MET  90   7.067   6.938  -7.564
  651    H    ARG  91           H        ARG  91   6.525  12.839  -6.410
  652    HA   ARG  91           HA       ARG  91   3.787  13.145  -7.296
  653   1HB   ARG  91          2HB       ARG  91   6.322  14.631  -7.493
  654   2HB   ARG  91          1HB       ARG  91   5.401  14.647  -8.986
  655   1HG   ARG  91          2HG       ARG  91   3.546  15.695  -7.921
  656   2HG   ARG  91          1HG       ARG  91   4.263  15.475  -6.323
  657   1HD   ARG  91          2HD       ARG  91   6.114  16.952  -6.965
  658   2HD   ARG  91          1HD       ARG  91   5.388  17.170  -8.553
  659    HE   ARG  91           HE       ARG  91   3.415  18.002  -6.948
  660   1HH1  ARG  91          1HH1      ARG  91   6.837  18.750  -6.997
  661   2HH1  ARG  91          2HH1      ARG  91   6.618  20.355  -6.377
  662   1HH2  ARG  91          1HH2      ARG  91   3.130  20.111  -6.132
  663   2HH2  ARG  91          2HH2      ARG  91   4.519  21.128  -5.869
  664    HA   PRO  92           HA       PRO  92   4.161   9.752 -10.075
  665   1HB   PRO  92          2HB       PRO  92   2.019  10.776 -11.681
  666   2HB   PRO  92          1HB       PRO  92   1.970   9.464 -10.508
  667   1HG   PRO  92          2HG       PRO  92   1.087  12.235 -10.233
  668   2HG   PRO  92          1HG       PRO  92   0.697  10.828  -9.233
  669   1HD   PRO  92          2HD       PRO  92   2.306  12.902  -8.435
  670   2HD   PRO  92          1HD       PRO  92   2.396  11.264  -7.765
  671    H    TRP  93           H        TRP  93   3.877  13.045 -11.345
  672    HA   TRP  93           HA       TRP  93   4.826  12.210 -13.940
  673   1HB   TRP  93          2HB       TRP  93   4.658  14.657 -14.494
  674   2HB   TRP  93          1HB       TRP  93   3.152  13.907 -13.973
  675    HD1  TRP  93           HD       TRP  93   5.642  16.606 -13.011
  676    HE1  TRP  93           1HE      TRP  93   4.701  17.956 -11.028
  677    HE3  TRP  93           3HE      TRP  93   1.637  13.652 -11.859
  678    HZ2  TRP  93           2HZ      TRP  93   2.538  17.783  -9.220
  679    HZ3  TRP  93           3HZ      TRP  93   0.185  14.309  -9.990
  680    HH2  TRP  93           HH       TRP  93   0.626  16.334  -8.700
  681    H    THR  94           H        THR  94   6.369  12.671 -11.119
  682    HA   THR  94           HA       THR  94   8.901  12.684 -12.346
  683    HB   THR  94           HB       THR  94   8.703  15.016 -12.693
  684    HG1  THR  94           1HG      THR  94  10.507  15.661 -11.668
  685   1HG2  THR  94          1HG2      THR  94   6.830  15.483 -11.177
  686   2HG2  THR  94          2HG2      THR  94   8.143  16.639 -10.958
  687   3HG2  THR  94          3HG2      THR  94   7.914  15.335  -9.794
  688    H    GLY  95           H        GLY  95   7.849  14.064  -9.193
  689   1HA   GLY  95          2HA       GLY  95   8.149  13.191  -7.037
  690   2HA   GLY  95          1HA       GLY  95   8.785  11.713  -7.784
  691    HA   PRO  96           HA       PRO  96  12.125  15.222  -7.234
  692   1HB   PRO  96          2HB       PRO  96  11.586  15.927  -4.451
  693   2HB   PRO  96          1HB       PRO  96  11.699  16.972  -5.856
  694   1HG   PRO  96          2HG       PRO  96   9.368  16.528  -4.608
  695   2HG   PRO  96          1HG       PRO  96   9.462  16.775  -6.364
  696   1HD   PRO  96          2HD       PRO  96   9.249  14.208  -4.822
  697   2HD   PRO  96          1HD       PRO  96   8.365  14.724  -6.276
  698    H    SER  97           H        SER  97  12.099  12.407  -6.627
  699    HA   SER  97           HA       SER  97  13.261  10.750  -5.595
  700   1HB   SER  97          2HB       SER  97  14.926  12.005  -7.042
  701   2HB   SER  97          1HB       SER  97  15.514  12.758  -5.560
  702    HG   SER  97           HG       SER  97  16.010  10.660  -4.770
  703    H    HIS  98           H        HIS  98  15.064  13.301  -3.956
  704    HA   HIS  98           HA       HIS  98  15.061  11.916  -1.479
  705   1HB   HIS  98          2HB       HIS  98  15.683  14.843  -1.935
  706   2HB   HIS  98          1HB       HIS  98  16.196  13.855  -0.578
  707    HD1  HIS  98           1HD      HIS  98  17.993  11.923  -1.193
  708    HD2  HIS  98           2HD      HIS  98  17.415  14.916  -4.025
  709    HE1  HIS  98           1HE      HIS  98  20.007  11.840  -2.695
  710    HE2  HIS  98           2HE      HIS  98  19.725  13.788  -4.268
  711    H    ASP  99           H        ASP  99  12.806  14.043  -2.969
  712    HA   ASP  99           HA       ASP  99  11.833  15.078  -0.415
  713   1HB   ASP  99          2HB       ASP  99  12.226  16.525  -2.473
  714   2HB   ASP  99          1HB       ASP  99  10.808  15.759  -3.186
  715    H    SER 100           H        SER 100  11.440  12.354  -2.034
  716    HA   SER 100           HA       SER 100   8.544  12.135  -1.781
  717   1HB   SER 100          2HB       SER 100  10.496  10.041  -2.751
  718   2HB   SER 100          1HB       SER 100   8.756  10.106  -3.033
  719    HG   SER 100           HG       SER 100  10.750  11.242  -4.442
  720    H    GLU 101           H        GLU 101   7.540  10.725  -0.373
  721    HA   GLU 101           HA       GLU 101   9.205   9.644   1.794
  722   1HB   GLU 101          2HB       GLU 101   7.265  11.152   2.341
  723   2HB   GLU 101          1HB       GLU 101   6.189   9.930   1.682
  724   1HG   GLU 101          2HG       GLU 101   6.389   9.951   4.175
  725   2HG   GLU 101          1HG       GLU 101   6.723   8.399   3.410
  726    H    ARG 102           H        ARG 102   8.042   7.445   2.694
  727    HA   ARG 102           HA       ARG 102   6.968   5.780   0.609
  728   1HB   ARG 102          2HB       ARG 102   9.512   5.924   0.195
  729   2HB   ARG 102          1HB       ARG 102   9.698   5.002   1.677
  730   1HG   ARG 102          2HG       ARG 102   8.542   3.131   0.729
  731   2HG   ARG 102          1HG       ARG 102   8.121   4.060  -0.708
  732   1HD   ARG 102          2HD       ARG 102  10.619   4.343  -1.074
  733   2HD   ARG 102          1HD       ARG 102  10.836   3.111   0.166
  734    HE   ARG 102           HE       ARG 102   9.050   2.196  -1.843
  735   1HH1  ARG 102          1HH1      ARG 102  12.457   2.859  -1.326
  736   2HH1  ARG 102          2HH1      ARG 102  12.990   1.656  -2.460
  737   1HH2  ARG 102          1HH2      ARG 102   9.758   0.612  -3.345
  738   2HH2  ARG 102          2HH2      ARG 102  11.462   0.362  -3.584
  739    H    PHE 103           H        PHE 103   6.096   3.953   1.342
  740    HA   PHE 103           HA       PHE 103   5.904   3.622   4.252
  741   1HB   PHE 103          2HB       PHE 103   3.719   3.864   3.602
  742   2HB   PHE 103          1HB       PHE 103   4.055   3.368   1.950
  743    HD1  PHE 103           1HD      PHE 103   2.957   2.345   5.227
  744    HD2  PHE 103           2HD      PHE 103   4.109   0.992   1.368
  745    HE1  PHE 103           1HE      PHE 103   1.958   0.153   5.697
  746    HE2  PHE 103           2HE      PHE 103   3.115  -1.201   1.832
  747    HZ   PHE 103           HZ       PHE 103   2.040  -1.618   4.000
  748    H    THR 104           H        THR 104   5.863   1.363   5.078
  749    HA   THR 104           HA       THR 104   6.761  -0.700   3.289
  750    HB   THR 104           HB       THR 104   8.626   0.310   5.447
  751    HG1  THR 104           1HG      THR 104   8.412   0.886   2.842
  752   1HG2  THR 104          1HG2      THR 104  10.116  -1.505   4.741
  753   2HG2  THR 104          2HG2      THR 104   8.874  -2.093   3.635
  754   3HG2  THR 104          3HG2      THR 104   8.591  -2.128   5.376
  755    H    VAL 105           H        VAL 105   5.089  -2.030   3.998
  756    HA   VAL 105           HA       VAL 105   5.397  -2.851   6.807
  757    HB   VAL 105           HB       VAL 105   3.081  -2.255   6.122
  758   1HG1  VAL 105          1HG1      VAL 105   1.841  -3.784   4.675
  759   2HG1  VAL 105          2HG1      VAL 105   3.325  -4.682   4.353
  760   3HG1  VAL 105          3HG1      VAL 105   3.171  -3.011   3.809
  761   1HG2  VAL 105          1HG2      VAL 105   3.414  -5.175   6.797
  762   2HG2  VAL 105          2HG2      VAL 105   2.024  -4.150   7.165
  763   3HG2  VAL 105          3HG2      VAL 105   3.574  -3.855   7.952
  764    H    TYR 106           H        TYR 106   6.112  -4.793   7.304
  765    HA   TYR 106           HA       TYR 106   6.698  -6.665   5.115
  766   1HB   TYR 106          2HB       TYR 106   7.780  -6.547   7.928
  767   2HB   TYR 106          1HB       TYR 106   8.220  -7.760   6.738
  768    HD1  TYR 106           1HD      TYR 106   9.492  -7.041   4.696
  769    HD2  TYR 106           2HD      TYR 106   8.857  -4.450   8.010
  770    HE1  TYR 106           1HE      TYR 106  11.309  -5.591   3.900
  771    HE2  TYR 106           2HE      TYR 106  10.674  -2.993   7.225
  772    HH   TYR 106           HH       TYR 106  12.670  -3.123   5.821
  773    H    LEU 107           H        LEU 107   4.901  -7.877   4.899
  774    HA   LEU 107           HA       LEU 107   4.065  -9.307   7.314
  775   1HB   LEU 107          2HB       LEU 107   1.754  -9.312   6.634
  776   2HB   LEU 107          1HB       LEU 107   2.331  -7.675   6.771
  777    HG   LEU 107           HG       LEU 107   0.825  -7.787   4.938
  778   1HD1  LEU 107          1HD1      LEU 107   3.620  -7.658   3.858
  779   2HD1  LEU 107          2HD1      LEU 107   2.719  -6.337   4.597
  780   3HD1  LEU 107          3HD1      LEU 107   2.171  -7.030   3.071
  781   1HD2  LEU 107          1HD2      LEU 107   2.495 -10.021   3.807
  782   2HD2  LEU 107          2HD2      LEU 107   1.152  -9.225   2.985
  783   3HD2  LEU 107          3HD2      LEU 107   0.861 -10.153   4.458
  784    H    LYS 108           H        LYS 108   3.328 -11.495   6.950
  785    HA   LYS 108           HA       LYS 108   4.760 -12.575   4.619
  786   1HB   LYS 108          2HB       LYS 108   5.375 -13.278   7.020
  787   2HB   LYS 108          1HB       LYS 108   3.872 -14.186   7.001
  788   1HG   LYS 108          2HG       LYS 108   4.668 -15.333   4.944
  789   2HG   LYS 108          1HG       LYS 108   6.225 -14.532   5.166
  790   1HD   LYS 108          2HD       LYS 108   6.292 -15.559   7.475
  791   2HD   LYS 108          1HD       LYS 108   4.902 -16.532   6.988
  792   1HE   LYS 108          2HE       LYS 108   7.599 -16.492   5.632
  793   2HE   LYS 108          1HE       LYS 108   7.009 -17.753   6.710
  794   1HZ   LYS 108          1HZ       LYS 108   5.330 -18.341   5.141
  795   2HZ   LYS 108          2HZ       LYS 108   6.805 -18.281   4.309
  796   3HZ   LYS 108          3HZ       LYS 108   5.694 -17.015   4.156
  797    H    ALA 109           H        ALA 109   3.629 -13.443   3.029
  798    HA   ALA 109           HA       ALA 109   0.729 -13.572   3.408
  799   1HB   ALA 109          1HB       ALA 109   0.576 -13.271   0.991
  800   2HB   ALA 109          2HB       ALA 109   2.335 -13.304   0.867
  801   3HB   ALA 109          3HB       ALA 109   1.534 -11.983   1.722
  802    H    ASN 110           H        ASN 110  -0.155 -15.445   3.553
  803    HA   ASN 110           HA       ASN 110   0.400 -17.745   2.084
  804   1HB   ASN 110          2HB       ASN 110   1.397 -19.078   4.086
  805   2HB   ASN 110          1HB       ASN 110   2.448 -18.179   3.018
  806   1HD2  ASN 110          1HD2      ASN 110   0.507 -16.571   5.463
  807   2HD2  ASN 110          2HD2      ASN 110   1.850 -16.108   6.451
  Start of MODEL   13
    1    H    HIS   3           H        HIS   3  -6.088 -10.193   4.631
    2    HA   HIS   3           HA       HIS   3  -5.452  -9.026   7.260
    3   1HB   HIS   3          2HB       HIS   3  -3.671 -10.536   6.827
    4   2HB   HIS   3          1HB       HIS   3  -3.728 -10.184   5.097
    5    HD1  HIS   3           1HD      HIS   3  -2.894  -8.199   8.264
    6    HD2  HIS   3           2HD      HIS   3  -1.646  -8.714   4.318
    7    HE1  HIS   3           1HE      HIS   3  -0.953  -6.630   7.957
    8    HE2  HIS   3           2HE      HIS   3  -0.145  -7.045   5.607
    9    H    LYS   4           H        LYS   4  -4.898  -6.847   7.304
   10    HA   LYS   4           HA       LYS   4  -4.946  -5.434   4.731
   11   1HB   LYS   4          2HB       LYS   4  -6.494  -3.793   5.534
   12   2HB   LYS   4          1HB       LYS   4  -7.193  -5.388   5.805
   13   1HG   LYS   4          2HG       LYS   4  -6.762  -5.289   8.131
   14   2HG   LYS   4          1HG       LYS   4  -5.735  -3.864   7.951
   15   1HD   LYS   4          2HD       LYS   4  -7.714  -2.583   7.194
   16   2HD   LYS   4          1HD       LYS   4  -8.714  -4.007   7.489
   17   1HE   LYS   4          2HE       LYS   4  -8.170  -3.950   9.841
   18   2HE   LYS   4          1HE       LYS   4  -7.042  -2.621   9.582
   19   1HZ   LYS   4          1HZ       LYS   4  -9.982  -2.496   9.137
   20   2HZ   LYS   4          2HZ       LYS   4  -8.888  -1.220   8.912
   21   3HZ   LYS   4          3HZ       LYS   4  -9.155  -1.845  10.463
   22    H    VAL   5           H        VAL   5  -3.825  -3.469   4.685
   23    HA   VAL   5           HA       VAL   5  -2.271  -2.861   7.101
   24    HB   VAL   5           HB       VAL   5  -1.281  -3.221   4.318
   25   1HG1  VAL   5          1HG1      VAL   5   0.636  -1.735   4.706
   26   2HG1  VAL   5          2HG1      VAL   5  -0.185  -1.087   6.126
   27   3HG1  VAL   5          3HG1      VAL   5  -0.885  -0.857   4.525
   28   1HG2  VAL   5          1HG2      VAL   5   0.015  -3.439   7.026
   29   2HG2  VAL   5          2HG2      VAL   5   0.648  -4.048   5.496
   30   3HG2  VAL   5          3HG2      VAL   5  -0.812  -4.756   6.188
   31    H    THR   6           H        THR   6  -1.571  -0.668   7.304
   32    HA   THR   6           HA       THR   6  -3.253   1.370   6.098
   33    HB   THR   6           HB       THR   6  -3.701   2.219   8.493
   34    HG1  THR   6           1HG      THR   6  -3.463   0.801  10.124
   35   1HG2  THR   6          1HG2      THR   6  -5.098  -0.255   7.458
   36   2HG2  THR   6          2HG2      THR   6  -5.478   1.419   7.044
   37   3HG2  THR   6          3HG2      THR   6  -5.741   0.834   8.689
   38    H    LYS   7           H        LYS   7  -2.520   3.596   7.142
   39    HA   LYS   7           HA       LYS   7   0.094   4.020   6.401
   40   1HB   LYS   7          2HB       LYS   7  -1.570   5.802   6.692
   41   2HB   LYS   7          1HB       LYS   7  -1.448   5.630   8.438
   42   1HG   LYS   7          2HG       LYS   7  -0.164   7.544   7.442
   43   2HG   LYS   7          1HG       LYS   7   0.772   6.449   8.463
   44   1HD   LYS   7          2HD       LYS   7   1.707   5.363   6.535
   45   2HD   LYS   7          1HD       LYS   7   0.655   6.272   5.448
   46   1HE   LYS   7          2HE       LYS   7   2.965   7.149   5.498
   47   2HE   LYS   7          1HE       LYS   7   1.780   8.337   6.038
   48   1HZ   LYS   7          1HZ       LYS   7   2.457   8.120   8.244
   49   2HZ   LYS   7          2HZ       LYS   7   3.916   8.103   7.379
   50   3HZ   LYS   7          3HZ       LYS   7   3.265   6.654   7.972
   51    H    ALA   8           H        ALA   8  -1.044   3.212   9.685
   52    HA   ALA   8           HA       ALA   8   1.359   3.641  11.066
   53   1HB   ALA   8          1HB       ALA   8  -0.808   3.170  12.149
   54   2HB   ALA   8          2HB       ALA   8   0.494   2.142  12.755
   55   3HB   ALA   8          3HB       ALA   8  -0.683   1.492  11.613
   56    H    HIS   9           H        HIS   9   0.229   0.921   9.197
   57    HA   HIS   9           HA       HIS   9   2.231  -0.936   9.890
   58   1HB   HIS   9          2HB       HIS   9   0.364  -0.689   7.554
   59   2HB   HIS   9          1HB       HIS   9   1.571  -1.964   7.621
   60    HD1  HIS   9           1HD      HIS   9  -1.809  -1.094   8.784
   61    HD2  HIS   9           2HD      HIS   9   1.163  -3.813   9.828
   62    HE1  HIS   9           1HE      HIS   9  -2.991  -3.002   9.890
   63    HE2  HIS   9           2HE      HIS   9  -1.180  -4.573  10.650
   64    H    ASN  10           H        ASN  10   2.526   1.941   8.267
   65    HA   ASN  10           HA       ASN  10   4.398   1.622   6.274
   66   1HB   ASN  10          2HB       ASN  10   3.576   3.816   6.780
   67   2HB   ASN  10          1HB       ASN  10   4.149   3.718   8.443
   68   1HD2  ASN  10          1HD2      ASN  10   5.005   4.307   5.149
   69   2HD2  ASN  10          2HD2      ASN  10   6.589   4.930   5.449
   70    H    GLY  11           H        GLY  11   4.675   0.845   9.599
   71   1HA   GLY  11          2HA       GLY  11   7.497   0.096   9.159
   72   2HA   GLY  11          1HA       GLY  11   7.049   0.960  10.627
   73    H    ALA  12           H        ALA  12   5.535  -1.712   8.816
   74    HA   ALA  12           HA       ALA  12   5.236  -3.090  11.408
   75   1HB   ALA  12          1HB       ALA  12   3.107  -2.550  10.662
   76   2HB   ALA  12          2HB       ALA  12   3.307  -4.231  10.155
   77   3HB   ALA  12          3HB       ALA  12   3.500  -2.922   8.987
   78    H    THR  13           H        THR  13   5.385  -5.336  11.511
   79    HA   THR  13           HA       THR  13   6.189  -6.864   9.166
   80    HB   THR  13           HB       THR  13   7.826  -6.920  11.718
   81    HG1  THR  13           1HG      THR  13   7.965  -5.268   9.615
   82   1HG2  THR  13          1HG2      THR  13   7.732  -9.086  10.599
   83   2HG2  THR  13          2HG2      THR  13   9.335  -8.372  10.421
   84   3HG2  THR  13          3HG2      THR  13   8.200  -8.335   9.074
   85    H    LEU  14           H        LEU  14   4.566  -8.350   9.179
   86    HA   LEU  14           HA       LEU  14   3.908  -9.700  11.687
   87   1HB   LEU  14          2HB       LEU  14   1.543  -8.936  10.115
   88   2HB   LEU  14          1HB       LEU  14   1.745  -9.068  11.848
   89    HG   LEU  14           HG       LEU  14   3.107  -6.858  11.592
   90   1HD1  LEU  14          1HD1      LEU  14   1.384  -6.799   9.124
   91   2HD1  LEU  14          2HD1      LEU  14   3.141  -6.931   9.151
   92   3HD1  LEU  14          3HD1      LEU  14   2.358  -5.468   9.752
   93   1HD2  LEU  14          1HD2      LEU  14   1.046  -5.572  11.890
   94   2HD2  LEU  14          2HD2      LEU  14   1.010  -7.070  12.819
   95   3HD2  LEU  14          3HD2      LEU  14   0.104  -6.944  11.310
   96    H    THR  15           H        THR  15   2.364 -11.508  11.353
   97    HA   THR  15           HA       THR  15   2.840 -12.837   8.776
   98    HB   THR  15           HB       THR  15   1.907 -13.909  11.444
   99    HG1  THR  15           1HG      THR  15   4.284 -13.437  10.652
  100   1HG2  THR  15          1HG2      THR  15   0.762 -15.001   9.528
  101   2HG2  THR  15          2HG2      THR  15   1.820 -16.098  10.428
  102   3HG2  THR  15          3HG2      THR  15   2.346 -15.435   8.879
  103    H    VAL  16           H        VAL  16   1.136 -13.481   7.469
  104    HA   VAL  16           HA       VAL  16  -1.529 -12.573   8.346
  105    HB   VAL  16           HB       VAL  16  -1.971 -11.512   6.307
  106   1HG1  VAL  16          1HG1      VAL  16   0.931 -10.978   6.942
  107   2HG1  VAL  16          2HG1      VAL  16  -0.459 -10.259   7.756
  108   3HG1  VAL  16          3HG1      VAL  16  -0.151  -9.898   6.057
  109   1HG2  VAL  16          1HG2      VAL  16   0.539 -12.746   5.164
  110   2HG2  VAL  16          2HG2      VAL  16  -0.554 -11.640   4.324
  111   3HG2  VAL  16          3HG2      VAL  16  -1.118 -13.239   4.803
  112    H    ALA  17           H        ALA  17  -3.326 -13.518   7.225
  113    HA   ALA  17           HA       ALA  17  -2.749 -16.070   5.868
  114   1HB   ALA  17          1HB       ALA  17  -5.117 -15.184   7.508
  115   2HB   ALA  17          2HB       ALA  17  -3.977 -16.476   7.893
  116   3HB   ALA  17          3HB       ALA  17  -5.096 -16.658   6.539
  117    H    VAL  18           H        VAL  18  -3.147 -15.962   3.713
  118    HA   VAL  18           HA       VAL  18  -4.999 -13.852   2.816
  119    HB   VAL  18           HB       VAL  18  -3.177 -15.309   0.930
  120   1HG1  VAL  18          1HG1      VAL  18  -4.887 -13.834   0.005
  121   2HG1  VAL  18          2HG1      VAL  18  -3.278 -13.172  -0.283
  122   3HG1  VAL  18          3HG1      VAL  18  -4.293 -12.501   0.995
  123   1HG2  VAL  18          1HG2      VAL  18  -1.921 -14.396   2.978
  124   2HG2  VAL  18          2HG2      VAL  18  -2.307 -12.804   2.333
  125   3HG2  VAL  18          3HG2      VAL  18  -1.343 -13.934   1.376
  126    H    GLY  19           H        GLY  19  -5.283 -15.110   0.188
  127   1HA   GLY  19          2HA       GLY  19  -6.339 -17.126  -0.657
  128   2HA   GLY  19          1HA       GLY  19  -6.971 -17.399   0.966
  129    H    GLU  20           H        GLU  20  -8.055 -15.131   1.703
  130    HA   GLU  20           HA       GLU  20 -10.269 -14.674  -0.072
  131   1HB   GLU  20          2HB       GLU  20  -9.488 -13.201   2.460
  132   2HB   GLU  20          1HB       GLU  20 -11.050 -13.124   1.656
  133   1HG   GLU  20          2HG       GLU  20  -9.857 -15.604   2.874
  134   2HG   GLU  20          1HG       GLU  20 -11.049 -14.567   3.657
  135    H    LEU  21           H        LEU  21  -8.211 -12.299   1.528
  136    HA   LEU  21           HA       LEU  21  -7.123 -11.220  -0.866
  137   1HB   LEU  21          2HB       LEU  21  -9.333 -10.269  -1.115
  138   2HB   LEU  21          1HB       LEU  21  -9.333  -9.720   0.547
  139    HG   LEU  21           HG       LEU  21  -7.506  -8.135  -0.008
  140   1HD1  LEU  21          1HD1      LEU  21  -8.004  -9.012  -2.845
  141   2HD1  LEU  21          2HD1      LEU  21  -6.558  -9.364  -1.901
  142   3HD1  LEU  21          3HD1      LEU  21  -6.950  -7.699  -2.325
  143   1HD2  LEU  21          1HD2      LEU  21  -9.837  -7.415  -0.029
  144   2HD2  LEU  21          2HD2      LEU  21  -9.972  -7.893  -1.723
  145   3HD2  LEU  21          3HD2      LEU  21  -8.898  -6.573  -1.262
  146    H    VAL  22           H        VAL  22  -5.353  -9.903  -0.392
  147    HA   VAL  22           HA       VAL  22  -5.144  -9.081   2.432
  148    HB   VAL  22           HB       VAL  22  -3.144 -10.488   0.751
  149   1HG1  VAL  22          1HG1      VAL  22  -1.252  -9.470   2.035
  150   2HG1  VAL  22          2HG1      VAL  22  -2.366  -8.227   2.611
  151   3HG1  VAL  22          3HG1      VAL  22  -2.004  -8.357   0.892
  152   1HG2  VAL  22          1HG2      VAL  22  -4.206 -11.506   2.684
  153   2HG2  VAL  22          2HG2      VAL  22  -3.595 -10.218   3.719
  154   3HG2  VAL  22          3HG2      VAL  22  -2.471 -11.334   2.941
  155    H    GLU  23           H        GLU  23  -5.356  -6.967   2.599
  156    HA   GLU  23           HA       GLU  23  -4.719  -5.402   0.205
  157   1HB   GLU  23          2HB       GLU  23  -6.623  -4.279   0.463
  158   2HB   GLU  23          1HB       GLU  23  -7.077  -5.519   1.618
  159   1HG   GLU  23          2HG       GLU  23  -6.457  -4.168   3.455
  160   2HG   GLU  23          1HG       GLU  23  -5.637  -3.004   2.410
  161    H    ILE  24           H        ILE  24  -3.404  -3.750   0.255
  162    HA   ILE  24           HA       ILE  24  -2.236  -2.922   2.831
  163    HB   ILE  24           HB       ILE  24  -1.013  -2.746   0.066
  164   1HG1  ILE  24          2HG1      ILE  24  -1.149  -5.064   0.834
  165   2HG1  ILE  24          1HG1      ILE  24   0.526  -4.511   0.821
  166   1HG2  ILE  24          1HG2      ILE  24   0.163  -2.151   2.774
  167   2HG2  ILE  24          2HG2      ILE  24  -0.286  -0.961   1.553
  168   3HG2  ILE  24          3HG2      ILE  24   1.028  -2.096   1.239
  169   1HD1  ILE  24          1HD1      ILE  24   0.460  -4.196   3.223
  170   2HD1  ILE  24          2HD1      ILE  24  -0.025  -5.839   2.811
  171   3HD1  ILE  24          3HD1      ILE  24  -1.246  -4.645   3.261
  172    H    GLN  25           H        GLN  25  -3.406  -1.119   3.340
  173    HA   GLN  25           HA       GLN  25  -4.188   0.614   1.110
  174   1HB   GLN  25          2HB       GLN  25  -6.118  -0.103   2.173
  175   2HB   GLN  25          1HB       GLN  25  -5.396   0.033   3.777
  176   1HG   GLN  25          2HG       GLN  25  -5.537   2.559   2.369
  177   2HG   GLN  25          1HG       GLN  25  -7.115   1.814   2.591
  178   1HE2  GLN  25          1HE2      GLN  25  -4.322   3.123   4.239
  179   2HE2  GLN  25          2HE2      GLN  25  -5.084   3.317   5.779
  180    H    LEU  26           H        LEU  26  -3.720   2.737   1.093
  181    HA   LEU  26           HA       LEU  26  -2.500   3.769   3.497
  182   1HB   LEU  26          2HB       LEU  26  -1.490   3.951   0.724
  183   2HB   LEU  26          1HB       LEU  26  -1.157   5.263   1.851
  184    HG   LEU  26           HG       LEU  26  -0.663   2.521   2.830
  185   1HD1  LEU  26          1HD1      LEU  26   1.139   3.863   0.834
  186   2HD1  LEU  26          2HD1      LEU  26   0.229   2.368   0.594
  187   3HD1  LEU  26          3HD1      LEU  26   1.531   2.427   1.782
  188   1HD2  LEU  26          1HD2      LEU  26  -0.285   4.431   4.251
  189   2HD2  LEU  26          2HD2      LEU  26   0.818   5.126   3.063
  190   3HD2  LEU  26          3HD2      LEU  26   1.240   3.625   3.888
  191    HA   PRO  27           HA       PRO  27  -5.647   6.738   3.269
  192   1HB   PRO  27          2HB       PRO  27  -4.792   8.435   5.148
  193   2HB   PRO  27          1HB       PRO  27  -5.270   6.779   5.564
  194   1HG   PRO  27          2HG       PRO  27  -2.513   7.903   5.120
  195   2HG   PRO  27          1HG       PRO  27  -3.100   6.845   6.429
  196   1HD   PRO  27          2HD       PRO  27  -1.757   5.925   4.252
  197   2HD   PRO  27          1HD       PRO  27  -2.951   4.960   5.139
  198    H    SER  28           H        SER  28  -2.835   7.132   1.784
  199    HA   SER  28           HA       SER  28  -1.888   8.658   0.424
  200   1HB   SER  28          2HB       SER  28  -4.269   9.142  -0.286
  201   2HB   SER  28          1HB       SER  28  -4.283  10.438   0.920
  202    HG   SER  28           HG       SER  28  -2.726  10.208  -1.439
  203    H    ASN  29           H        ASN  29  -3.518  10.308   3.047
  204    HA   ASN  29           HA       ASN  29  -2.963  12.079   4.358
  205   1HB   ASN  29          2HB       ASN  29  -0.070  11.320   4.230
  206   2HB   ASN  29          1HB       ASN  29  -1.004  11.878   5.604
  207   1HD2  ASN  29          1HD2      ASN  29   0.156   9.185   3.879
  208   2HD2  ASN  29          2HD2      ASN  29  -0.499   7.961   4.912
  209    HA   PRO  30           HA       PRO  30  -1.767  13.683   0.110
  210   1HB   PRO  30          2HB       PRO  30  -3.510  15.837   1.257
  211   2HB   PRO  30          1HB       PRO  30  -3.412  15.235  -0.408
  212   1HG   PRO  30          2HG       PRO  30  -5.366  14.352   1.069
  213   2HG   PRO  30          1HG       PRO  30  -4.390  13.168   0.171
  214   1HD   PRO  30          2HD       PRO  30  -4.259  13.888   3.069
  215   2HD   PRO  30          1HD       PRO  30  -4.224  12.283   2.304
  216    H    THR  31           H        THR  31   0.037  14.604  -0.301
  217    HA   THR  31           HA       THR  31   0.871  17.040   0.967
  218    HB   THR  31           HB       THR  31   1.587  15.567   2.695
  219    HG1  THR  31           1HG      THR  31   3.220  17.108   1.505
  220   1HG2  THR  31          1HG2      THR  31   3.038  13.897   0.640
  221   2HG2  THR  31          2HG2      THR  31   1.492  13.462   1.363
  222   3HG2  THR  31          3HG2      THR  31   2.935  13.596   2.375
  223    H    THR  32           H        THR  32   1.031  17.963  -1.022
  224    HA   THR  32           HA       THR  32   2.135  18.676  -2.885
  225    HB   THR  32           HB       THR  32   4.152  16.470  -2.366
  226    HG1  THR  32           1HG      THR  32   3.612  18.182  -0.640
  227   1HG2  THR  32          1HG2      THR  32   5.722  18.111  -3.443
  228   2HG2  THR  32          2HG2      THR  32   4.313  19.069  -3.900
  229   3HG2  THR  32          3HG2      THR  32   4.514  17.435  -4.534
  230    H    GLY  33           H        GLY  33   2.870  17.687  -5.166
  231   1HA   GLY  33          2HA       GLY  33   0.764  16.212  -6.239
  232   2HA   GLY  33          1HA       GLY  33   2.314  16.446  -7.012
  233    H    PHE  34           H        PHE  34   3.293  15.005  -4.358
  234    HA   PHE  34           HA       PHE  34   3.808  12.501  -5.387
  235   1HB   PHE  34          2HB       PHE  34   3.413  13.061  -2.451
  236   2HB   PHE  34          1HB       PHE  34   4.436  11.837  -3.184
  237    HD1  PHE  34           1HD      PHE  34   5.080  14.012  -1.097
  238    HD2  PHE  34           2HD      PHE  34   5.631  13.758  -5.304
  239    HE1  PHE  34           1HE      PHE  34   6.996  15.541  -0.932
  240    HE2  PHE  34           2HE      PHE  34   7.549  15.289  -5.147
  241    HZ   PHE  34           HZ       PHE  34   8.235  16.179  -2.959
  242    H    ALA  35           H        ALA  35   2.954  10.426  -4.939
  243    HA   ALA  35           HA       ALA  35   0.451  10.147  -3.507
  244   1HB   ALA  35          1HB       ALA  35  -0.745   9.111  -5.367
  245   2HB   ALA  35          2HB       ALA  35   0.644   9.353  -6.429
  246   3HB   ALA  35          3HB       ALA  35  -0.254  10.746  -5.821
  247    H    TRP  36           H        TRP  36  -0.037   7.846  -3.088
  248    HA   TRP  36           HA       TRP  36   2.412   6.375  -2.727
  249   1HB   TRP  36          2HB       TRP  36  -0.434   5.529  -2.062
  250   2HB   TRP  36          1HB       TRP  36   1.025   4.631  -1.658
  251    HD1  TRP  36           HD       TRP  36  -1.174   7.425  -0.391
  252    HE1  TRP  36           1HE      TRP  36  -0.251   8.231   1.866
  253    HE3  TRP  36           3HE      TRP  36   3.308   5.007  -0.452
  254    HZ2  TRP  36           2HZ      TRP  36   2.061   7.873   3.432
  255    HZ3  TRP  36           3HZ      TRP  36   4.828   5.281   1.450
  256    HH2  TRP  36           HH       TRP  36   4.224   6.695   3.357
  257    H    TYR  37           H        TYR  37   3.289   5.390  -4.422
  258    HA   TYR  37           HA       TYR  37   1.805   3.165  -5.499
  259   1HB   TYR  37          2HB       TYR  37   2.703   3.675  -7.832
  260   2HB   TYR  37          1HB       TYR  37   1.325   4.620  -7.283
  261    HD1  TYR  37           1HD      TYR  37   1.455   7.000  -7.305
  262    HD2  TYR  37           2HD      TYR  37   4.989   4.659  -7.596
  263    HE1  TYR  37           1HE      TYR  37   2.753   9.020  -7.794
  264    HE2  TYR  37           2HE      TYR  37   6.280   6.667  -8.079
  265    HH   TYR  37           HH       TYR  37   4.965   9.813  -7.752
  266    H    PHE  38           H        PHE  38   3.150   1.462  -6.260
  267    HA   PHE  38           HA       PHE  38   5.053   0.809  -4.448
  268   1HB   PHE  38          2HB       PHE  38   4.231  -0.225  -7.035
  269   2HB   PHE  38          1HB       PHE  38   5.898  -0.592  -6.617
  270    HD1  PHE  38           1HD      PHE  38   2.462  -1.433  -6.124
  271    HD2  PHE  38           2HD      PHE  38   6.337  -1.751  -4.392
  272    HE1  PHE  38           1HE      PHE  38   1.669  -3.279  -4.703
  273    HE2  PHE  38           2HE      PHE  38   5.552  -3.599  -2.971
  274    HZ   PHE  38           HZ       PHE  38   3.218  -4.369  -3.134
  275    H    GLU  39           H        GLU  39   6.167   1.159  -7.820
  276    HA   GLU  39           HA       GLU  39   8.575   2.397  -6.687
  277   1HB   GLU  39          2HB       GLU  39   9.864   1.322  -8.527
  278   2HB   GLU  39          1HB       GLU  39   9.149   0.185  -7.394
  279   1HG   GLU  39          2HG       GLU  39   7.406  -0.357  -8.959
  280   2HG   GLU  39          1HG       GLU  39   7.972   0.884 -10.076
  281    H    GLY  40           H        GLY  40   6.007   2.847  -8.796
  282   1HA   GLY  40          2HA       GLY  40   6.089   5.380  -9.307
  283   2HA   GLY  40          1HA       GLY  40   7.484   4.924 -10.272
  284    H    GLY  41           H        GLY  41   4.035   4.956 -10.020
  285   1HA   GLY  41          2HA       GLY  41   2.385   4.624 -11.588
  286   2HA   GLY  41          1HA       GLY  41   3.646   4.683 -12.812
  287    H    THR  42           H        THR  42   4.122   2.393 -10.367
  288    HA   THR  42           HA       THR  42   3.018   0.208 -11.960
  289    HB   THR  42           HB       THR  42   5.279  -0.933 -11.075
  290    HG1  THR  42           1HG      THR  42   6.762   0.979 -12.059
  291   1HG2  THR  42          1HG2      THR  42   4.398  -1.121 -13.334
  292   2HG2  THR  42          2HG2      THR  42   6.120  -0.744 -13.383
  293   3HG2  THR  42          3HG2      THR  42   4.930   0.519 -13.706
  294    H    LYS  43           H        LYS  43   2.332  -1.513 -10.843
  295    HA   LYS  43           HA       LYS  43   3.248  -1.799  -8.099
  296   1HB   LYS  43          2HB       LYS  43   0.841  -2.475  -7.529
  297   2HB   LYS  43          1HB       LYS  43   1.261  -0.775  -7.573
  298   1HG   LYS  43          2HG       LYS  43  -0.811  -0.901  -8.634
  299   2HG   LYS  43          1HG       LYS  43   0.349  -0.793  -9.956
  300   1HD   LYS  43          2HD       LYS  43   0.240  -3.283 -10.149
  301   2HD   LYS  43          1HD       LYS  43  -1.067  -3.263  -8.962
  302   1HE   LYS  43          2HE       LYS  43  -2.406  -1.867 -10.443
  303   2HE   LYS  43          1HE       LYS  43  -1.091  -1.830 -11.617
  304   1HZ   LYS  43          1HZ       LYS  43  -2.583  -4.252 -10.762
  305   2HZ   LYS  43          2HZ       LYS  43  -1.309  -4.224 -11.884
  306   3HZ   LYS  43          3HZ       LYS  43  -2.771  -3.436 -12.236
  307    H    GLU  44           H        GLU  44   3.796  -3.787  -7.597
  308    HA   GLU  44           HA       GLU  44   2.569  -6.033  -8.997
  309   1HB   GLU  44          2HB       GLU  44   4.849  -7.094  -9.198
  310   2HB   GLU  44          1HB       GLU  44   4.555  -5.734 -10.274
  311   1HG   GLU  44          2HG       GLU  44   5.797  -4.275  -8.752
  312   2HG   GLU  44          1HG       GLU  44   6.109  -5.654  -7.698
  313    H    SER  45           H        SER  45   2.957  -8.091  -7.894
  314    HA   SER  45           HA       SER  45   3.206  -7.707  -4.980
  315   1HB   SER  45          2HB       SER  45   1.070  -8.700  -5.933
  316   2HB   SER  45          1HB       SER  45   2.023 -10.086  -6.455
  317    HG   SER  45           HG       SER  45   1.581 -10.802  -4.528
  318    HA   PRO  46           HA       PRO  46   7.125  -9.840  -5.310
  319   1HB   PRO  46          2HB       PRO  46   6.792 -10.442  -2.451
  320   2HB   PRO  46          1HB       PRO  46   8.021  -9.464  -3.259
  321   1HG   PRO  46          2HG       PRO  46   6.112  -8.348  -1.744
  322   2HG   PRO  46          1HG       PRO  46   6.726  -7.555  -3.207
  323   1HD   PRO  46          2HD       PRO  46   4.200  -9.126  -2.829
  324   2HD   PRO  46          1HD       PRO  46   4.447  -7.595  -3.691
  325    H    ASN  47           H        ASN  47   4.845 -11.362  -6.018
  326    HA   ASN  47           HA       ASN  47   5.812 -13.957  -6.013
  327   1HB   ASN  47          2HB       ASN  47   5.012 -13.711  -3.526
  328   2HB   ASN  47          1HB       ASN  47   3.404 -13.858  -4.219
  329   1HD2  ASN  47          1HD2      ASN  47   4.703 -15.636  -2.386
  330   2HD2  ASN  47          2HD2      ASN  47   4.814 -17.181  -3.159
  331    H    GLU  48           H        GLU  48   4.828 -12.154  -7.824
  332    HA   GLU  48           HA       GLU  48   2.024 -12.557  -8.290
  333   1HB   GLU  48          2HB       GLU  48   2.288 -10.948 -10.047
  334   2HB   GLU  48          1HB       GLU  48   3.226 -10.414  -8.659
  335   1HG   GLU  48          2HG       GLU  48   4.505 -11.904 -10.921
  336   2HG   GLU  48          1HG       GLU  48   4.247 -10.164 -10.995
  337    H    SER  49           H        SER  49   3.207 -15.017  -8.352
  338    HA   SER  49           HA       SER  49   3.947 -15.797 -11.004
  339   1HB   SER  49          2HB       SER  49   3.150 -17.476  -8.616
  340   2HB   SER  49          1HB       SER  49   3.906 -18.085 -10.091
  341    HG   SER  49           HG       SER  49   5.297 -16.002  -9.008
  342    H    MET  50           H        MET  50   1.010 -16.009  -9.064
  343    HA   MET  50           HA       MET  50  -0.483 -16.697 -11.489
  344   1HB   MET  50          2HB       MET  50  -1.814 -18.307 -10.312
  345   2HB   MET  50          1HB       MET  50  -0.119 -18.718 -10.166
  346   1HG   MET  50          2HG       MET  50  -1.866 -17.462  -8.045
  347   2HG   MET  50          1HG       MET  50  -1.243 -19.108  -8.075
  348   1HE   MET  50          1HE       MET  50  -1.040 -16.972  -5.659
  349   2HE   MET  50          2HE       MET  50   0.591 -17.306  -5.077
  350   3HE   MET  50          3HE       MET  50  -0.475 -18.636  -5.525
  351    H    PHE  51           H        PHE  51  -0.172 -14.959  -8.599
  352    HA   PHE  51           HA       PHE  51  -2.856 -13.819  -8.879
  353   1HB   PHE  51          2HB       PHE  51  -1.486 -14.992  -6.529
  354   2HB   PHE  51          1HB       PHE  51  -2.386 -13.510  -6.227
  355    HD1  PHE  51           1HD      PHE  51  -3.008 -16.520  -8.356
  356    HD2  PHE  51           2HD      PHE  51  -4.420 -13.984  -5.247
  357    HE1  PHE  51           1HE      PHE  51  -5.076 -17.840  -8.225
  358    HE2  PHE  51           2HE      PHE  51  -6.489 -15.302  -5.112
  359    HZ   PHE  51           HZ       PHE  51  -6.864 -17.165  -6.642
  360    H    THR  52           H        THR  52  -2.902 -11.545  -7.665
  361    HA   THR  52           HA       THR  52  -0.505 -10.083  -8.385
  362    HB   THR  52           HB       THR  52  -1.463 -10.689 -10.568
  363    HG1  THR  52           1HG      THR  52  -1.383  -8.593 -11.417
  364   1HG2  THR  52          1HG2      THR  52  -3.585  -9.677 -11.292
  365   2HG2  THR  52          2HG2      THR  52  -3.847  -9.074  -9.655
  366   3HG2  THR  52          3HG2      THR  52  -3.813 -10.811  -9.961
  367    H    VAL  53           H        VAL  53  -0.996  -7.661  -8.521
  368    HA   VAL  53           HA       VAL  53  -2.542  -6.950  -6.132
  369    HB   VAL  53           HB       VAL  53  -0.498  -5.308  -7.641
  370   1HG1  VAL  53          1HG1      VAL  53  -2.049  -3.958  -6.349
  371   2HG1  VAL  53          2HG1      VAL  53  -0.441  -3.925  -5.627
  372   3HG1  VAL  53          3HG1      VAL  53  -1.709  -4.918  -4.910
  373   1HG2  VAL  53          1HG2      VAL  53   1.043  -5.856  -5.814
  374   2HG2  VAL  53          2HG2      VAL  53   0.562  -7.278  -6.739
  375   3HG2  VAL  53          3HG2      VAL  53  -0.156  -6.971  -5.158
  376    H    GLU  54           H        GLU  54  -4.398  -5.969  -6.362
  377    HA   GLU  54           HA       GLU  54  -5.023  -4.457  -8.805
  378   1HB   GLU  54          2HB       GLU  54  -6.871  -5.502  -6.639
  379   2HB   GLU  54          1HB       GLU  54  -7.361  -4.752  -8.153
  380   1HG   GLU  54          2HG       GLU  54  -6.575  -6.591  -9.424
  381   2HG   GLU  54          1HG       GLU  54  -5.746  -7.282  -8.031
  382    H    ASN  55           H        ASN  55  -4.923  -2.287  -8.627
  383    HA   ASN  55           HA       ASN  55  -4.656  -1.190  -5.910
  384   1HB   ASN  55          2HB       ASN  55  -3.437   0.676  -6.970
  385   2HB   ASN  55          1HB       ASN  55  -2.669  -0.880  -7.268
  386   1HD2  ASN  55          1HD2      ASN  55  -2.469   1.632  -8.743
  387   2HD2  ASN  55          2HD2      ASN  55  -2.959   1.273 -10.365
  388    H    LYS  56           H        LYS  56  -5.612   0.790  -5.358
  389    HA   LYS  56           HA       LYS  56  -7.456   2.042  -7.167
  390   1HB   LYS  56          2HB       LYS  56  -9.396   1.140  -6.498
  391   2HB   LYS  56          1HB       LYS  56  -8.422  -0.125  -5.777
  392   1HG   LYS  56          2HG       LYS  56  -8.827   2.185  -4.040
  393   2HG   LYS  56          1HG       LYS  56 -10.305   1.336  -4.487
  394   1HD   LYS  56          2HD       LYS  56  -8.913  -0.789  -3.864
  395   2HD   LYS  56          1HD       LYS  56  -7.938   0.356  -2.930
  396   1HE   LYS  56          2HE       LYS  56  -9.599  -0.498  -1.489
  397   2HE   LYS  56          1HE       LYS  56 -10.050   1.160  -1.878
  398   1HZ   LYS  56          1HZ       LYS  56 -11.967  -0.305  -1.971
  399   2HZ   LYS  56          2HZ       LYS  56 -11.202  -1.283  -3.126
  400   3HZ   LYS  56          3HZ       LYS  56 -11.625   0.311  -3.516
  401    H    TYR  57           H        TYR  57  -7.181   4.141  -6.807
  402    HA   TYR  57           HA       TYR  57  -6.352   4.975  -4.110
  403   1HB   TYR  57          2HB       TYR  57  -5.772   6.570  -6.546
  404   2HB   TYR  57          1HB       TYR  57  -4.971   6.628  -4.993
  405    HD1  TYR  57           1HD      TYR  57  -4.623   5.663  -8.291
  406    HD2  TYR  57           2HD      TYR  57  -3.769   4.263  -4.363
  407    HE1  TYR  57           1HE      TYR  57  -2.851   4.227  -9.194
  408    HE2  TYR  57           2HE      TYR  57  -1.996   2.829  -5.263
  409    HH   TYR  57           HH       TYR  57  -0.729   3.170  -8.330
  410    H    PHE  58           H        PHE  58  -7.508   6.497  -3.069
  411    HA   PHE  58           HA       PHE  58  -9.241   8.252  -4.676
  412   1HB   PHE  58          2HB       PHE  58  -9.901   6.990  -2.004
  413   2HB   PHE  58          1HB       PHE  58 -10.831   8.290  -2.732
  414    HD1  PHE  58           1HD      PHE  58  -9.872   4.753  -3.037
  415    HD2  PHE  58           2HD      PHE  58 -12.389   7.866  -4.475
  416    HE1  PHE  58           1HE      PHE  58 -11.240   3.090  -4.221
  417    HE2  PHE  58           2HE      PHE  58 -13.764   6.207  -5.666
  418    HZ   PHE  58           HZ       PHE  58 -13.188   3.816  -5.536
  419    HA   PRO  59           HA       PRO  59  -6.763  11.124  -2.166
  420   1HB   PRO  59          2HB       PRO  59  -7.017  12.913  -4.433
  421   2HB   PRO  59          1HB       PRO  59  -5.558  12.164  -3.782
  422   1HG   PRO  59          2HG       PRO  59  -6.595  11.520  -6.213
  423   2HG   PRO  59          1HG       PRO  59  -5.684  10.371  -5.208
  424   1HD   PRO  59          2HD       PRO  59  -8.662  10.667  -5.511
  425   2HD   PRO  59          1HD       PRO  59  -7.674   9.187  -5.511
  426    HA   PRO  60           HA       PRO  60 -10.445  13.396  -1.150
  427   1HB   PRO  60          2HB       PRO  60  -9.606  14.368   1.182
  428   2HB   PRO  60          1HB       PRO  60  -9.871  12.637   0.958
  429   1HG   PRO  60          2HG       PRO  60  -7.324  14.159   1.091
  430   2HG   PRO  60          1HG       PRO  60  -7.677  12.505   1.618
  431   1HD   PRO  60          2HD       PRO  60  -6.448  13.301  -0.802
  432   2HD   PRO  60          1HD       PRO  60  -7.002  11.669  -0.374
  433    H    ASP  61           H        ASP  61  -7.405  14.832  -1.846
  434    HA   ASP  61           HA       ASP  61  -8.431  17.337  -2.589
  435   1HB   ASP  61          2HB       ASP  61  -8.677  17.445  -0.051
  436   2HB   ASP  61          1HB       ASP  61  -6.915  17.448   0.016
  437    H    SER  62           H        SER  62  -5.681  15.715  -1.133
  438    HA   SER  62           HA       SER  62  -3.633  15.230  -1.902
  439   1HB   SER  62          2HB       SER  62  -4.384  16.679  -4.445
  440   2HB   SER  62          1HB       SER  62  -3.031  15.567  -4.228
  441    HG   SER  62           HG       SER  62  -5.060  14.695  -5.170
  442    H    LYS  63           H        LYS  63  -4.487  18.590  -2.828
  443    HA   LYS  63           HA       LYS  63  -1.812  19.441  -2.146
  444   1HB   LYS  63          2HB       LYS  63  -2.973  21.794  -2.483
  445   2HB   LYS  63          1HB       LYS  63  -2.501  20.795  -3.846
  446   1HG   LYS  63          2HG       LYS  63  -4.675  21.713  -4.240
  447   2HG   LYS  63          1HG       LYS  63  -4.817  19.973  -4.006
  448   1HD   LYS  63          2HD       LYS  63  -6.609  21.068  -2.839
  449   2HD   LYS  63          1HD       LYS  63  -5.490  20.383  -1.663
  450   1HE   LYS  63          2HE       LYS  63  -4.477  22.599  -1.362
  451   2HE   LYS  63          1HE       LYS  63  -5.624  23.271  -2.520
  452   1HZ   LYS  63          1HZ       LYS  63  -6.285  23.610  -0.184
  453   2HZ   LYS  63          2HZ       LYS  63  -6.395  21.927   0.012
  454   3HZ   LYS  63          3HZ       LYS  63  -7.431  22.720  -1.062
  455    H    LEU  64           H        LEU  64  -4.211  18.521  -0.237
  456    HA   LEU  64           HA       LEU  64  -3.031  19.736   2.046
  457   1HB   LEU  64          2HB       LEU  64  -4.741  21.461   1.061
  458   2HB   LEU  64          1HB       LEU  64  -5.938  20.399   1.772
  459    HG   LEU  64           HG       LEU  64  -3.717  21.717   3.345
  460   1HD1  LEU  64          1HD1      LEU  64  -6.595  22.550   3.017
  461   2HD1  LEU  64          2HD1      LEU  64  -5.182  23.406   2.400
  462   3HD1  LEU  64          3HD1      LEU  64  -5.437  23.264   4.140
  463   1HD2  LEU  64          1HD2      LEU  64  -4.607  19.701   4.388
  464   2HD2  LEU  64          2HD2      LEU  64  -6.246  20.332   4.232
  465   3HD2  LEU  64          3HD2      LEU  64  -5.086  21.141   5.286
  466    H    LEU  65           H        LEU  65  -6.446  18.901   1.864
  467    HA   LEU  65           HA       LEU  65  -6.308  16.149   2.365
  468   1HB   LEU  65          2HB       LEU  65  -5.357  17.484   4.550
  469   2HB   LEU  65          1HB       LEU  65  -7.064  17.383   4.937
  470    HG   LEU  65           HG       LEU  65  -6.536  14.801   4.203
  471   1HD1  LEU  65          1HD1      LEU  65  -4.077  15.862   5.587
  472   2HD1  LEU  65          2HD1      LEU  65  -4.163  15.195   3.954
  473   3HD1  LEU  65          3HD1      LEU  65  -4.463  14.156   5.351
  474   1HD2  LEU  65          1HD2      LEU  65  -7.772  15.500   6.173
  475   2HD2  LEU  65          2HD2      LEU  65  -6.282  16.046   6.942
  476   3HD2  LEU  65          3HD2      LEU  65  -6.528  14.330   6.615
  477    H    GLY  66           H        GLY  66  -8.369  15.304   2.307
  478   1HA   GLY  66          2HA       GLY  66 -10.567  17.261   2.160
  479   2HA   GLY  66          1HA       GLY  66 -10.564  15.678   1.403
  480    H    ALA  67           H        ALA  67  -9.296  14.750   4.003
  481    HA   ALA  67           HA       ALA  67 -10.962  14.884   6.187
  482   1HB   ALA  67          1HB       ALA  67 -11.723  12.579   4.370
  483   2HB   ALA  67          2HB       ALA  67 -12.747  13.964   4.753
  484   3HB   ALA  67          3HB       ALA  67 -12.294  12.826   6.021
  485    H    GLY  68           H        GLY  68  -9.309  12.649   4.043
  486   1HA   GLY  68          2HA       GLY  68  -7.054  12.415   5.751
  487   2HA   GLY  68          1HA       GLY  68  -8.053  10.966   5.835
  488    H    GLY  69           H        GLY  69  -8.887  10.439   3.467
  489   1HA   GLY  69          2HA       GLY  69  -8.160  10.375   1.117
  490   2HA   GLY  69          1HA       GLY  69  -6.508  10.313   1.726
  491    H    THR  70           H        THR  70  -7.769   8.373  -0.033
  492    HA   THR  70           HA       THR  70  -7.148   6.040   1.556
  493    HB   THR  70           HB       THR  70  -9.367   5.027   0.389
  494    HG1  THR  70           1HG      THR  70  -9.755   7.764   0.750
  495   1HG2  THR  70          1HG2      THR  70  -9.225   6.325   3.107
  496   2HG2  THR  70          2HG2      THR  70  -8.590   4.730   2.699
  497   3HG2  THR  70          3HG2      THR  70 -10.331   5.037   2.620
  498    H    GLU  71           H        GLU  71  -5.398   6.084   0.083
  499    HA   GLU  71           HA       GLU  71  -6.035   5.054  -2.603
  500   1HB   GLU  71          2HB       GLU  71  -3.374   6.061  -1.558
  501   2HB   GLU  71          1HB       GLU  71  -3.762   5.659  -3.225
  502   1HG   GLU  71          2HG       GLU  71  -5.415   7.509  -3.232
  503   2HG   GLU  71          1HG       GLU  71  -4.869   7.949  -1.615
  504    H    HIS  72           H        HIS  72  -6.167   2.838  -2.501
  505    HA   HIS  72           HA       HIS  72  -4.402   1.537  -0.532
  506   1HB   HIS  72          2HB       HIS  72  -6.775   0.107  -1.659
  507   2HB   HIS  72          1HB       HIS  72  -5.900  -0.164  -0.167
  508    HD1  HIS  72           1HD      HIS  72  -8.080  -0.302   1.130
  509    HD2  HIS  72           2HD      HIS  72  -7.416   3.372  -0.687
  510    HE1  HIS  72           1HE      HIS  72  -9.894   1.211   1.964
  511    HE2  HIS  72           2HE      HIS  72  -9.651   3.311   0.613
  512    H    PHE  73           H        PHE  73  -3.585  -0.486  -0.991
  513    HA   PHE  73           HA       PHE  73  -3.419  -1.261  -3.825
  514   1HB   PHE  73          2HB       PHE  73  -1.408  -1.206  -1.600
  515   2HB   PHE  73          1HB       PHE  73  -1.211  -2.350  -2.928
  516    HD1  PHE  73           1HD      PHE  73  -0.186  -1.670  -4.898
  517    HD2  PHE  73           2HD      PHE  73  -1.677   1.259  -2.198
  518    HE1  PHE  73           1HE      PHE  73   0.879   0.097  -6.239
  519    HE2  PHE  73           2HE      PHE  73  -0.609   3.033  -3.528
  520    HZ   PHE  73           HZ       PHE  73   0.670   2.449  -5.550
  521    H    HIS  74           H        HIS  74  -4.708  -3.033  -4.038
  522    HA   HIS  74           HA       HIS  74  -4.958  -4.799  -1.697
  523   1HB   HIS  74          2HB       HIS  74  -6.713  -4.355  -4.114
  524   2HB   HIS  74          1HB       HIS  74  -6.935  -5.722  -3.035
  525    HD1  HIS  74           1HD      HIS  74  -9.346  -4.499  -2.866
  526    HD2  HIS  74           2HD      HIS  74  -6.153  -2.612  -0.971
  527    HE1  HIS  74           1HE      HIS  74 -10.370  -2.939  -1.185
  528    HE2  HIS  74           2HE      HIS  74  -8.412  -2.122   0.177
  529    H    VAL  75           H        VAL  75  -3.600  -6.490  -1.773
  530    HA   VAL  75           HA       VAL  75  -2.934  -7.501  -4.435
  531    HB   VAL  75           HB       VAL  75  -0.913  -8.407  -3.628
  532   1HG1  VAL  75          1HG1      VAL  75  -1.212  -5.805  -2.146
  533   2HG1  VAL  75          2HG1      VAL  75  -0.920  -5.957  -3.879
  534   3HG1  VAL  75          3HG1      VAL  75   0.288  -6.540  -2.730
  535   1HG2  VAL  75          1HG2      VAL  75  -0.261  -8.425  -1.250
  536   2HG2  VAL  75          2HG2      VAL  75  -1.645  -9.458  -1.609
  537   3HG2  VAL  75          3HG2      VAL  75  -1.894  -7.890  -0.837
  538    H    THR  76           H        THR  76  -3.892  -9.215  -5.071
  539    HA   THR  76           HA       THR  76  -5.069 -11.034  -3.094
  540    HB   THR  76           HB       THR  76  -5.541 -10.988  -6.095
  541    HG1  THR  76           1HG      THR  76  -6.893  -9.373  -5.825
  542   1HG2  THR  76          1HG2      THR  76  -7.158 -12.125  -3.815
  543   2HG2  THR  76          2HG2      THR  76  -6.185 -13.051  -4.956
  544   3HG2  THR  76          3HG2      THR  76  -7.606 -12.172  -5.520
  545    H    VAL  77           H        VAL  77  -3.501 -12.470  -2.575
  546    HA   VAL  77           HA       VAL  77  -2.449 -14.212  -4.602
  547    HB   VAL  77           HB       VAL  77  -0.810 -12.487  -4.882
  548   1HG1  VAL  77          1HG1      VAL  77   0.540 -11.605  -3.036
  549   2HG1  VAL  77          2HG1      VAL  77  -0.434 -12.528  -1.889
  550   3HG1  VAL  77          3HG1      VAL  77  -1.173 -11.234  -2.835
  551   1HG2  VAL  77          1HG2      VAL  77   1.258 -13.626  -4.192
  552   2HG2  VAL  77          2HG2      VAL  77   0.083 -14.742  -4.882
  553   3HG2  VAL  77          3HG2      VAL  77   0.314 -14.677  -3.134
  554    H    LYS  78           H        LYS  78  -2.611 -16.187  -3.702
  555    HA   LYS  78           HA       LYS  78  -1.926 -16.370  -0.874
  556   1HB   LYS  78          2HB       LYS  78  -3.606 -17.826  -0.395
  557   2HB   LYS  78          1HB       LYS  78  -4.383 -16.853  -1.623
  558   1HG   LYS  78          2HG       LYS  78  -3.054 -19.459  -2.280
  559   2HG   LYS  78          1HG       LYS  78  -4.709 -19.379  -1.684
  560   1HD   LYS  78          2HD       LYS  78  -5.242 -17.868  -3.610
  561   2HD   LYS  78          1HD       LYS  78  -3.613 -18.177  -4.238
  562   1HE   LYS  78          2HE       LYS  78  -4.073 -20.526  -4.423
  563   2HE   LYS  78          1HE       LYS  78  -5.623 -20.340  -3.606
  564   1HZ   LYS  78          1HZ       LYS  78  -5.929 -20.555  -5.972
  565   2HZ   LYS  78          2HZ       LYS  78  -4.909 -19.239  -6.267
  566   3HZ   LYS  78          3HZ       LYS  78  -6.388 -18.998  -5.476
  567    H    ALA  79           H        ALA  79   0.049 -16.993  -0.820
  568    HA   ALA  79           HA       ALA  79   0.775 -19.632  -1.605
  569   1HB   ALA  79          1HB       ALA  79   1.090 -18.542  -3.769
  570   2HB   ALA  79          2HB       ALA  79   2.643 -19.025  -3.084
  571   3HB   ALA  79          3HB       ALA  79   2.137 -17.335  -3.019
  572    H    ALA  80           H        ALA  80   2.584 -20.345  -0.490
  573    HA   ALA  80           HA       ALA  80   3.217 -18.930   1.872
  574   1HB   ALA  80          1HB       ALA  80   3.260 -21.370   1.729
  575   2HB   ALA  80          2HB       ALA  80   4.794 -20.725   2.317
  576   3HB   ALA  80          3HB       ALA  80   4.651 -21.279   0.648
  577    H    GLY  81           H        GLY  81   4.072 -16.967   1.492
  578   1HA   GLY  81          2HA       GLY  81   6.906 -16.866   1.014
  579   2HA   GLY  81          1HA       GLY  81   5.964 -16.113  -0.271
  580    H    THR  82           H        THR  82   7.673 -14.553   1.238
  581    HA   THR  82           HA       THR  82   5.880 -13.252   3.159
  582    HB   THR  82           HB       THR  82   8.752 -12.446   2.804
  583    HG1  THR  82           1HG      THR  82   9.336 -14.389   3.419
  584   1HG2  THR  82          1HG2      THR  82   6.851 -12.560   5.152
  585   2HG2  THR  82          2HG2      THR  82   7.312 -11.110   4.255
  586   3HG2  THR  82          3HG2      THR  82   8.514 -11.973   5.217
  587    H    HIS  83           H        HIS  83   5.131 -11.249   2.835
  588    HA   HIS  83           HA       HIS  83   5.507 -10.151   0.133
  589   1HB   HIS  83          2HB       HIS  83   3.183 -10.937   1.067
  590   2HB   HIS  83          1HB       HIS  83   3.255  -9.463   2.016
  591    HD1  HIS  83           1HD      HIS  83   3.690  -7.217   0.460
  592    HD2  HIS  83           2HD      HIS  83   1.977 -10.556  -1.323
  593    HE1  HIS  83           1HE      HIS  83   2.569  -6.352  -1.614
  594    HE2  HIS  83           2HE      HIS  83   1.667  -8.425  -2.764
  595    H    ALA  84           H        ALA  84   7.095  -8.616   0.284
  596    HA   ALA  84           HA       ALA  84   6.963  -6.724   2.522
  597   1HB   ALA  84          1HB       ALA  84   9.205  -6.017   1.804
  598   2HB   ALA  84          2HB       ALA  84   9.124  -7.151   0.455
  599   3HB   ALA  84          3HB       ALA  84   9.139  -7.752   2.111
  600    H    VAL  85           H        VAL  85   5.892  -4.915   2.219
  601    HA   VAL  85           HA       VAL  85   5.327  -4.117  -0.560
  602    HB   VAL  85           HB       VAL  85   3.772  -3.121   1.793
  603   1HG1  VAL  85          1HG1      VAL  85   3.373  -2.108  -0.373
  604   2HG1  VAL  85          2HG1      VAL  85   1.964  -3.035   0.141
  605   3HG1  VAL  85          3HG1      VAL  85   3.057  -3.691  -1.079
  606   1HG2  VAL  85          1HG2      VAL  85   3.880  -5.543   2.084
  607   2HG2  VAL  85          2HG2      VAL  85   3.314  -5.768   0.426
  608   3HG2  VAL  85          3HG2      VAL  85   2.257  -5.023   1.624
  609    H    ASN  86           H        ASN  86   6.848  -2.651  -1.092
  610    HA   ASN  86           HA       ASN  86   7.147  -0.304   0.663
  611   1HB   ASN  86          2HB       ASN  86   8.849  -1.302  -1.636
  612   2HB   ASN  86          1HB       ASN  86   9.046   0.292  -0.924
  613   1HD2  ASN  86          1HD2      ASN  86   8.290  -2.643   0.849
  614   2HD2  ASN  86          2HD2      ASN  86   9.787  -2.728   1.706
  615    H    LEU  87           H        LEU  87   5.562   1.059   0.221
  616    HA   LEU  87           HA       LEU  87   4.869   1.555  -2.593
  617   1HB   LEU  87          2HB       LEU  87   3.285   2.122  -0.081
  618   2HB   LEU  87          1HB       LEU  87   2.765   2.485  -1.719
  619    HG   LEU  87           HG       LEU  87   3.356  -0.318  -0.758
  620   1HD1  LEU  87          1HD1      LEU  87   0.923  -0.606  -0.684
  621   2HD1  LEU  87          2HD1      LEU  87   0.712   1.116  -1.010
  622   3HD1  LEU  87          3HD1      LEU  87   1.475   0.588   0.493
  623   1HD2  LEU  87          1HD2      LEU  87   2.197  -0.951  -2.779
  624   2HD2  LEU  87          2HD2      LEU  87   3.564   0.101  -3.157
  625   3HD2  LEU  87          3HD2      LEU  87   1.921   0.745  -3.179
  626    H    THR  88           H        THR  88   5.375   3.472  -3.453
  627    HA   THR  88           HA       THR  88   6.752   5.318  -1.641
  628    HB   THR  88           HB       THR  88   7.157   5.142  -4.624
  629    HG1  THR  88           1HG      THR  88   7.810   3.171  -4.161
  630   1HG2  THR  88          1HG2      THR  88   8.096   7.090  -3.416
  631   2HG2  THR  88          2HG2      THR  88   9.362   6.041  -4.053
  632   3HG2  THR  88          3HG2      THR  88   8.955   5.989  -2.337
  633    H    TYR  89           H        TYR  89   5.862   7.189  -1.262
  634    HA   TYR  89           HA       TYR  89   3.668   8.198  -2.883
  635   1HB   TYR  89          2HB       TYR  89   3.748   8.118  -0.302
  636   2HB   TYR  89          1HB       TYR  89   4.855   9.478  -0.414
  637    HD1  TYR  89           1HD      TYR  89   1.413   8.374  -1.157
  638    HD2  TYR  89           2HD      TYR  89   4.023  11.690  -0.736
  639    HE1  TYR  89           1HE      TYR  89  -0.522   9.882  -1.196
  640    HE2  TYR  89           2HE      TYR  89   2.091  13.212  -0.786
  641    HH   TYR  89           HH       TYR  89  -1.178  12.040  -0.621
  642    H    MET  90           H        MET  90   4.838   8.794  -4.773
  643    HA   MET  90           HA       MET  90   6.583  11.171  -4.423
  644   1HB   MET  90          2HB       MET  90   6.849   9.406  -6.823
  645   2HB   MET  90          1HB       MET  90   8.004  10.537  -6.148
  646   1HG   MET  90          2HG       MET  90   8.473   9.038  -4.319
  647   2HG   MET  90          1HG       MET  90   7.267   7.898  -4.923
  648   1HE   MET  90          1HE       MET  90   7.493   6.544  -7.186
  649   2HE   MET  90          2HE       MET  90   8.825   6.766  -8.325
  650   3HE   MET  90          3HE       MET  90   7.666   8.074  -8.058
  651    H    ARG  91           H        ARG  91   6.654  12.558  -6.352
  652    HA   ARG  91           HA       ARG  91   4.058  12.873  -7.576
  653   1HB   ARG  91          2HB       ARG  91   6.359  14.493  -7.164
  654   2HB   ARG  91          1HB       ARG  91   6.178  14.304  -8.906
  655   1HG   ARG  91          2HG       ARG  91   3.836  15.098  -8.725
  656   2HG   ARG  91          1HG       ARG  91   4.108  15.371  -7.006
  657   1HD   ARG  91          2HD       ARG  91   5.774  17.014  -7.444
  658   2HD   ARG  91          1HD       ARG  91   5.776  16.633  -9.165
  659    HE   ARG  91           HE       ARG  91   3.197  17.470  -8.300
  660   1HH1  ARG  91          1HH1      ARG  91   6.392  18.707  -9.035
  661   2HH1  ARG  91          2HH1      ARG  91   5.797  20.236  -9.610
  662   1HH2  ARG  91          1HH2      ARG  91   2.420  19.478  -9.038
  663   2HH2  ARG  91          2HH2      ARG  91   3.547  20.675  -9.623
  664    HA   PRO  92           HA       PRO  92   4.904   9.420 -10.201
  665   1HB   PRO  92          2HB       PRO  92   3.008  10.165 -12.165
  666   2HB   PRO  92          1HB       PRO  92   2.764   9.076 -10.800
  667   1HG   PRO  92          2HG       PRO  92   2.107  11.968 -11.061
  668   2HG   PRO  92          1HG       PRO  92   1.247  10.695 -10.174
  669   1HD   PRO  92          2HD       PRO  92   2.715  12.517  -8.897
  670   2HD   PRO  92          1HD       PRO  92   2.703  10.822  -8.362
  671    H    TRP  93           H        TRP  93   4.890  12.665 -11.634
  672    HA   TRP  93           HA       TRP  93   6.254  11.622 -13.996
  673   1HB   TRP  93          2HB       TRP  93   5.898  13.946 -14.891
  674   2HB   TRP  93          1HB       TRP  93   4.428  13.049 -14.525
  675    HD1  TRP  93           HD       TRP  93   6.447  16.081 -13.377
  676    HE1  TRP  93           1HE      TRP  93   4.993  17.500 -11.799
  677    HE3  TRP  93           3HE      TRP  93   2.493  12.895 -12.867
  678    HZ2  TRP  93           2HZ      TRP  93   2.482  17.279 -10.499
  679    HZ3  TRP  93           3HZ      TRP  93   0.613  13.561 -11.439
  680    HH2  TRP  93           HH       TRP  93   0.602  15.714 -10.280
  681    H    THR  94           H        THR  94   7.408  12.330 -11.129
  682    HA   THR  94           HA       THR  94   9.984  12.942 -12.128
  683    HB   THR  94           HB       THR  94   9.230  15.202 -12.354
  684    HG1  THR  94           1HG      THR  94  11.284  14.552 -10.981
  685   1HG2  THR  94          1HG2      THR  94   8.368  16.522 -10.468
  686   2HG2  THR  94          2HG2      THR  94   8.363  15.073  -9.462
  687   3HG2  THR  94          3HG2      THR  94   7.301  15.175 -10.867
  688    H    GLY  95           H        GLY  95   7.985  13.223  -9.192
  689   1HA   GLY  95          2HA       GLY  95   8.387  12.628  -6.995
  690   2HA   GLY  95          1HA       GLY  95   9.175  11.225  -7.722
  691    HA   PRO  96           HA       PRO  96  12.387  15.006  -6.748
  692   1HB   PRO  96          2HB       PRO  96  10.857  15.345  -4.195
  693   2HB   PRO  96          1HB       PRO  96  11.826  16.516  -5.083
  694   1HG   PRO  96          2HG       PRO  96   9.157  16.526  -5.218
  695   2HG   PRO  96          1HG       PRO  96  10.171  16.965  -6.602
  696   1HD   PRO  96          2HD       PRO  96   8.529  14.563  -6.167
  697   2HD   PRO  96          1HD       PRO  96   9.127  15.262  -7.683
  698    H    SER  97           H        SER  97  13.895  13.452  -6.488
  699    HA   SER  97           HA       SER  97  13.636  11.116  -5.036
  700   1HB   SER  97          2HB       SER  97  16.214  12.550  -5.710
  701   2HB   SER  97          1HB       SER  97  16.033  10.831  -5.354
  702    HG   SER  97           HG       SER  97  15.937  10.843  -7.505
  703    H    HIS  98           H        HIS  98  13.650  10.650  -2.984
  704    HA   HIS  98           HA       HIS  98  14.183  10.602  -0.786
  705   1HB   HIS  98          2HB       HIS  98  16.499  11.184  -1.419
  706   2HB   HIS  98          1HB       HIS  98  16.080  12.890  -1.362
  707    HD1  HIS  98           1HD      HIS  98  16.711  13.999   0.758
  708    HD2  HIS  98           2HD      HIS  98  16.002   9.931   1.282
  709    HE1  HIS  98           1HE      HIS  98  17.191  13.530   3.181
  710    HE2  HIS  98           2HE      HIS  98  16.871  11.043   3.451
  711    H    ASP  99           H        ASP  99  12.610  13.034  -2.387
  712    HA   ASP  99           HA       ASP  99  11.959  14.515   0.078
  713   1HB   ASP  99          2HB       ASP  99  12.429  15.770  -2.065
  714   2HB   ASP  99          1HB       ASP  99  10.971  15.033  -2.743
  715    H    SER 100           H        SER 100  10.819  12.256  -2.207
  716    HA   SER 100           HA       SER 100   8.070  12.254  -1.594
  717   1HB   SER 100          2HB       SER 100   9.766   9.982  -2.632
  718   2HB   SER 100          1HB       SER 100   8.034  10.221  -2.876
  719    HG   SER 100           HG       SER 100  10.188  11.386  -4.163
  720    H    GLU 101           H        GLU 101   6.900  10.614  -0.437
  721    HA   GLU 101           HA       GLU 101   8.348   9.596   1.903
  722   1HB   GLU 101          2HB       GLU 101   6.283  10.914   2.287
  723   2HB   GLU 101          1HB       GLU 101   5.369   9.748   1.342
  724   1HG   GLU 101          2HG       GLU 101   5.052   9.414   3.736
  725   2HG   GLU 101          1HG       GLU 101   5.828   8.020   2.986
  726    H    ARG 102           H        ARG 102   7.864   7.305   2.558
  727    HA   ARG 102           HA       ARG 102   6.770   5.627   0.464
  728   1HB   ARG 102          2HB       ARG 102   9.313   5.913   0.091
  729   2HB   ARG 102          1HB       ARG 102   9.505   4.923   1.532
  730   1HG   ARG 102          2HG       ARG 102   8.262   3.114   0.468
  731   2HG   ARG 102          1HG       ARG 102   8.034   4.109  -0.969
  732   1HD   ARG 102          2HD       ARG 102  10.637   4.259  -0.933
  733   2HD   ARG 102          1HD       ARG 102  10.520   2.811   0.067
  734    HE   ARG 102           HE       ARG 102   9.017   2.720  -2.421
  735   1HH1  ARG 102          1HH1      ARG 102  12.029   1.911  -0.796
  736   2HH1  ARG 102          2HH1      ARG 102  12.548   0.828  -2.052
  737   1HH2  ARG 102          1HH2      ARG 102   9.705   1.295  -4.046
  738   2HH2  ARG 102          2HH2      ARG 102  11.235   0.476  -3.900
  739    H    PHE 103           H        PHE 103   5.908   3.817   1.171
  740    HA   PHE 103           HA       PHE 103   5.778   3.427   4.072
  741   1HB   PHE 103          2HB       PHE 103   3.584   3.704   3.412
  742   2HB   PHE 103          1HB       PHE 103   3.895   3.106   1.787
  743    HD1  PHE 103           1HD      PHE 103   2.994   2.253   5.191
  744    HD2  PHE 103           2HD      PHE 103   3.838   0.744   1.314
  745    HE1  PHE 103           1HE      PHE 103   1.969   0.115   5.808
  746    HE2  PHE 103           2HE      PHE 103   2.810  -1.399   1.921
  747    HZ   PHE 103           HZ       PHE 103   1.975  -1.755   4.171
  748    H    THR 104           H        THR 104   5.791   1.180   4.865
  749    HA   THR 104           HA       THR 104   6.617  -0.873   3.021
  750    HB   THR 104           HB       THR 104   8.539   0.147   5.129
  751    HG1  THR 104           1HG      THR 104   8.275   0.702   2.540
  752   1HG2  THR 104          1HG2      THR 104   8.526  -2.276   5.145
  753   2HG2  THR 104          2HG2      THR 104  10.018  -1.681   4.410
  754   3HG2  THR 104          3HG2      THR 104   8.722  -2.312   3.392
  755    H    VAL 105           H        VAL 105   4.909  -2.181   3.771
  756    HA   VAL 105           HA       VAL 105   5.245  -3.017   6.568
  757    HB   VAL 105           HB       VAL 105   2.927  -2.450   5.851
  758   1HG1  VAL 105          1HG1      VAL 105   1.699  -4.029   4.444
  759   2HG1  VAL 105          2HG1      VAL 105   3.195  -4.911   4.132
  760   3HG1  VAL 105          3HG1      VAL 105   3.012  -3.254   3.557
  761   1HG2  VAL 105          1HG2      VAL 105   3.319  -5.338   6.609
  762   2HG2  VAL 105          2HG2      VAL 105   1.892  -4.349   6.922
  763   3HG2  VAL 105          3HG2      VAL 105   3.418  -3.977   7.720
  764    H    TYR 106           H        TYR 106   5.996  -4.946   7.077
  765    HA   TYR 106           HA       TYR 106   6.626  -6.811   4.907
  766   1HB   TYR 106          2HB       TYR 106   7.709  -6.581   7.716
  767   2HB   TYR 106          1HB       TYR 106   8.090  -7.898   6.618
  768    HD1  TYR 106           1HD      TYR 106   9.257  -7.336   4.436
  769    HD2  TYR 106           2HD      TYR 106   8.925  -4.579   7.654
  770    HE1  TYR 106           1HE      TYR 106  11.121  -6.034   3.503
  771    HE2  TYR 106           2HE      TYR 106  10.784  -3.265   6.728
  772    HH   TYR 106           HH       TYR 106  12.025  -3.833   3.560
  773    H    LEU 107           H        LEU 107   4.953  -8.131   4.638
  774    HA   LEU 107           HA       LEU 107   3.787  -9.341   7.055
  775   1HB   LEU 107          2HB       LEU 107   1.635  -9.346   6.005
  776   2HB   LEU 107          1HB       LEU 107   2.277  -7.719   5.929
  777    HG   LEU 107           HG       LEU 107   3.102  -8.786   3.535
  778   1HD1  LEU 107          1HD1      LEU 107   1.768 -10.785   3.842
  779   2HD1  LEU 107          2HD1      LEU 107   1.109  -9.797   2.538
  780   3HD1  LEU 107          3HD1      LEU 107   0.329  -9.804   4.120
  781   1HD2  LEU 107          1HD2      LEU 107   0.590  -7.247   4.144
  782   2HD2  LEU 107          2HD2      LEU 107   1.367  -7.371   2.565
  783   3HD2  LEU 107          3HD2      LEU 107   2.199  -6.567   3.897
  784    H    LYS 108           H        LYS 108   3.295 -11.573   6.895
  785    HA   LYS 108           HA       LYS 108   4.707 -12.868   4.670
  786   1HB   LYS 108          2HB       LYS 108   5.492 -13.458   6.908
  787   2HB   LYS 108          1HB       LYS 108   3.877 -13.978   7.344
  788   1HG   LYS 108          2HG       LYS 108   4.048 -15.931   6.266
  789   2HG   LYS 108          1HG       LYS 108   4.993 -15.234   4.945
  790   1HD   LYS 108          2HD       LYS 108   6.967 -15.187   6.422
  791   2HD   LYS 108          1HD       LYS 108   6.007 -15.899   7.719
  792   1HE   LYS 108          2HE       LYS 108   5.648 -17.898   6.372
  793   2HE   LYS 108          1HE       LYS 108   6.574 -17.183   5.052
  794   1HZ   LYS 108          1HZ       LYS 108   8.525 -17.151   6.459
  795   2HZ   LYS 108          2HZ       LYS 108   7.903 -18.728   6.370
  796   3HZ   LYS 108          3HZ       LYS 108   7.638 -17.788   7.759
  797    H    ALA 109           H        ALA 109   3.560 -13.747   3.104
  798    HA   ALA 109           HA       ALA 109   0.663 -13.928   3.520
  799   1HB   ALA 109          1HB       ALA 109   2.223 -13.627   0.954
  800   2HB   ALA 109          2HB       ALA 109   1.393 -12.331   1.818
  801   3HB   ALA 109          3HB       ALA 109   0.464 -13.647   1.102
  802    H    ASN 110           H        ASN 110  -0.500 -15.628   2.561
  803    HA   ASN 110           HA       ASN 110   0.469 -17.865   1.286
  804   1HB   ASN 110          2HB       ASN 110   0.497 -19.524   3.160
  805   2HB   ASN 110          1HB       ASN 110   1.813 -18.360   3.251
  806   1HD2  ASN 110          1HD2      ASN 110   1.689 -16.679   4.814
  807   2HD2  ASN 110          2HD2      ASN 110   0.721 -16.873   6.238
  Start of MODEL   14
    1    H    HIS   3           H        HIS   3  -6.814  -9.468   4.274
    2    HA   HIS   3           HA       HIS   3  -5.767  -8.794   6.894
    3   1HB   HIS   3          2HB       HIS   3  -4.001 -10.268   6.319
    4   2HB   HIS   3          1HB       HIS   3  -4.116  -9.836   4.608
    5    HD1  HIS   3           1HD      HIS   3  -3.469  -7.778   7.743
    6    HD2  HIS   3           2HD      HIS   3  -1.891  -8.478   3.953
    7    HE1  HIS   3           1HE      HIS   3  -1.650  -6.080   7.450
    8    HE2  HIS   3           2HE      HIS   3  -0.823  -6.403   5.087
    9    H    LYS   4           H        LYS   4  -5.127  -6.637   7.022
   10    HA   LYS   4           HA       LYS   4  -5.239  -5.025   4.580
   11   1HB   LYS   4          2HB       LYS   4  -7.484  -5.056   5.563
   12   2HB   LYS   4          1HB       LYS   4  -6.828  -4.482   7.090
   13   1HG   LYS   4          2HG       LYS   4  -6.208  -2.386   6.098
   14   2HG   LYS   4          1HG       LYS   4  -6.702  -2.954   4.499
   15   1HD   LYS   4          2HD       LYS   4  -9.012  -3.248   5.400
   16   2HD   LYS   4          1HD       LYS   4  -8.469  -2.484   6.897
   17   1HE   LYS   4          2HE       LYS   4  -7.965  -0.447   5.741
   18   2HE   LYS   4          1HE       LYS   4  -8.284  -1.201   4.180
   19   1HZ   LYS   4          1HZ       LYS   4 -10.285  -0.731   6.325
   20   2HZ   LYS   4          2HZ       LYS   4 -10.596  -1.490   4.838
   21   3HZ   LYS   4          3HZ       LYS   4 -10.145   0.147   4.878
   22    H    VAL   5           H        VAL   5  -3.611  -3.573   4.519
   23    HA   VAL   5           HA       VAL   5  -2.337  -2.844   7.063
   24    HB   VAL   5           HB       VAL   5  -1.188  -3.206   4.335
   25   1HG1  VAL   5          1HG1      VAL   5  -0.183  -1.075   6.196
   26   2HG1  VAL   5          2HG1      VAL   5  -0.757  -0.859   4.542
   27   3HG1  VAL   5          3HG1      VAL   5   0.730  -1.758   4.851
   28   1HG2  VAL   5          1HG2      VAL   5  -0.812  -4.752   6.207
   29   2HG2  VAL   5          2HG2      VAL   5  -0.044  -3.440   7.110
   30   3HG2  VAL   5          3HG2      VAL   5   0.683  -4.026   5.615
   31    H    THR   6           H        THR   6  -1.558  -0.626   7.249
   32    HA   THR   6           HA       THR   6  -3.210   1.416   6.015
   33    HB   THR   6           HB       THR   6  -3.594   2.215   8.513
   34    HG1  THR   6           1HG      THR   6  -4.182  -0.045   9.542
   35   1HG2  THR   6          1HG2      THR   6  -5.804   1.147   8.479
   36   2HG2  THR   6          2HG2      THR   6  -5.258   0.053   7.206
   37   3HG2  THR   6          3HG2      THR   6  -5.378   1.784   6.889
   38    H    LYS   7           H        LYS   7  -2.507   3.638   7.058
   39    HA   LYS   7           HA       LYS   7   0.103   4.090   6.357
   40   1HB   LYS   7          2HB       LYS   7  -1.591   5.852   6.682
   41   2HB   LYS   7          1HB       LYS   7  -1.401   5.685   8.425
   42   1HG   LYS   7          2HG       LYS   7  -0.124   7.574   7.343
   43   2HG   LYS   7          1HG       LYS   7   0.820   6.481   8.361
   44   1HD   LYS   7          2HD       LYS   7   1.521   5.251   6.350
   45   2HD   LYS   7          1HD       LYS   7   0.632   6.390   5.344
   46   1HE   LYS   7          2HE       LYS   7   3.005   6.979   7.125
   47   2HE   LYS   7          1HE       LYS   7   2.990   6.961   5.366
   48   1HZ   LYS   7          1HZ       LYS   7   1.389   8.837   5.470
   49   2HZ   LYS   7          2HZ       LYS   7   2.918   9.201   6.089
   50   3HZ   LYS   7          3HZ       LYS   7   1.624   8.906   7.148
   51    H    ALA   8           H        ALA   8  -1.032   3.414   9.696
   52    HA   ALA   8           HA       ALA   8   1.408   3.840  11.011
   53   1HB   ALA   8          1HB       ALA   8  -0.723   1.814  11.694
   54   2HB   ALA   8          2HB       ALA   8  -0.708   3.506  12.189
   55   3HB   ALA   8          3HB       ALA   8   0.533   2.402  12.784
   56    H    HIS   9           H        HIS   9   0.222   1.075   9.242
   57    HA   HIS   9           HA       HIS   9   2.175  -0.815   9.973
   58   1HB   HIS   9          2HB       HIS   9   0.338  -0.533   7.623
   59   2HB   HIS   9          1HB       HIS   9   1.548  -1.802   7.655
   60    HD1  HIS   9           1HD      HIS   9  -1.846  -1.018   8.755
   61    HD2  HIS   9           2HD      HIS   9   1.159  -3.670   9.873
   62    HE1  HIS   9           1HE      HIS   9  -3.014  -2.961   9.814
   63    HE2  HIS   9           2HE      HIS   9  -1.177  -4.462  10.663
   64    H    ASN  10           H        ASN  10   2.541   2.046   8.299
   65    HA   ASN  10           HA       ASN  10   4.423   1.749   6.345
   66   1HB   ASN  10          2HB       ASN  10   3.641   3.940   7.006
   67   2HB   ASN  10          1HB       ASN  10   4.321   3.754   8.619
   68   1HD2  ASN  10          1HD2      ASN  10   5.981   2.938   5.617
   69   2HD2  ASN  10          2HD2      ASN  10   7.183   4.171   5.741
   70    H    GLY  11           H        GLY  11   4.691   0.888   9.672
   71   1HA   GLY  11          2HA       GLY  11   7.475   0.035   9.196
   72   2HA   GLY  11          1HA       GLY  11   7.083   0.913  10.669
   73    H    ALA  12           H        ALA  12   5.600  -1.774   8.843
   74    HA   ALA  12           HA       ALA  12   5.313  -3.189  11.424
   75   1HB   ALA  12          1HB       ALA  12   3.290  -4.195  10.489
   76   2HB   ALA  12          2HB       ALA  12   3.540  -3.283   8.996
   77   3HB   ALA  12          3HB       ALA  12   3.201  -2.433  10.504
   78    H    THR  13           H        THR  13   5.780  -5.325  11.590
   79    HA   THR  13           HA       THR  13   6.340  -6.892   9.172
   80    HB   THR  13           HB       THR  13   8.125  -6.933  11.619
   81    HG1  THR  13           1HG      THR  13   8.117  -5.271   9.526
   82   1HG2  THR  13          1HG2      THR  13   7.975  -9.094  10.489
   83   2HG2  THR  13          2HG2      THR  13   9.564  -8.371  10.237
   84   3HG2  THR  13          3HG2      THR  13   8.358  -8.330   8.948
   85    H    LEU  14           H        LEU  14   4.885  -8.534   9.257
   86    HA   LEU  14           HA       LEU  14   4.520 -10.210  11.518
   87   1HB   LEU  14          2HB       LEU  14   2.290  -9.632  12.179
   88   2HB   LEU  14          1HB       LEU  14   3.337  -8.241  12.344
   89    HG   LEU  14           HG       LEU  14   2.345  -7.675   9.943
   90   1HD1  LEU  14          1HD1      LEU  14   0.127  -9.208  11.273
   91   2HD1  LEU  14          2HD1      LEU  14   1.052  -9.772   9.885
   92   3HD1  LEU  14          3HD1      LEU  14   0.044  -8.330   9.744
   93   1HD2  LEU  14          1HD2      LEU  14   0.909  -7.205  12.554
   94   2HD2  LEU  14          2HD2      LEU  14   0.690  -6.272  11.073
   95   3HD2  LEU  14          3HD2      LEU  14   2.241  -6.242  11.915
   96    H    THR  15           H        THR  15   2.459 -11.695  11.132
   97    HA   THR  15           HA       THR  15   2.740 -12.538   8.335
   98    HB   THR  15           HB       THR  15   1.826 -14.023  10.799
   99    HG1  THR  15           1HG      THR  15   4.211 -13.691   9.592
  100   1HG2  THR  15          1HG2      THR  15   0.505 -14.687   8.796
  101   2HG2  THR  15          2HG2      THR  15   1.513 -15.988   9.439
  102   3HG2  THR  15          3HG2      THR  15   2.017 -15.117   7.991
  103    H    VAL  16           H        VAL  16   1.015 -12.969   7.008
  104    HA   VAL  16           HA       VAL  16  -1.615 -12.004   7.950
  105    HB   VAL  16           HB       VAL  16  -2.047 -11.063   5.825
  106   1HG1  VAL  16          1HG1      VAL  16   0.811 -10.473   6.558
  107   2HG1  VAL  16          2HG1      VAL  16  -0.624  -9.715   7.246
  108   3HG1  VAL  16          3HG1      VAL  16  -0.221  -9.458   5.549
  109   1HG2  VAL  16          1HG2      VAL  16  -0.561 -11.234   3.904
  110   2HG2  VAL  16          2HG2      VAL  16  -1.160 -12.816   4.408
  111   3HG2  VAL  16          3HG2      VAL  16   0.487 -12.324   4.815
  112    H    ALA  17           H        ALA  17  -3.490 -12.960   6.943
  113    HA   ALA  17           HA       ALA  17  -3.036 -15.664   5.879
  114   1HB   ALA  17          1HB       ALA  17  -5.500 -14.348   7.023
  115   2HB   ALA  17          2HB       ALA  17  -4.507 -15.583   7.799
  116   3HB   ALA  17          3HB       ALA  17  -5.453 -15.984   6.364
  117    H    VAL  18           H        VAL  18  -3.663 -16.163   3.799
  118    HA   VAL  18           HA       VAL  18  -4.873 -13.947   2.268
  119    HB   VAL  18           HB       VAL  18  -3.580 -14.584   0.327
  120   1HG1  VAL  18          1HG1      VAL  18  -1.963 -14.128   2.823
  121   2HG1  VAL  18          2HG1      VAL  18  -2.580 -12.923   1.691
  122   3HG1  VAL  18          3HG1      VAL  18  -1.304 -14.032   1.189
  123   1HG2  VAL  18          1HG2      VAL  18  -2.287 -16.654   2.093
  124   2HG2  VAL  18          2HG2      VAL  18  -1.807 -16.253   0.443
  125   3HG2  VAL  18          3HG2      VAL  18  -3.386 -16.975   0.753
  126    H    GLY  19           H        GLY  19  -5.175 -15.239  -0.154
  127   1HA   GLY  19          2HA       GLY  19  -6.297 -17.165  -1.101
  128   2HA   GLY  19          1HA       GLY  19  -7.067 -17.422   0.463
  129    H    GLU  20           H        GLU  20  -8.205 -15.226   1.176
  130    HA   GLU  20           HA       GLU  20 -10.236 -14.714  -0.775
  131   1HB   GLU  20          2HB       GLU  20  -9.729 -13.168   1.772
  132   2HB   GLU  20          1HB       GLU  20 -11.245 -13.317   0.894
  133   1HG   GLU  20          2HG       GLU  20  -9.830 -15.529   2.363
  134   2HG   GLU  20          1HG       GLU  20 -11.246 -14.651   2.932
  135    H    LEU  21           H        LEU  21  -8.277 -12.384   1.034
  136    HA   LEU  21           HA       LEU  21  -7.068 -11.248  -1.273
  137   1HB   LEU  21          2HB       LEU  21  -9.235 -10.278  -1.650
  138   2HB   LEU  21          1HB       LEU  21  -9.355  -9.771   0.023
  139    HG   LEU  21           HG       LEU  21  -7.444  -8.209  -0.374
  140   1HD1  LEU  21          1HD1      LEU  21  -6.508  -9.410  -2.333
  141   2HD1  LEU  21          2HD1      LEU  21  -6.754  -7.687  -2.610
  142   3HD1  LEU  21          3HD1      LEU  21  -7.889  -8.858  -3.285
  143   1HD2  LEU  21          1HD2      LEU  21  -9.879  -7.844  -2.110
  144   2HD2  LEU  21          2HD2      LEU  21  -8.776  -6.566  -1.606
  145   3HD2  LEU  21          3HD2      LEU  21  -9.740  -7.424  -0.404
  146    H    VAL  22           H        VAL  22  -5.307 -10.036  -0.706
  147    HA   VAL  22           HA       VAL  22  -5.175  -9.217   2.124
  148    HB   VAL  22           HB       VAL  22  -3.169 -10.683   0.505
  149   1HG1  VAL  22          1HG1      VAL  22  -2.415  -8.293   2.173
  150   2HG1  VAL  22          2HG1      VAL  22  -1.860  -8.725   0.559
  151   3HG1  VAL  22          3HG1      VAL  22  -1.319  -9.655   1.956
  152   1HG2  VAL  22          1HG2      VAL  22  -4.294 -11.616   2.448
  153   2HG2  VAL  22          2HG2      VAL  22  -3.630 -10.334   3.460
  154   3HG2  VAL  22          3HG2      VAL  22  -2.553 -11.510   2.704
  155    H    GLU  23           H        GLU  23  -5.198  -7.051   2.355
  156    HA   GLU  23           HA       GLU  23  -4.393  -5.530  -0.026
  157   1HB   GLU  23          2HB       GLU  23  -6.086  -3.953   0.345
  158   2HB   GLU  23          1HB       GLU  23  -6.843  -5.523   0.541
  159   1HG   GLU  23          2HG       GLU  23  -6.978  -5.276   2.875
  160   2HG   GLU  23          1HG       GLU  23  -5.875  -3.899   2.869
  161    H    ILE  24           H        ILE  24  -3.341  -3.620   0.173
  162    HA   ILE  24           HA       ILE  24  -2.241  -2.905   2.819
  163    HB   ILE  24           HB       ILE  24  -0.934  -2.667   0.094
  164   1HG1  ILE  24          2HG1      ILE  24  -1.032  -5.004   0.897
  165   2HG1  ILE  24          1HG1      ILE  24   0.621  -4.397   0.832
  166   1HG2  ILE  24          1HG2      ILE  24   1.060  -1.969   1.313
  167   2HG2  ILE  24          2HG2      ILE  24   0.158  -2.040   2.827
  168   3HG2  ILE  24          3HG2      ILE  24  -0.293  -0.870   1.586
  169   1HD1  ILE  24          1HD1      ILE  24  -1.078  -4.620   3.305
  170   2HD1  ILE  24          2HD1      ILE  24   0.587  -4.041   3.235
  171   3HD1  ILE  24          3HD1      ILE  24   0.220  -5.715   2.829
  172    H    GLN  25           H        GLN  25  -3.448  -1.064   3.329
  173    HA   GLN  25           HA       GLN  25  -4.086   0.706   1.082
  174   1HB   GLN  25          2HB       GLN  25  -6.109   0.070   1.924
  175   2HB   GLN  25          1HB       GLN  25  -5.552   0.044   3.599
  176   1HG   GLN  25          2HG       GLN  25  -5.478   2.673   2.334
  177   2HG   GLN  25          1HG       GLN  25  -7.089   1.979   2.433
  178   1HE2  GLN  25          1HE2      GLN  25  -4.364   3.158   4.282
  179   2HE2  GLN  25          2HE2      GLN  25  -5.204   3.290   5.787
  180    H    LEU  26           H        LEU  26  -3.623   2.807   1.073
  181    HA   LEU  26           HA       LEU  26  -2.389   3.905   3.473
  182   1HB   LEU  26          2HB       LEU  26  -1.816   4.425   0.585
  183   2HB   LEU  26          1HB       LEU  26  -1.480   5.661   1.776
  184    HG   LEU  26           HG       LEU  26   0.541   4.497   1.315
  185   1HD1  LEU  26          1HD1      LEU  26  -0.612   3.722   3.980
  186   2HD1  LEU  26          2HD1      LEU  26   0.369   5.140   3.593
  187   3HD1  LEU  26          3HD1      LEU  26   1.088   3.526   3.552
  188   1HD2  LEU  26          1HD2      LEU  26  -0.907   1.953   2.020
  189   2HD2  LEU  26          2HD2      LEU  26   0.807   2.097   1.628
  190   3HD2  LEU  26          3HD2      LEU  26  -0.411   2.450   0.401
  191    HA   PRO  27           HA       PRO  27  -5.747   6.847   3.351
  192   1HB   PRO  27          2HB       PRO  27  -4.931   8.557   5.176
  193   2HB   PRO  27          1HB       PRO  27  -5.252   6.878   5.648
  194   1HG   PRO  27          2HG       PRO  27  -2.605   8.178   4.983
  195   2HG   PRO  27          1HG       PRO  27  -3.034   7.174   6.393
  196   1HD   PRO  27          2HD       PRO  27  -1.790   6.183   4.185
  197   2HD   PRO  27          1HD       PRO  27  -2.875   5.212   5.202
  198    H    SER  28           H        SER  28  -2.977   7.189   1.818
  199    HA   SER  28           HA       SER  28  -2.097   8.640   0.352
  200   1HB   SER  28          2HB       SER  28  -4.431   9.135  -0.319
  201   2HB   SER  28          1HB       SER  28  -4.495  10.379   0.932
  202    HG   SER  28           HG       SER  28  -2.801  10.307  -1.358
  203    H    ASN  29           H        ASN  29  -3.417  10.311   3.157
  204    HA   ASN  29           HA       ASN  29  -2.628  11.998   4.480
  205   1HB   ASN  29          2HB       ASN  29   0.193  11.471   3.673
  206   2HB   ASN  29          1HB       ASN  29  -0.450  11.872   5.252
  207   1HD2  ASN  29          1HD2      ASN  29   0.497   9.416   3.122
  208   2HD2  ASN  29          2HD2      ASN  29   0.143   8.063   4.138
  209    HA   PRO  30           HA       PRO  30  -2.311  14.125   0.321
  210   1HB   PRO  30          2HB       PRO  30  -4.160  15.982   1.742
  211   2HB   PRO  30          1HB       PRO  30  -4.271  15.312   0.108
  212   1HG   PRO  30          2HG       PRO  30  -5.828  14.334   1.994
  213   2HG   PRO  30          1HG       PRO  30  -4.999  13.223   0.881
  214   1HD   PRO  30          2HD       PRO  30  -4.265  13.958   3.694
  215   2HD   PRO  30          1HD       PRO  30  -4.327  12.353   2.928
  216    H    THR  31           H        THR  31  -0.240  14.807   0.500
  217    HA   THR  31           HA       THR  31   0.301  17.117   2.221
  218    HB   THR  31           HB       THR  31   1.792  15.406   2.779
  219    HG1  THR  31           1HG      THR  31   3.795  16.235   2.191
  220   1HG2  THR  31          1HG2      THR  31   1.399  13.862   0.982
  221   2HG2  THR  31          2HG2      THR  31   3.136  14.155   1.104
  222   3HG2  THR  31          3HG2      THR  31   2.200  14.935  -0.171
  223    H    THR  32           H        THR  32   0.593  15.963  -1.099
  224    HA   THR  32           HA       THR  32   0.359  18.477  -2.273
  225    HB   THR  32           HB       THR  32   2.574  18.941  -1.320
  226    HG1  THR  32           1HG      THR  32   3.051  19.987  -3.089
  227   1HG2  THR  32          1HG2      THR  32   4.556  17.705  -2.055
  228   2HG2  THR  32          2HG2      THR  32   3.522  16.574  -2.927
  229   3HG2  THR  32          3HG2      THR  32   3.435  16.672  -1.169
  230    H    GLY  33           H        GLY  33   2.251  17.793  -4.496
  231   1HA   GLY  33          2HA       GLY  33   0.525  16.315  -6.116
  232   2HA   GLY  33          1HA       GLY  33   2.217  16.615  -6.462
  233    H    PHE  34           H        PHE  34   3.039  15.187  -3.970
  234    HA   PHE  34           HA       PHE  34   3.547  12.645  -4.726
  235   1HB   PHE  34          2HB       PHE  34   2.760  13.421  -1.914
  236   2HB   PHE  34          1HB       PHE  34   3.714  12.022  -2.381
  237    HD1  PHE  34           1HD      PHE  34   4.484  14.175  -0.373
  238    HD2  PHE  34           2HD      PHE  34   5.256  13.713  -4.531
  239    HE1  PHE  34           1HE      PHE  34   6.539  15.499  -0.137
  240    HE2  PHE  34           2HE      PHE  34   7.313  15.035  -4.299
  241    HZ   PHE  34           HZ       PHE  34   7.947  15.925  -2.021
  242    H    ALA  35           H        ALA  35   2.534  10.789  -4.954
  243    HA   ALA  35           HA       ALA  35   0.028  10.291  -3.533
  244   1HB   ALA  35          1HB       ALA  35  -0.621  10.967  -5.810
  245   2HB   ALA  35          2HB       ALA  35  -0.962   9.257  -5.540
  246   3HB   ALA  35          3HB       ALA  35   0.449   9.736  -6.483
  247    H    TRP  36           H        TRP  36  -0.286   7.978  -3.136
  248    HA   TRP  36           HA       TRP  36   2.267   6.685  -2.836
  249   1HB   TRP  36          2HB       TRP  36  -0.489   5.665  -2.083
  250   2HB   TRP  36          1HB       TRP  36   1.029   4.824  -1.771
  251    HD1  TRP  36           HD       TRP  36  -1.056   7.768  -0.483
  252    HE1  TRP  36           1HE      TRP  36  -0.092   8.472   1.782
  253    HE3  TRP  36           3HE      TRP  36   3.185   4.928  -0.497
  254    HZ2  TRP  36           2HZ      TRP  36   2.163   7.887   3.380
  255    HZ3  TRP  36           3HZ      TRP  36   4.704   5.054   1.431
  256    HH2  TRP  36           HH       TRP  36   4.204   6.512   3.333
  257    H    TYR  37           H        TYR  37   3.209   5.627  -4.343
  258    HA   TYR  37           HA       TYR  37   1.640   3.673  -5.888
  259   1HB   TYR  37          2HB       TYR  37   3.923   5.431  -6.767
  260   2HB   TYR  37          1HB       TYR  37   3.607   3.897  -7.568
  261    HD1  TYR  37           1HD      TYR  37   2.466   7.327  -7.083
  262    HD2  TYR  37           2HD      TYR  37   1.584   3.557  -8.851
  263    HE1  TYR  37           1HE      TYR  37   0.771   8.402  -8.505
  264    HE2  TYR  37           2HE      TYR  37  -0.119   4.624 -10.281
  265    HH   TYR  37           HH       TYR  37  -0.483   8.091 -10.446
  266    H    PHE  38           H        PHE  38   3.340   1.859  -6.665
  267    HA   PHE  38           HA       PHE  38   4.885   1.022  -4.424
  268   1HB   PHE  38          2HB       PHE  38   4.405   0.037  -7.157
  269   2HB   PHE  38          1HB       PHE  38   5.971  -0.357  -6.470
  270    HD1  PHE  38           1HD      PHE  38   2.573  -1.291  -6.702
  271    HD2  PHE  38           2HD      PHE  38   5.940  -1.436  -4.104
  272    HE1  PHE  38           1HE      PHE  38   1.535  -3.160  -5.479
  273    HE2  PHE  38           2HE      PHE  38   4.906  -3.296  -2.868
  274    HZ   PHE  38           HZ       PHE  38   2.702  -4.148  -3.552
  275    H    GLU  39           H        GLU  39   6.243   1.383  -7.667
  276    HA   GLU  39           HA       GLU  39   8.454   2.918  -6.479
  277   1HB   GLU  39          2HB       GLU  39   8.451   1.308  -9.041
  278   2HB   GLU  39          1HB       GLU  39   9.841   2.092  -8.305
  279   1HG   GLU  39          2HG       GLU  39   8.272  -0.142  -7.036
  280   2HG   GLU  39          1HG       GLU  39   9.762  -0.356  -7.948
  281    H    GLY  40           H        GLY  40   5.704   3.559  -7.892
  282   1HA   GLY  40          2HA       GLY  40   5.158   5.758  -8.629
  283   2HA   GLY  40          1HA       GLY  40   6.790   5.923  -9.260
  284    H    GLY  41           H        GLY  41   3.572   5.228 -10.004
  285   1HA   GLY  41          2HA       GLY  41   2.543   4.820 -12.025
  286   2HA   GLY  41          1HA       GLY  41   4.122   4.934 -12.792
  287    H    THR  42           H        THR  42   4.350   2.784 -10.323
  288    HA   THR  42           HA       THR  42   3.735   0.470 -12.021
  289    HB   THR  42           HB       THR  42   5.761  -0.524 -10.673
  290    HG1  THR  42           1HG      THR  42   7.109   1.813 -11.042
  291   1HG2  THR  42          1HG2      THR  42   7.245   0.047 -12.571
  292   2HG2  THR  42          2HG2      THR  42   6.061   1.236 -13.114
  293   3HG2  THR  42          3HG2      THR  42   5.646  -0.477 -13.092
  294    H    LYS  43           H        LYS  43   2.796  -1.228 -11.025
  295    HA   LYS  43           HA       LYS  43   3.312  -1.528  -8.178
  296   1HB   LYS  43          2HB       LYS  43   1.020  -2.115  -7.655
  297   2HB   LYS  43          1HB       LYS  43   1.134  -0.463  -8.209
  298   1HG   LYS  43          2HG       LYS  43   0.374  -2.666 -10.092
  299   2HG   LYS  43          1HG       LYS  43  -0.817  -1.946  -9.013
  300   1HD   LYS  43          2HD       LYS  43   0.878  -0.329 -10.904
  301   2HD   LYS  43          1HD       LYS  43  -0.702  -0.976 -11.344
  302   1HE   LYS  43          2HE       LYS  43  -1.585   0.221  -9.276
  303   2HE   LYS  43          1HE       LYS  43  -0.040   1.066  -9.240
  304   1HZ   LYS  43          1HZ       LYS  43  -1.860   2.264 -10.422
  305   2HZ   LYS  43          2HZ       LYS  43  -1.833   1.046 -11.598
  306   3HZ   LYS  43          3HZ       LYS  43  -0.472   2.018 -11.363
  307    H    GLU  44           H        GLU  44   3.915  -3.495  -7.691
  308    HA   GLU  44           HA       GLU  44   2.988  -5.764  -9.292
  309   1HB   GLU  44          2HB       GLU  44   5.276  -6.676  -9.376
  310   2HB   GLU  44          1HB       GLU  44   5.165  -5.134 -10.215
  311   1HG   GLU  44          2HG       GLU  44   6.128  -4.007  -8.272
  312   2HG   GLU  44          1HG       GLU  44   6.246  -5.556  -7.435
  313    H    SER  45           H        SER  45   2.447  -7.528  -8.025
  314    HA   SER  45           HA       SER  45   3.386  -7.463  -5.243
  315   1HB   SER  45          2HB       SER  45   1.224  -9.128  -6.487
  316   2HB   SER  45          1HB       SER  45   1.561  -8.931  -4.766
  317    HG   SER  45           HG       SER  45   1.069  -6.670  -6.350
  318    HA   PRO  46           HA       PRO  46   6.302 -10.529  -6.188
  319   1HB   PRO  46          2HB       PRO  46   7.138 -10.716  -3.524
  320   2HB   PRO  46          1HB       PRO  46   7.632  -9.477  -4.679
  321   1HG   PRO  46          2HG       PRO  46   6.090  -9.086  -2.350
  322   2HG   PRO  46          1HG       PRO  46   6.353  -7.911  -3.649
  323   1HD   PRO  46          2HD       PRO  46   4.055  -9.762  -3.204
  324   2HD   PRO  46          1HD       PRO  46   4.045  -8.113  -3.847
  325    H    ASN  47           H        ASN  47   7.228 -12.586  -5.450
  326    HA   ASN  47           HA       ASN  47   7.162 -14.776  -4.821
  327   1HB   ASN  47          2HB       ASN  47   6.225 -14.046  -2.629
  328   2HB   ASN  47          1HB       ASN  47   4.613 -14.174  -3.323
  329   1HD2  ASN  47          1HD2      ASN  47   3.864 -15.796  -2.002
  330   2HD2  ASN  47          2HD2      ASN  47   4.496 -17.402  -2.047
  331    H    GLU  48           H        GLU  48   4.258 -13.283  -5.999
  332    HA   GLU  48           HA       GLU  48   3.323 -15.858  -7.051
  333   1HB   GLU  48          2HB       GLU  48   2.044 -13.595  -5.724
  334   2HB   GLU  48          1HB       GLU  48   1.219 -14.123  -7.203
  335   1HG   GLU  48          2HG       GLU  48   1.838 -15.775  -4.772
  336   2HG   GLU  48          1HG       GLU  48   0.262 -15.377  -5.469
  337    H    SER  49           H        SER  49   2.599 -16.099  -9.011
  338    HA   SER  49           HA       SER  49   2.715 -13.820 -10.836
  339   1HB   SER  49          2HB       SER  49   4.679 -15.314 -11.195
  340   2HB   SER  49          1HB       SER  49   3.574 -16.651 -11.504
  341    HG   SER  49           HG       SER  49   3.767 -14.234 -12.998
  342    H    MET  50           H        MET  50   0.976 -16.341  -9.424
  343    HA   MET  50           HA       MET  50  -0.864 -16.495 -11.659
  344   1HB   MET  50          2HB       MET  50  -1.840 -18.400 -10.745
  345   2HB   MET  50          1HB       MET  50  -0.119 -18.578 -10.498
  346   1HG   MET  50          2HG       MET  50  -0.329 -18.020  -8.172
  347   2HG   MET  50          1HG       MET  50  -2.023 -17.586  -8.393
  348   1HE   MET  50          1HE       MET  50  -2.845 -19.046  -6.430
  349   2HE   MET  50          2HE       MET  50  -1.169 -19.463  -6.062
  350   3HE   MET  50          3HE       MET  50  -2.389 -20.733  -6.185
  351    H    PHE  51           H        PHE  51  -0.624 -15.419  -8.355
  352    HA   PHE  51           HA       PHE  51  -3.208 -14.023  -8.572
  353   1HB   PHE  51          2HB       PHE  51  -2.841 -16.481  -7.243
  354   2HB   PHE  51          1HB       PHE  51  -2.803 -15.268  -5.982
  355    HD1  PHE  51           1HD      PHE  51  -4.862 -16.349  -8.868
  356    HD2  PHE  51           2HD      PHE  51  -4.776 -14.618  -4.984
  357    HE1  PHE  51           1HE      PHE  51  -7.311 -16.240  -8.874
  358    HE2  PHE  51           2HE      PHE  51  -7.238 -14.526  -4.975
  359    HZ   PHE  51           HZ       PHE  51  -8.485 -15.659  -6.643
  360    H    THR  52           H        THR  52  -1.906 -12.005  -8.411
  361    HA   THR  52           HA       THR  52  -2.251 -11.031  -5.920
  362    HB   THR  52           HB       THR  52  -0.299 -12.373  -5.281
  363    HG1  THR  52           1HG      THR  52  -0.694 -10.685  -3.955
  364   1HG2  THR  52          1HG2      THR  52   1.235 -10.478  -7.045
  365   2HG2  THR  52          2HG2      THR  52   1.070 -12.222  -7.254
  366   3HG2  THR  52          3HG2      THR  52   1.964 -11.577  -5.876
  367    H    VAL  53           H        VAL  53  -3.278  -9.451  -7.266
  368    HA   VAL  53           HA       VAL  53  -1.776  -7.104  -7.017
  369    HB   VAL  53           HB       VAL  53  -2.330  -6.346  -9.515
  370   1HG1  VAL  53          1HG1      VAL  53  -0.223  -6.015  -8.361
  371   2HG1  VAL  53          2HG1      VAL  53   0.037  -6.556 -10.021
  372   3HG1  VAL  53          3HG1      VAL  53   0.226  -7.692  -8.686
  373   1HG2  VAL  53          1HG2      VAL  53  -3.079  -8.505 -10.312
  374   2HG2  VAL  53          2HG2      VAL  53  -1.557  -9.244  -9.815
  375   3HG2  VAL  53          3HG2      VAL  53  -1.576  -8.056 -11.118
  376    H    GLU  54           H        GLU  54  -3.055  -5.360  -6.746
  377    HA   GLU  54           HA       GLU  54  -5.382  -4.904  -8.308
  378   1HB   GLU  54          2HB       GLU  54  -6.387  -6.444  -6.664
  379   2HB   GLU  54          1HB       GLU  54  -5.795  -5.426  -5.365
  380   1HG   GLU  54          2HG       GLU  54  -8.156  -5.061  -5.743
  381   2HG   GLU  54          1HG       GLU  54  -7.224  -3.608  -6.098
  382    H    ASN  55           H        ASN  55  -6.180  -2.765  -7.986
  383    HA   ASN  55           HA       ASN  55  -4.740  -1.118  -6.080
  384   1HB   ASN  55          2HB       ASN  55  -4.162   0.593  -7.823
  385   2HB   ASN  55          1HB       ASN  55  -3.191  -0.870  -7.829
  386   1HD2  ASN  55          1HD2      ASN  55  -6.437  -0.635  -9.214
  387   2HD2  ASN  55          2HD2      ASN  55  -5.928  -0.817 -10.858
  388    H    LYS  56           H        LYS  56  -5.815   0.616  -5.371
  389    HA   LYS  56           HA       LYS  56  -7.870   1.884  -6.880
  390   1HB   LYS  56          2HB       LYS  56  -9.482   1.395  -4.759
  391   2HB   LYS  56          1HB       LYS  56  -9.545   0.505  -6.271
  392   1HG   LYS  56          2HG       LYS  56  -9.435  -1.272  -4.893
  393   2HG   LYS  56          1HG       LYS  56  -7.702  -0.948  -4.966
  394   1HD   LYS  56          2HD       LYS  56  -8.538  -1.317  -2.670
  395   2HD   LYS  56          1HD       LYS  56  -7.792   0.265  -2.885
  396   1HE   LYS  56          2HE       LYS  56  -9.807   0.463  -1.590
  397   2HE   LYS  56          1HE       LYS  56 -10.012   1.264  -3.143
  398   1HZ   LYS  56          1HZ       LYS  56 -11.188  -0.738  -3.934
  399   2HZ   LYS  56          2HZ       LYS  56 -11.977   0.010  -2.634
  400   3HZ   LYS  56          3HZ       LYS  56 -11.080  -1.405  -2.378
  401    H    TYR  57           H        TYR  57  -7.154   3.854  -6.541
  402    HA   TYR  57           HA       TYR  57  -6.729   4.714  -3.763
  403   1HB   TYR  57          2HB       TYR  57  -5.098   6.400  -5.131
  404   2HB   TYR  57          1HB       TYR  57  -4.570   4.938  -4.312
  405    HD1  TYR  57           1HD      TYR  57  -5.834   6.103  -7.620
  406    HD2  TYR  57           2HD      TYR  57  -3.346   3.364  -5.515
  407    HE1  TYR  57           1HE      TYR  57  -4.974   5.243  -9.760
  408    HE2  TYR  57           2HE      TYR  57  -2.483   2.500  -7.647
  409    HH   TYR  57           HH       TYR  57  -2.877   2.423  -9.895
  410    H    PHE  58           H        PHE  58  -7.865   6.367  -3.122
  411    HA   PHE  58           HA       PHE  58  -9.039   8.196  -5.100
  412   1HB   PHE  58          2HB       PHE  58 -10.464   6.696  -2.898
  413   2HB   PHE  58          1HB       PHE  58 -11.156   8.101  -3.710
  414    HD1  PHE  58           1HD      PHE  58 -10.158   4.597  -4.117
  415    HD2  PHE  58           2HD      PHE  58 -11.980   7.972  -5.951
  416    HE1  PHE  58           1HE      PHE  58 -11.023   3.153  -5.911
  417    HE2  PHE  58           2HE      PHE  58 -12.850   6.536  -7.746
  418    HZ   PHE  58           HZ       PHE  58 -12.373   4.122  -7.728
  419    HA   PRO  59           HA       PRO  59  -7.332  11.087  -2.052
  420   1HB   PRO  59          2HB       PRO  59  -8.433  12.987  -4.051
  421   2HB   PRO  59          1HB       PRO  59  -6.805  12.887  -3.365
  422   1HG   PRO  59          2HG       PRO  59  -7.249  12.123  -5.872
  423   2HG   PRO  59          1HG       PRO  59  -6.157  11.192  -4.825
  424   1HD   PRO  59          2HD       PRO  59  -9.017  10.628  -5.548
  425   2HD   PRO  59          1HD       PRO  59  -7.629   9.516  -5.514
  426    HA   PRO  60           HA       PRO  60 -10.634  12.437   0.486
  427   1HB   PRO  60          2HB       PRO  60  -9.863  15.259  -0.090
  428   2HB   PRO  60          1HB       PRO  60 -10.167  14.467   1.460
  429   1HG   PRO  60          2HG       PRO  60  -7.683  14.906   0.686
  430   2HG   PRO  60          1HG       PRO  60  -8.132  13.371   1.460
  431   1HD   PRO  60          2HD       PRO  60  -7.579  13.963  -1.420
  432   2HD   PRO  60          1HD       PRO  60  -7.202  12.509  -0.473
  433    H    ASP  61           H        ASP  61 -12.431  13.930   0.746
  434    HA   ASP  61           HA       ASP  61 -13.704  15.119  -1.519
  435   1HB   ASP  61          2HB       ASP  61 -14.198  12.797  -2.089
  436   2HB   ASP  61          1HB       ASP  61 -14.720  12.471  -0.438
  437    H    SER  62           H        SER  62 -15.587  13.433   0.761
  438    HA   SER  62           HA       SER  62 -15.387  15.202   2.963
  439   1HB   SER  62          2HB       SER  62 -17.915  15.309   1.284
  440   2HB   SER  62          1HB       SER  62 -17.784  15.942   2.925
  441    HG   SER  62           HG       SER  62 -15.808  16.870   1.283
  442    H    LYS  63           H        LYS  63 -17.572  12.962   1.267
  443    HA   LYS  63           HA       LYS  63 -18.089  11.573   3.770
  444   1HB   LYS  63          2HB       LYS  63 -19.675  10.207   2.434
  445   2HB   LYS  63          1HB       LYS  63 -20.012  11.928   2.363
  446   1HG   LYS  63          2HG       LYS  63 -20.344  11.122   0.186
  447   2HG   LYS  63          1HG       LYS  63 -18.784  11.938   0.144
  448   1HD   LYS  63          2HD       LYS  63 -17.635   9.792   0.332
  449   2HD   LYS  63          1HD       LYS  63 -19.193   8.962   0.432
  450   1HE   LYS  63          2HE       LYS  63 -18.314  10.627  -1.923
  451   2HE   LYS  63          1HE       LYS  63 -18.126   8.876  -1.822
  452   1HZ   LYS  63          1HZ       LYS  63 -20.615   8.825  -1.447
  453   2HZ   LYS  63          2HZ       LYS  63 -20.092   9.230  -3.008
  454   3HZ   LYS  63          3HZ       LYS  63 -20.637  10.444  -1.960
  455    H    LEU  64           H        LEU  64 -16.178  11.234   0.902
  456    HA   LEU  64           HA       LEU  64 -15.729   8.457   0.979
  457   1HB   LEU  64          2HB       LEU  64 -15.210   9.931  -0.951
  458   2HB   LEU  64          1HB       LEU  64 -13.878  10.617  -0.039
  459    HG   LEU  64           HG       LEU  64 -12.764   8.427  -0.006
  460   1HD1  LEU  64          1HD1      LEU  64 -13.612   6.591  -1.368
  461   2HD1  LEU  64          2HD1      LEU  64 -15.057   7.528  -1.748
  462   3HD1  LEU  64          3HD1      LEU  64 -14.756   7.007  -0.091
  463   1HD2  LEU  64          1HD2      LEU  64 -12.275  10.010  -1.792
  464   2HD2  LEU  64          2HD2      LEU  64 -13.594   9.343  -2.754
  465   3HD2  LEU  64          3HD2      LEU  64 -12.187   8.350  -2.377
  466    H    LEU  65           H        LEU  65 -13.684  11.124   2.065
  467    HA   LEU  65           HA       LEU  65 -13.015   9.660   4.439
  468   1HB   LEU  65          2HB       LEU  65 -11.324   9.226   2.439
  469   2HB   LEU  65          1HB       LEU  65 -10.697  10.786   2.926
  470    HG   LEU  65           HG       LEU  65  -9.370   9.022   3.912
  471   1HD1  LEU  65          1HD1      LEU  65 -11.110  10.326   6.000
  472   2HD1  LEU  65          2HD1      LEU  65  -9.670  11.024   5.261
  473   3HD1  LEU  65          3HD1      LEU  65  -9.533   9.590   6.278
  474   1HD2  LEU  65          1HD2      LEU  65 -10.294   7.387   5.438
  475   2HD2  LEU  65          2HD2      LEU  65 -11.096   7.271   3.871
  476   3HD2  LEU  65          3HD2      LEU  65 -11.910   8.058   5.224
  477    H    GLY  66           H        GLY  66 -12.033  12.428   2.520
  478   1HA   GLY  66          2HA       GLY  66 -12.541  14.674   2.834
  479   2HA   GLY  66          1HA       GLY  66 -13.328  14.252   4.345
  480    H    ALA  67           H        ALA  67 -11.631  13.315   5.982
  481    HA   ALA  67           HA       ALA  67  -9.900  15.327   6.825
  482   1HB   ALA  67          1HB       ALA  67  -9.746  12.359   7.344
  483   2HB   ALA  67          2HB       ALA  67 -10.700  13.523   8.266
  484   3HB   ALA  67          3HB       ALA  67  -8.938  13.609   8.292
  485    H    GLY  68           H        GLY  68  -8.934  12.171   5.594
  486   1HA   GLY  68          2HA       GLY  68  -6.743  13.465   4.110
  487   2HA   GLY  68          1HA       GLY  68  -6.582  11.882   4.875
  488    H    GLY  69           H        GLY  69  -6.033  11.096   2.739
  489   1HA   GLY  69          2HA       GLY  69  -8.374  10.857   0.965
  490   2HA   GLY  69          1HA       GLY  69  -6.700  10.654   0.464
  491    H    THR  70           H        THR  70  -7.414   8.614  -0.428
  492    HA   THR  70           HA       THR  70  -7.048   6.473   1.437
  493    HB   THR  70           HB       THR  70  -9.308   5.537   0.126
  494    HG1  THR  70           1HG      THR  70  -9.643   7.928  -0.253
  495   1HG2  THR  70          1HG2      THR  70 -10.263   5.517   2.373
  496   2HG2  THR  70          2HG2      THR  70  -9.063   6.696   2.909
  497   3HG2  THR  70          3HG2      THR  70  -8.554   5.075   2.426
  498    H    GLU  71           H        GLU  71  -5.234   6.271   0.078
  499    HA   GLU  71           HA       GLU  71  -5.768   5.210  -2.610
  500   1HB   GLU  71          2HB       GLU  71  -3.146   6.138  -1.400
  501   2HB   GLU  71          1HB       GLU  71  -3.421   5.690  -3.081
  502   1HG   GLU  71          2HG       GLU  71  -4.985   7.570  -3.306
  503   2HG   GLU  71          1HG       GLU  71  -4.637   8.040  -1.644
  504    H    HIS  72           H        HIS  72  -6.072   3.013  -2.448
  505    HA   HIS  72           HA       HIS  72  -4.367   1.640  -0.478
  506   1HB   HIS  72          2HB       HIS  72  -6.716   0.198  -1.597
  507   2HB   HIS  72          1HB       HIS  72  -5.936   0.065  -0.034
  508    HD1  HIS  72           1HD      HIS  72  -8.291   0.007   1.023
  509    HD2  HIS  72           2HD      HIS  72  -7.341   3.578  -0.863
  510    HE1  HIS  72           1HE      HIS  72 -10.018   1.640   1.770
  511    HE2  HIS  72           2HE      HIS  72  -9.626   3.687   0.361
  512    H    PHE  73           H        PHE  73  -3.310  -0.168  -0.978
  513    HA   PHE  73           HA       PHE  73  -3.162  -0.924  -3.814
  514   1HB   PHE  73          2HB       PHE  73  -1.146  -0.423  -1.715
  515   2HB   PHE  73          1HB       PHE  73  -0.815  -1.788  -2.788
  516    HD1  PHE  73           1HD      PHE  73   0.148  -1.393  -4.870
  517    HD2  PHE  73           2HD      PHE  73  -1.760   1.809  -2.821
  518    HE1  PHE  73           1HE      PHE  73   0.932   0.169  -6.595
  519    HE2  PHE  73           2HE      PHE  73  -0.968   3.383  -4.539
  520    HZ   PHE  73           HZ       PHE  73   0.377   2.562  -6.429
  521    H    HIS  74           H        HIS  74  -4.136  -2.825  -4.107
  522    HA   HIS  74           HA       HIS  74  -4.297  -4.632  -1.792
  523   1HB   HIS  74          2HB       HIS  74  -6.065  -4.250  -4.203
  524   2HB   HIS  74          1HB       HIS  74  -6.181  -5.677  -3.186
  525    HD1  HIS  74           1HD      HIS  74  -8.618  -4.991  -2.658
  526    HD2  HIS  74           2HD      HIS  74  -5.746  -2.281  -1.316
  527    HE1  HIS  74           1HE      HIS  74  -9.786  -3.532  -0.982
  528    HE2  HIS  74           2HE      HIS  74  -7.950  -2.147   0.039
  529    H    VAL  75           H        VAL  75  -3.812  -6.830  -2.058
  530    HA   VAL  75           HA       VAL  75  -2.844  -7.595  -4.713
  531    HB   VAL  75           HB       VAL  75  -0.912  -8.699  -3.905
  532   1HG1  VAL  75          1HG1      VAL  75  -0.673  -6.272  -4.092
  533   2HG1  VAL  75          2HG1      VAL  75   0.392  -6.950  -2.860
  534   3HG1  VAL  75          3HG1      VAL  75  -1.085  -6.104  -2.383
  535   1HG2  VAL  75          1HG2      VAL  75  -1.781  -9.743  -1.935
  536   2HG2  VAL  75          2HG2      VAL  75  -1.929  -8.175  -1.124
  537   3HG2  VAL  75          3HG2      VAL  75  -0.328  -8.830  -1.507
  538    H    THR  76           H        THR  76  -3.720  -9.426  -5.405
  539    HA   THR  76           HA       THR  76  -5.502 -10.825  -3.532
  540    HB   THR  76           HB       THR  76  -5.431 -11.177  -6.535
  541    HG1  THR  76           1HG      THR  76  -6.139  -9.181  -6.746
  542   1HG2  THR  76          1HG2      THR  76  -6.810 -12.747  -5.294
  543   2HG2  THR  76          2HG2      THR  76  -7.854 -11.646  -6.192
  544   3HG2  THR  76          3HG2      THR  76  -7.626 -11.428  -4.455
  545    H    VAL  77           H        VAL  77  -4.369 -12.554  -2.668
  546    HA   VAL  77           HA       VAL  77  -2.806 -14.198  -4.500
  547    HB   VAL  77           HB       VAL  77  -1.193 -12.557  -3.828
  548   1HG1  VAL  77          1HG1      VAL  77  -2.350 -11.705  -1.859
  549   2HG1  VAL  77          2HG1      VAL  77  -0.661 -12.072  -1.506
  550   3HG1  VAL  77          3HG1      VAL  77  -1.933 -13.173  -0.976
  551   1HG2  VAL  77          1HG2      VAL  77  -0.792 -15.090  -2.245
  552   2HG2  VAL  77          2HG2      VAL  77   0.470 -13.917  -2.619
  553   3HG2  VAL  77          3HG2      VAL  77  -0.319 -14.810  -3.920
  554    H    LYS  78           H        LYS  78  -2.633 -16.296  -3.913
  555    HA   LYS  78           HA       LYS  78  -2.803 -16.930  -1.083
  556   1HB   LYS  78          2HB       LYS  78  -4.131 -18.877  -1.364
  557   2HB   LYS  78          1HB       LYS  78  -5.006 -17.524  -2.036
  558   1HG   LYS  78          2HG       LYS  78  -3.413 -19.312  -3.823
  559   2HG   LYS  78          1HG       LYS  78  -5.019 -19.790  -3.273
  560   1HD   LYS  78          2HD       LYS  78  -5.830 -17.554  -4.143
  561   2HD   LYS  78          1HD       LYS  78  -4.252 -17.390  -4.918
  562   1HE   LYS  78          2HE       LYS  78  -5.828 -18.275  -6.508
  563   2HE   LYS  78          1HE       LYS  78  -4.657 -19.527  -6.100
  564   1HZ   LYS  78          1HZ       LYS  78  -6.895 -20.412  -6.157
  565   2HZ   LYS  78          2HZ       LYS  78  -7.406 -19.287  -4.996
  566   3HZ   LYS  78          3HZ       LYS  78  -6.282 -20.488  -4.577
  567    H    ALA  79           H        ALA  79  -0.791 -17.449  -0.703
  568    HA   ALA  79           HA       ALA  79   0.495 -19.639  -1.984
  569   1HB   ALA  79          1HB       ALA  79   2.379 -18.428  -2.958
  570   2HB   ALA  79          2HB       ALA  79   1.645 -16.892  -2.506
  571   3HB   ALA  79          3HB       ALA  79   0.868 -17.919  -3.713
  572    H    ALA  80           H        ALA  80   2.728 -19.947  -1.073
  573    HA   ALA  80           HA       ALA  80   2.778 -18.930   1.687
  574   1HB   ALA  80          1HB       ALA  80   4.188 -21.311   0.488
  575   2HB   ALA  80          2HB       ALA  80   2.712 -21.362   1.451
  576   3HB   ALA  80          3HB       ALA  80   4.227 -20.831   2.184
  577    H    GLY  81           H        GLY  81   3.706 -16.948   1.280
  578   1HA   GLY  81          2HA       GLY  81   6.569 -16.925   0.829
  579   2HA   GLY  81          1HA       GLY  81   5.622 -16.162  -0.446
  580    H    THR  82           H        THR  82   7.404 -14.625   0.931
  581    HA   THR  82           HA       THR  82   5.771 -13.261   2.956
  582    HB   THR  82           HB       THR  82   8.646 -12.616   2.307
  583    HG1  THR  82           1HG      THR  82   8.037 -14.938   3.042
  584   1HG2  THR  82          1HG2      THR  82   8.622 -11.813   4.656
  585   2HG2  THR  82          2HG2      THR  82   6.902 -12.208   4.743
  586   3HG2  THR  82          3HG2      THR  82   7.467 -10.960   3.633
  587    H    HIS  83           H        HIS  83   4.981 -11.262   2.657
  588    HA   HIS  83           HA       HIS  83   5.290 -10.159  -0.047
  589   1HB   HIS  83          2HB       HIS  83   2.967 -10.869   0.929
  590   2HB   HIS  83          1HB       HIS  83   3.103  -9.404   1.891
  591    HD1  HIS  83           1HD      HIS  83   3.532  -7.142   0.404
  592    HD2  HIS  83           2HD      HIS  83   1.851 -10.420  -1.518
  593    HE1  HIS  83           1HE      HIS  83   2.488  -6.217  -1.684
  594    HE2  HIS  83           2HE      HIS  83   1.355  -8.199  -2.770
  595    H    ALA  84           H        ALA  84   6.906  -8.702   0.033
  596    HA   ALA  84           HA       ALA  84   6.991  -6.822   2.285
  597   1HB   ALA  84          1HB       ALA  84   9.095  -7.971   1.775
  598   2HB   ALA  84          2HB       ALA  84   9.237  -6.239   1.473
  599   3HB   ALA  84          3HB       ALA  84   9.040  -7.354   0.122
  600    H    VAL  85           H        VAL  85   5.933  -4.996   1.994
  601    HA   VAL  85           HA       VAL  85   5.343  -4.173  -0.772
  602    HB   VAL  85           HB       VAL  85   3.780  -3.031   1.445
  603   1HG1  VAL  85          1HG1      VAL  85   3.012  -4.251  -1.190
  604   2HG1  VAL  85          2HG1      VAL  85   3.293  -2.537  -0.882
  605   3HG1  VAL  85          3HG1      VAL  85   1.938  -3.362  -0.108
  606   1HG2  VAL  85          1HG2      VAL  85   3.376  -5.910   0.676
  607   2HG2  VAL  85          2HG2      VAL  85   2.405  -4.974   1.814
  608   3HG2  VAL  85          3HG2      VAL  85   4.087  -5.365   2.196
  609    H    ASN  86           H        ASN  86   6.850  -2.689  -1.282
  610    HA   ASN  86           HA       ASN  86   7.262  -0.456   0.595
  611   1HB   ASN  86          2HB       ASN  86   8.969  -1.472  -1.693
  612   2HB   ASN  86          1HB       ASN  86   9.258   0.063  -0.885
  613   1HD2  ASN  86          1HD2      ASN  86   8.193  -2.871   0.724
  614   2HD2  ASN  86          2HD2      ASN  86   9.648  -3.125   1.620
  615    H    LEU  87           H        LEU  87   5.788   1.006   0.167
  616    HA   LEU  87           HA       LEU  87   5.157   1.599  -2.640
  617   1HB   LEU  87          2HB       LEU  87   3.572   2.171  -0.133
  618   2HB   LEU  87          1HB       LEU  87   3.092   2.614  -1.763
  619    HG   LEU  87           HG       LEU  87   3.532  -0.249  -0.922
  620   1HD1  LEU  87          1HD1      LEU  87   0.963   1.327  -1.012
  621   2HD1  LEU  87          2HD1      LEU  87   1.759   0.718   0.443
  622   3HD1  LEU  87          3HD1      LEU  87   1.104  -0.412  -0.743
  623   1HD2  LEU  87          1HD2      LEU  87   2.099   1.005  -3.247
  624   2HD2  LEU  87          2HD2      LEU  87   2.224  -0.722  -2.907
  625   3HD2  LEU  87          3HD2      LEU  87   3.672   0.207  -3.300
  626    H    THR  88           H        THR  88   5.803   3.483  -3.433
  627    HA   THR  88           HA       THR  88   7.092   5.327  -1.567
  628    HB   THR  88           HB       THR  88   7.479   5.265  -4.557
  629    HG1  THR  88           1HG      THR  88   8.171   3.269  -4.074
  630   1HG2  THR  88          1HG2      THR  88   8.333   7.235  -3.384
  631   2HG2  THR  88          2HG2      THR  88   9.671   6.234  -3.949
  632   3HG2  THR  88          3HG2      THR  88   9.200   6.201  -2.248
  633    H    TYR  89           H        TYR  89   6.197   7.149  -1.138
  634    HA   TYR  89           HA       TYR  89   3.799   8.026  -2.539
  635   1HB   TYR  89          2HB       TYR  89   3.941   7.790  -0.034
  636   2HB   TYR  89          1HB       TYR  89   5.120   9.091  -0.026
  637    HD1  TYR  89           1HD      TYR  89   2.110   8.999  -2.145
  638    HD2  TYR  89           2HD      TYR  89   3.936  10.613   1.325
  639    HE1  TYR  89           1HE      TYR  89   0.296  10.639  -1.959
  640    HE2  TYR  89           2HE      TYR  89   2.124  12.251   1.528
  641    HH   TYR  89           HH       TYR  89   0.469  13.334   0.073
  642    H    MET  90           H        MET  90   4.614   8.972  -4.445
  643    HA   MET  90           HA       MET  90   6.406  11.297  -4.049
  644   1HB   MET  90          2HB       MET  90   6.585   9.669  -6.549
  645   2HB   MET  90          1HB       MET  90   7.757  10.769  -5.855
  646   1HG   MET  90          2HG       MET  90   8.338   9.186  -4.159
  647   2HG   MET  90          1HG       MET  90   7.081   8.077  -4.722
  648   1HE   MET  90          1HE       MET  90   8.416   7.303  -8.381
  649   2HE   MET  90          2HE       MET  90   7.358   8.634  -7.904
  650   3HE   MET  90          3HE       MET  90   7.101   7.019  -7.240
  651    H    ARG  91           H        ARG  91   6.381  12.794  -5.815
  652    HA   ARG  91           HA       ARG  91   3.865  13.260  -7.048
  653   1HB   ARG  91          2HB       ARG  91   6.478  14.537  -6.869
  654   2HB   ARG  91          1HB       ARG  91   5.839  14.600  -8.509
  655   1HG   ARG  91          2HG       ARG  91   3.829  15.691  -7.733
  656   2HG   ARG  91          1HG       ARG  91   4.347  15.511  -6.059
  657   1HD   ARG  91          2HD       ARG  91   5.982  17.024  -8.073
  658   2HD   ARG  91          1HD       ARG  91   4.680  17.792  -7.171
  659    HE   ARG  91           HE       ARG  91   7.047  16.563  -5.900
  660   1HH1  ARG  91          1HH1      ARG  91   4.560  19.014  -6.069
  661   2HH1  ARG  91          2HH1      ARG  91   5.168  19.911  -4.711
  662   1HH2  ARG  91          1HH2      ARG  91   7.855  17.757  -4.071
  663   2HH2  ARG  91          2HH2      ARG  91   7.027  19.204  -3.585
  664    HA   PRO  92           HA       PRO  92   4.447   9.739  -9.715
  665   1HB   PRO  92          2HB       PRO  92   2.383  10.434 -11.473
  666   2HB   PRO  92          1HB       PRO  92   2.238   9.426 -10.031
  667   1HG   PRO  92          2HG       PRO  92   1.650  12.325 -10.389
  668   2HG   PRO  92          1HG       PRO  92   0.803  11.119  -9.403
  669   1HD   PRO  92          2HD       PRO  92   2.427  12.922  -8.286
  670   2HD   PRO  92          1HD       PRO  92   2.370  11.249  -7.688
  671    H    TRP  93           H        TRP  93   4.383  13.024 -10.992
  672    HA   TRP  93           HA       TRP  93   5.444  12.108 -13.547
  673   1HB   TRP  93          2HB       TRP  93   5.230  14.500 -14.222
  674   2HB   TRP  93          1HB       TRP  93   3.717  13.767 -13.704
  675    HD1  TRP  93           HD       TRP  93   6.193  16.501 -12.772
  676    HE1  TRP  93           1HE      TRP  93   5.184  17.949 -10.897
  677    HE3  TRP  93           3HE      TRP  93   2.099  13.653 -11.675
  678    HZ2  TRP  93           2HZ      TRP  93   2.936  17.887  -9.184
  679    HZ3  TRP  93           3HZ      TRP  93   0.574  14.406  -9.906
  680    HH2  TRP  93           HH       TRP  93   0.983  16.487  -8.686
  681    H    THR  94           H        THR  94   6.809  12.622 -10.666
  682    HA   THR  94           HA       THR  94   9.407  12.957 -11.782
  683    HB   THR  94           HB       THR  94   8.995  15.281 -11.848
  684    HG1  THR  94           1HG      THR  94  10.944  14.442 -10.590
  685   1HG2  THR  94          1HG2      THR  94   8.167  16.604  -9.964
  686   2HG2  THR  94          2HG2      THR  94   7.973  15.132  -9.013
  687   3HG2  THR  94          3HG2      THR  94   6.990  15.384 -10.456
  688    H    GLY  95           H        GLY  95   7.922  13.707  -8.615
  689   1HA   GLY  95          2HA       GLY  95   8.181  12.745  -6.543
  690   2HA   GLY  95          1HA       GLY  95   8.758  11.300  -7.391
  691    HA   PRO  96           HA       PRO  96  12.419  14.333  -6.317
  692   1HB   PRO  96          2HB       PRO  96  11.509  15.199  -3.664
  693   2HB   PRO  96          1HB       PRO  96  12.141  16.157  -4.999
  694   1HG   PRO  96          2HG       PRO  96   9.557  16.257  -4.267
  695   2HG   PRO  96          1HG       PRO  96  10.081  16.469  -5.946
  696   1HD   PRO  96          2HD       PRO  96   8.897  14.073  -4.620
  697   2HD   PRO  96          1HD       PRO  96   8.608  14.724  -6.248
  698    H    SER  97           H        SER  97  14.093  13.251  -5.553
  699    HA   SER  97           HA       SER  97  13.931  10.665  -4.778
  700   1HB   SER  97          2HB       SER  97  15.946  11.864  -5.658
  701   2HB   SER  97          1HB       SER  97  16.218  12.494  -4.036
  702    HG   SER  97           HG       SER  97  17.269  10.385  -4.844
  703    H    HIS  98           H        HIS  98  14.503  13.383  -2.508
  704    HA   HIS  98           HA       HIS  98  13.840  11.476  -0.355
  705   1HB   HIS  98          2HB       HIS  98  16.275  12.185  -0.462
  706   2HB   HIS  98          1HB       HIS  98  15.735  13.803  -0.026
  707    HD1  HIS  98           1HD      HIS  98  15.174  10.297   1.373
  708    HD2  HIS  98           2HD      HIS  98  15.933  14.187   2.642
  709    HE1  HIS  98           1HE      HIS  98  15.314  10.178   3.883
  710    HE2  HIS  98           2HE      HIS  98  15.563  12.571   4.633
  711    H    ASP  99           H        ASP  99  12.268  13.571  -1.944
  712    HA   ASP  99           HA       ASP  99  11.308  15.106   0.384
  713   1HB   ASP  99          2HB       ASP  99  11.851  16.420  -1.641
  714   2HB   ASP  99          1HB       ASP  99  10.692  15.471  -2.562
  715    H    SER 100           H        SER 100  10.678  12.558  -1.765
  716    HA   SER 100           HA       SER 100   7.856  12.337  -1.288
  717   1HB   SER 100          2HB       SER 100   9.783  10.323  -2.461
  718   2HB   SER 100          1HB       SER 100   8.027  10.329  -2.626
  719    HG   SER 100           HG       SER 100   9.951  11.945  -3.855
  720    H    GLU 101           H        GLU 101   6.831  10.766  -0.026
  721    HA   GLU 101           HA       GLU 101   8.454   9.673   2.160
  722   1HB   GLU 101          2HB       GLU 101   6.359  10.955   2.681
  723   2HB   GLU 101          1HB       GLU 101   5.433   9.721   1.840
  724   1HG   GLU 101          2HG       GLU 101   6.026   8.071   3.465
  725   2HG   GLU 101          1HG       GLU 101   7.163   9.170   4.241
  726    H    ARG 102           H        ARG 102   7.627   7.320   2.833
  727    HA   ARG 102           HA       ARG 102   6.705   5.718   0.630
  728   1HB   ARG 102          2HB       ARG 102   9.173   6.053   0.166
  729   2HB   ARG 102          1HB       ARG 102   9.513   5.211   1.669
  730   1HG   ARG 102          2HG       ARG 102   8.496   3.190   0.813
  731   2HG   ARG 102          1HG       ARG 102   8.027   4.021  -0.669
  732   1HD   ARG 102          2HD       ARG 102  10.553   4.527  -0.899
  733   2HD   ARG 102          1HD       ARG 102  10.756   3.228   0.273
  734    HE   ARG 102           HE       ARG 102   9.295   2.772  -2.264
  735   1HH1  ARG 102          1HH1      ARG 102  11.806   1.883   0.026
  736   2HH1  ARG 102          2HH1      ARG 102  12.402   0.567  -0.944
  737   1HH2  ARG 102          1HH2      ARG 102  10.086   1.053  -3.549
  738   2HH2  ARG 102          2HH2      ARG 102  11.429   0.102  -2.970
  739    H    PHE 103           H        PHE 103   5.883   3.860   1.257
  740    HA   PHE 103           HA       PHE 103   5.771   3.341   4.140
  741   1HB   PHE 103          2HB       PHE 103   3.568   3.603   3.510
  742   2HB   PHE 103          1HB       PHE 103   3.863   3.066   1.862
  743    HD1  PHE 103           1HD      PHE 103   3.054   2.056   5.256
  744    HD2  PHE 103           2HD      PHE 103   3.837   0.718   1.298
  745    HE1  PHE 103           1HE      PHE 103   2.179  -0.163   5.832
  746    HE2  PHE 103           2HE      PHE 103   2.957  -1.498   1.866
  747    HZ   PHE 103           HZ       PHE 103   2.130  -1.941   4.134
  748    H    THR 104           H        THR 104   5.807   1.077   4.824
  749    HA   THR 104           HA       THR 104   6.660  -0.878   2.910
  750    HB   THR 104           HB       THR 104   8.587   0.173   4.991
  751    HG1  THR 104           1HG      THR 104   8.304   0.699   2.450
  752   1HG2  THR 104          1HG2      THR 104   8.747  -2.377   3.389
  753   2HG2  THR 104          2HG2      THR 104   8.561  -2.242   5.141
  754   3HG2  THR 104          3HG2      THR 104  10.052  -1.700   4.364
  755    H    VAL 105           H        VAL 105   5.029  -2.263   3.595
  756    HA   VAL 105           HA       VAL 105   5.335  -3.165   6.365
  757    HB   VAL 105           HB       VAL 105   3.044  -2.844   4.775
  758   1HG1  VAL 105          1HG1      VAL 105   1.991  -5.035   4.783
  759   2HG1  VAL 105          2HG1      VAL 105   3.484  -5.766   5.371
  760   3HG1  VAL 105          3HG1      VAL 105   3.430  -5.041   3.768
  761   1HG2  VAL 105          1HG2      VAL 105   1.896  -3.640   6.782
  762   2HG2  VAL 105          2HG2      VAL 105   3.191  -2.501   7.154
  763   3HG2  VAL 105          3HG2      VAL 105   3.435  -4.231   7.411
  764    H    TYR 106           H        TYR 106   6.306  -5.001   6.831
  765    HA   TYR 106           HA       TYR 106   6.913  -6.869   4.623
  766   1HB   TYR 106          2HB       TYR 106   8.146  -6.753   7.373
  767   2HB   TYR 106          1HB       TYR 106   8.624  -7.834   6.081
  768    HD1  TYR 106           1HD      TYR 106   9.529  -6.717   3.936
  769    HD2  TYR 106           2HD      TYR 106   9.279  -4.747   7.700
  770    HE1  TYR 106           1HE      TYR 106  11.173  -5.071   3.173
  771    HE2  TYR 106           2HE      TYR 106  10.933  -3.087   6.947
  772    HH   TYR 106           HH       TYR 106  12.763  -2.941   5.243
  773    H    LEU 107           H        LEU 107   5.129  -8.114   4.579
  774    HA   LEU 107           HA       LEU 107   4.373  -9.436   7.072
  775   1HB   LEU 107          2HB       LEU 107   2.696  -7.685   5.363
  776   2HB   LEU 107          1HB       LEU 107   1.943  -9.158   5.942
  777    HG   LEU 107           HG       LEU 107   2.389  -8.489   8.266
  778   1HD1  LEU 107          1HD1      LEU 107   3.443  -5.925   7.097
  779   2HD1  LEU 107          2HD1      LEU 107   4.401  -7.153   7.926
  780   3HD1  LEU 107          3HD1      LEU 107   3.164  -6.256   8.807
  781   1HD2  LEU 107          1HD2      LEU 107   1.013  -6.379   6.638
  782   2HD2  LEU 107          2HD2      LEU 107   0.842  -6.615   8.378
  783   3HD2  LEU 107          3HD2      LEU 107   0.292  -7.863   7.260
  784    H    LYS 108           H        LYS 108   3.388 -11.518   6.753
  785    HA   LYS 108           HA       LYS 108   4.561 -12.614   4.291
  786   1HB   LYS 108          2HB       LYS 108   5.426 -13.320   6.582
  787   2HB   LYS 108          1HB       LYS 108   3.910 -14.186   6.767
  788   1HG   LYS 108          2HG       LYS 108   4.379 -15.446   4.727
  789   2HG   LYS 108          1HG       LYS 108   5.920 -14.605   4.571
  790   1HD   LYS 108          2HD       LYS 108   6.293 -16.777   5.554
  791   2HD   LYS 108          1HD       LYS 108   6.622 -15.518   6.747
  792   1HE   LYS 108          2HE       LYS 108   4.443 -15.894   7.763
  793   2HE   LYS 108          1HE       LYS 108   4.073 -17.118   6.548
  794   1HZ   LYS 108          1HZ       LYS 108   4.824 -18.114   8.614
  795   2HZ   LYS 108          2HZ       LYS 108   6.283 -17.261   8.527
  796   3HZ   LYS 108          3HZ       LYS 108   5.920 -18.442   7.363
  797    H    ALA 109           H        ALA 109   3.423 -13.816   2.927
  798    HA   ALA 109           HA       ALA 109   0.532 -13.753   3.355
  799   1HB   ALA 109          1HB       ALA 109   0.438 -13.977   0.865
  800   2HB   ALA 109          2HB       ALA 109   2.195 -13.877   0.843
  801   3HB   ALA 109          3HB       ALA 109   1.241 -12.511   1.421
  802    H    ASN 110           H        ASN 110  -0.640 -15.583   3.379
  803    HA   ASN 110           HA       ASN 110   0.073 -18.041   2.270
  804   1HB   ASN 110          2HB       ASN 110   0.785 -19.346   4.209
  805   2HB   ASN 110          1HB       ASN 110   1.911 -18.027   3.917
  806   1HD2  ASN 110          1HD2      ASN 110   1.801 -16.183   5.304
  807   2HD2  ASN 110          2HD2      ASN 110   1.192 -16.336   6.910
  Start of MODEL   15
    1    H    HIS   3           H        HIS   3  -6.429  -9.907   4.445
    2    HA   HIS   3           HA       HIS   3  -5.477  -9.008   7.036
    3   1HB   HIS   3          2HB       HIS   3  -3.631 -10.454   6.508
    4   2HB   HIS   3          1HB       HIS   3  -3.677  -9.958   4.810
    5    HD1  HIS   3           1HD      HIS   3  -3.183  -8.124   8.119
    6    HD2  HIS   3           2HD      HIS   3  -1.592  -8.349   4.277
    7    HE1  HIS   3           1HE      HIS   3  -1.337  -6.417   8.050
    8    HE2  HIS   3           2HE      HIS   3  -0.499  -6.451   5.674
    9    H    LYS   4           H        LYS   4  -5.193  -6.825   7.089
   10    HA   LYS   4           HA       LYS   4  -4.989  -5.383   4.544
   11   1HB   LYS   4          2HB       LYS   4  -6.658  -3.769   5.192
   12   2HB   LYS   4          1HB       LYS   4  -7.368  -5.376   5.292
   13   1HG   LYS   4          2HG       LYS   4  -7.129  -5.369   7.699
   14   2HG   LYS   4          1HG       LYS   4  -6.312  -3.807   7.639
   15   1HD   LYS   4          2HD       LYS   4  -8.562  -3.383   8.262
   16   2HD   LYS   4          1HD       LYS   4  -8.399  -2.878   6.579
   17   1HE   LYS   4          2HE       LYS   4 -10.478  -4.095   6.918
   18   2HE   LYS   4          1HE       LYS   4  -9.397  -4.990   5.851
   19   1HZ   LYS   4          1HZ       LYS   4 -10.515  -6.366   7.573
   20   2HZ   LYS   4          2HZ       LYS   4  -9.645  -5.524   8.762
   21   3HZ   LYS   4          3HZ       LYS   4  -8.824  -6.459   7.609
   22    H    VAL   5           H        VAL   5  -3.470  -3.769   4.617
   23    HA   VAL   5           HA       VAL   5  -2.430  -3.207   7.316
   24    HB   VAL   5           HB       VAL   5  -0.979  -4.079   5.096
   25   1HG1  VAL   5          1HG1      VAL   5  -0.311  -1.200   5.551
   26   2HG1  VAL   5          2HG1      VAL   5  -0.958  -1.900   4.067
   27   3HG1  VAL   5          3HG1      VAL   5   0.654  -2.357   4.634
   28   1HG2  VAL   5          1HG2      VAL   5   0.940  -3.714   6.585
   29   2HG2  VAL   5          2HG2      VAL   5  -0.431  -4.498   7.372
   30   3HG2  VAL   5          3HG2      VAL   5  -0.111  -2.786   7.652
   31    H    THR   6           H        THR   6  -2.632  -1.233   8.199
   32    HA   THR   6           HA       THR   6  -3.509   0.983   6.449
   33    HB   THR   6           HB       THR   6  -4.623   1.716   8.777
   34    HG1  THR   6           1HG      THR   6  -5.593  -0.328   9.590
   35   1HG2  THR   6          1HG2      THR   6  -5.812  -0.194   6.762
   36   2HG2  THR   6          2HG2      THR   6  -5.777   1.566   6.645
   37   3HG2  THR   6          3HG2      THR   6  -6.734   0.783   7.905
   38    H    LYS   7           H        LYS   7  -3.117   3.233   7.392
   39    HA   LYS   7           HA       LYS   7  -0.588   3.630   6.703
   40   1HB   LYS   7          2HB       LYS   7  -2.190   5.431   6.973
   41   2HB   LYS   7          1HB       LYS   7  -2.007   5.365   8.719
   42   1HG   LYS   7          2HG       LYS   7  -0.765   7.224   7.647
   43   2HG   LYS   7          1HG       LYS   7   0.260   6.133   8.580
   44   1HD   LYS   7          2HD       LYS   7   1.095   5.093   6.614
   45   2HD   LYS   7          1HD       LYS   7  -0.118   5.876   5.599
   46   1HE   LYS   7          2HE       LYS   7   1.979   6.995   5.267
   47   2HE   LYS   7          1HE       LYS   7   0.927   8.072   6.182
   48   1HZ   LYS   7          1HZ       LYS   7   3.137   8.095   7.099
   49   2HZ   LYS   7          2HZ       LYS   7   3.134   6.416   7.281
   50   3HZ   LYS   7          3HZ       LYS   7   2.086   7.371   8.214
   51    H    ALA   8           H        ALA   8  -1.328   3.324  10.220
   52    HA   ALA   8           HA       ALA   8   1.080   3.850  11.387
   53   1HB   ALA   8          1HB       ALA   8  -0.894   3.097  12.598
   54   2HB   ALA   8          2HB       ALA   8   0.522   2.144  13.051
   55   3HB   ALA   8          3HB       ALA   8  -0.678   1.473  11.943
   56    H    HIS   9           H        HIS   9   0.223   1.068   9.517
   57    HA   HIS   9           HA       HIS   9   2.249  -0.710  10.008
   58   1HB   HIS   9          2HB       HIS   9   1.667  -1.706   7.891
   59   2HB   HIS   9          1HB       HIS   9   0.201  -1.136   8.692
   60    HD1  HIS   9           1HD      HIS   9  -1.260  -0.185   6.954
   61    HD2  HIS   9           2HD      HIS   9   2.684   0.769   6.469
   62    HE1  HIS   9           1HE      HIS   9  -1.248   1.491   5.142
   63    HE2  HIS   9           2HE      HIS   9   1.181   1.875   4.631
   64    H    ASN  10           H        ASN  10   2.673   2.362   8.717
   65    HA   ASN  10           HA       ASN  10   4.407   1.949   6.542
   66   1HB   ASN  10          2HB       ASN  10   3.239   4.107   7.236
   67   2HB   ASN  10          1HB       ASN  10   4.492   4.315   8.459
   68   1HD2  ASN  10          1HD2      ASN  10   6.625   3.345   6.685
   69   2HD2  ASN  10          2HD2      ASN  10   6.873   4.602   5.517
   70    H    GLY  11           H        GLY  11   4.728   1.522   9.877
   71   1HA   GLY  11          2HA       GLY  11   7.481   0.565   9.451
   72   2HA   GLY  11          1HA       GLY  11   7.074   1.455  10.918
   73    H    ALA  12           H        ALA  12   5.706  -1.242   9.001
   74    HA   ALA  12           HA       ALA  12   5.032  -2.517  11.545
   75   1HB   ALA  12          1HB       ALA  12   2.999  -1.964  10.579
   76   2HB   ALA  12          2HB       ALA  12   3.210  -3.685  10.247
   77   3HB   ALA  12          3HB       ALA  12   3.522  -2.493   8.984
   78    H    THR  13           H        THR  13   5.205  -4.762  11.769
   79    HA   THR  13           HA       THR  13   6.121  -6.363   9.513
   80    HB   THR  13           HB       THR  13   7.662  -6.385  12.122
   81    HG1  THR  13           1HG      THR  13   7.852  -4.723   9.994
   82   1HG2  THR  13          1HG2      THR  13   9.263  -7.738  10.827
   83   2HG2  THR  13          2HG2      THR  13   8.162  -7.705   9.450
   84   3HG2  THR  13          3HG2      THR  13   7.686  -8.516  10.943
   85    H    LEU  14           H        LEU  14   4.629  -7.956   9.482
   86    HA   LEU  14           HA       LEU  14   3.900  -9.342  11.921
   87   1HB   LEU  14          2HB       LEU  14   1.518  -8.934  11.740
   88   2HB   LEU  14          1HB       LEU  14   2.382  -7.429  11.961
   89    HG   LEU  14           HG       LEU  14   1.425  -8.377   9.260
   90   1HD1  LEU  14          1HD1      LEU  14  -0.496  -8.149  10.743
   91   2HD1  LEU  14          2HD1      LEU  14  -0.463  -6.847   9.556
   92   3HD1  LEU  14          3HD1      LEU  14   0.047  -6.540  11.215
   93   1HD2  LEU  14          1HD2      LEU  14   2.182  -5.632  10.266
   94   2HD2  LEU  14          2HD2      LEU  14   1.709  -6.053   8.620
   95   3HD2  LEU  14          3HD2      LEU  14   3.217  -6.677   9.294
   96    H    THR  15           H        THR  15   2.325 -11.158  11.461
   97    HA   THR  15           HA       THR  15   2.910 -12.298   8.808
   98    HB   THR  15           HB       THR  15   2.016 -13.626  11.379
   99    HG1  THR  15           1HG      THR  15   4.338 -12.940  10.860
  100   1HG2  THR  15          1HG2      THR  15   2.613 -14.935   8.722
  101   2HG2  THR  15          2HG2      THR  15   0.986 -14.641   9.344
  102   3HG2  THR  15          3HG2      THR  15   2.083 -15.732  10.205
  103    H    VAL  16           H        VAL  16   1.256 -13.094   7.499
  104    HA   VAL  16           HA       VAL  16  -1.489 -12.434   8.345
  105    HB   VAL  16           HB       VAL  16  -2.010 -11.479   6.257
  106   1HG1  VAL  16          1HG1      VAL  16   0.760 -10.601   7.067
  107   2HG1  VAL  16          2HG1      VAL  16  -0.771  -9.988   7.694
  108   3HG1  VAL  16          3HG1      VAL  16  -0.320  -9.684   6.016
  109   1HG2  VAL  16          1HG2      VAL  16  -0.957 -13.042   4.768
  110   2HG2  VAL  16          2HG2      VAL  16   0.645 -12.461   5.236
  111   3HG2  VAL  16          3HG2      VAL  16  -0.459 -11.400   4.357
  112    H    ALA  17           H        ALA  17  -3.148 -13.689   7.415
  113    HA   ALA  17           HA       ALA  17  -2.285 -16.178   6.105
  114   1HB   ALA  17          1HB       ALA  17  -4.855 -15.424   7.501
  115   2HB   ALA  17          2HB       ALA  17  -3.629 -16.557   8.072
  116   3HB   ALA  17          3HB       ALA  17  -4.598 -16.948   6.651
  117    H    VAL  18           H        VAL  18  -3.008 -16.612   4.028
  118    HA   VAL  18           HA       VAL  18  -4.501 -14.412   2.762
  119    HB   VAL  18           HB       VAL  18  -3.351 -14.876   0.677
  120   1HG1  VAL  18          1HG1      VAL  18  -2.306 -13.201   1.934
  121   2HG1  VAL  18          2HG1      VAL  18  -0.997 -14.282   1.439
  122   3HG1  VAL  18          3HG1      VAL  18  -1.635 -14.356   3.087
  123   1HG2  VAL  18          1HG2      VAL  18  -2.966 -17.261   0.944
  124   2HG2  VAL  18          2HG2      VAL  18  -1.797 -16.943   2.227
  125   3HG2  VAL  18          3HG2      VAL  18  -1.457 -16.422   0.575
  126    H    GLY  19           H        GLY  19  -5.249 -15.315   0.447
  127   1HA   GLY  19          2HA       GLY  19  -6.178 -17.515  -0.437
  128   2HA   GLY  19          1HA       GLY  19  -7.003 -17.587   1.116
  129    H    GLU  20           H        GLU  20  -8.163 -15.386   1.619
  130    HA   GLU  20           HA       GLU  20 -10.046 -14.888  -0.480
  131   1HB   GLU  20          2HB       GLU  20  -9.619 -13.234   2.008
  132   2HB   GLU  20          1HB       GLU  20 -11.071 -13.322   1.026
  133   1HG   GLU  20          2HG       GLU  20 -11.469 -15.586   1.748
  134   2HG   GLU  20          1HG       GLU  20  -9.953 -15.590   2.654
  135    H    LEU  21           H        LEU  21  -8.081 -12.582   1.347
  136    HA   LEU  21           HA       LEU  21  -6.960 -11.329  -0.955
  137   1HB   LEU  21          2HB       LEU  21  -9.179 -10.452  -1.232
  138   2HB   LEU  21          1HB       LEU  21  -9.280 -10.032   0.466
  139    HG   LEU  21           HG       LEU  21  -7.522  -8.323   0.125
  140   1HD1  LEU  21          1HD1      LEU  21  -7.819  -9.013  -2.793
  141   2HD1  LEU  21          2HD1      LEU  21  -6.415  -9.382  -1.792
  142   3HD1  LEU  21          3HD1      LEU  21  -6.848  -7.704  -2.119
  143   1HD2  LEU  21          1HD2      LEU  21  -9.926  -8.101  -1.678
  144   2HD2  LEU  21          2HD2      LEU  21  -8.921  -6.753  -1.151
  145   3HD2  LEU  21          3HD2      LEU  21  -9.852  -7.672   0.031
  146    H    VAL  22           H        VAL  22  -5.151 -10.300  -0.351
  147    HA   VAL  22           HA       VAL  22  -4.986  -9.391   2.440
  148    HB   VAL  22           HB       VAL  22  -3.011 -10.938   0.819
  149   1HG1  VAL  22          1HG1      VAL  22  -2.279  -8.653   2.609
  150   2HG1  VAL  22          2HG1      VAL  22  -1.598  -9.101   1.049
  151   3HG1  VAL  22          3HG1      VAL  22  -1.231 -10.062   2.482
  152   1HG2  VAL  22          1HG2      VAL  22  -3.685 -10.738   3.745
  153   2HG2  VAL  22          2HG2      VAL  22  -2.524 -11.867   3.041
  154   3HG2  VAL  22          3HG2      VAL  22  -4.234 -11.980   2.619
  155    H    GLU  23           H        GLU  23  -5.001  -7.226   2.540
  156    HA   GLU  23           HA       GLU  23  -4.072  -5.868   0.109
  157   1HB   GLU  23          2HB       GLU  23  -5.714  -4.298   0.217
  158   2HB   GLU  23          1HB       GLU  23  -6.554  -5.720   0.812
  159   1HG   GLU  23          2HG       GLU  23  -6.389  -4.944   3.074
  160   2HG   GLU  23          1HG       GLU  23  -5.366  -3.596   2.575
  161    H    ILE  24           H        ILE  24  -3.235  -3.863   0.224
  162    HA   ILE  24           HA       ILE  24  -1.937  -3.068   2.748
  163    HB   ILE  24           HB       ILE  24  -0.848  -2.816  -0.060
  164   1HG1  ILE  24          2HG1      ILE  24  -0.798  -5.151   0.719
  165   2HG1  ILE  24          1HG1      ILE  24   0.823  -4.490   0.528
  166   1HG2  ILE  24          1HG2      ILE  24  -0.195  -0.997   1.447
  167   2HG2  ILE  24          2HG2      ILE  24   1.178  -1.988   0.949
  168   3HG2  ILE  24          3HG2      ILE  24   0.488  -2.186   2.558
  169   1HD1  ILE  24          1HD1      ILE  24  -0.664  -4.822   3.125
  170   2HD1  ILE  24          2HD1      ILE  24   0.963  -4.164   2.943
  171   3HD1  ILE  24          3HD1      ILE  24   0.640  -5.847   2.530
  172    H    GLN  25           H        GLN  25  -3.208  -1.267   3.268
  173    HA   GLN  25           HA       GLN  25  -3.885   0.445   0.983
  174   1HB   GLN  25          2HB       GLN  25  -5.910  -0.448   1.728
  175   2HB   GLN  25          1HB       GLN  25  -5.495  -0.225   3.428
  176   1HG   GLN  25          2HG       GLN  25  -5.491   2.245   1.932
  177   2HG   GLN  25          1HG       GLN  25  -7.052   1.424   1.867
  178   1HE2  GLN  25          1HE2      GLN  25  -4.714   2.963   3.937
  179   2HE2  GLN  25          2HE2      GLN  25  -5.738   3.115   5.319
  180    H    LEU  26           H        LEU  26  -3.403   2.480   0.994
  181    HA   LEU  26           HA       LEU  26  -2.362   3.640   3.472
  182   1HB   LEU  26          2HB       LEU  26  -1.597   4.013   0.616
  183   2HB   LEU  26          1HB       LEU  26  -1.433   5.371   1.710
  184    HG   LEU  26           HG       LEU  26   0.675   4.213   1.494
  185   1HD1  LEU  26          1HD1      LEU  26  -0.596   3.764   4.181
  186   2HD1  LEU  26          2HD1      LEU  26   0.207   5.234   3.626
  187   3HD1  LEU  26          3HD1      LEU  26   1.137   3.751   3.855
  188   1HD2  LEU  26          1HD2      LEU  26   0.980   1.917   2.233
  189   2HD2  LEU  26          2HD2      LEU  26  -0.183   1.993   0.906
  190   3HD2  LEU  26          3HD2      LEU  26  -0.747   1.781   2.566
  191    HA   PRO  27           HA       PRO  27  -5.822   6.385   3.207
  192   1HB   PRO  27          2HB       PRO  27  -5.103   8.198   5.001
  193   2HB   PRO  27          1HB       PRO  27  -5.414   6.529   5.503
  194   1HG   PRO  27          2HG       PRO  27  -2.774   7.872   4.944
  195   2HG   PRO  27          1HG       PRO  27  -3.243   6.848   6.326
  196   1HD   PRO  27          2HD       PRO  27  -1.867   5.918   4.167
  197   2HD   PRO  27          1HD       PRO  27  -2.953   4.907   5.142
  198    H    SER  28           H        SER  28  -3.002   6.857   1.769
  199    HA   SER  28           HA       SER  28  -2.037   8.360   0.406
  200   1HB   SER  28          2HB       SER  28  -4.384   8.651  -0.486
  201   2HB   SER  28          1HB       SER  28  -4.566  10.002   0.636
  202    HG   SER  28           HG       SER  28  -2.671   9.777  -1.482
  203    H    ASN  29           H        ASN  29  -3.967  10.204   2.693
  204    HA   ASN  29           HA       ASN  29  -3.541  12.020   3.990
  205   1HB   ASN  29          2HB       ASN  29  -0.594  11.482   3.958
  206   2HB   ASN  29          1HB       ASN  29  -1.581  12.109   5.260
  207   1HD2  ASN  29          1HD2      ASN  29  -0.150   9.406   3.847
  208   2HD2  ASN  29          2HD2      ASN  29  -0.724   8.218   4.961
  209    HA   PRO  30           HA       PRO  30  -2.282  13.691  -0.194
  210   1HB   PRO  30          2HB       PRO  30  -4.422  15.608   0.631
  211   2HB   PRO  30          1HB       PRO  30  -4.135  14.842  -0.940
  212   1HG   PRO  30          2HG       PRO  30  -6.071  13.915   0.568
  213   2HG   PRO  30          1HG       PRO  30  -4.957  12.768  -0.207
  214   1HD   PRO  30          2HD       PRO  30  -4.971  13.741   2.630
  215   2HD   PRO  30          1HD       PRO  30  -4.794  12.083   2.010
  216    H    THR  31           H        THR  31  -0.379  14.629   0.023
  217    HA   THR  31           HA       THR  31  -0.020  16.767   1.955
  218    HB   THR  31           HB       THR  31   1.972  15.846   2.265
  219    HG1  THR  31           1HG      THR  31   3.534  16.515   0.971
  220   1HG2  THR  31          1HG2      THR  31   1.511  14.155  -0.199
  221   2HG2  THR  31          2HG2      THR  31   1.065  13.726   1.455
  222   3HG2  THR  31          3HG2      THR  31   2.766  13.888   1.012
  223    H    THR  32           H        THR  32   0.082  16.277  -1.549
  224    HA   THR  32           HA       THR  32  -0.557  18.930  -2.119
  225    HB   THR  32           HB       THR  32   1.666  19.509  -1.311
  226    HG1  THR  32           1HG      THR  32   1.337  20.926  -2.853
  227   1HG2  THR  32          1HG2      THR  32   2.851  17.420  -1.707
  228   2HG2  THR  32          2HG2      THR  32   3.698  18.761  -2.480
  229   3HG2  THR  32          3HG2      THR  32   2.724  17.657  -3.450
  230    H    GLY  33           H        GLY  33   1.240  16.122  -3.318
  231   1HA   GLY  33          2HA       GLY  33  -0.374  15.976  -5.687
  232   2HA   GLY  33          1HA       GLY  33   1.266  16.499  -6.021
  233    H    PHE  34           H        PHE  34   2.546  14.979  -4.017
  234    HA   PHE  34           HA       PHE  34   3.110  12.541  -4.944
  235   1HB   PHE  34          2HB       PHE  34   2.658  13.028  -1.999
  236   2HB   PHE  34          1HB       PHE  34   3.789  11.899  -2.740
  237    HD1  PHE  34           1HD      PHE  34   3.515  14.965  -1.160
  238    HD2  PHE  34           2HD      PHE  34   5.491  13.089  -4.423
  239    HE1  PHE  34           1HE      PHE  34   5.258  16.694  -1.094
  240    HE2  PHE  34           2HE      PHE  34   7.237  14.816  -4.365
  241    HZ   PHE  34           HZ       PHE  34   7.121  16.620  -2.700
  242    H    ALA  35           H        ALA  35   2.316  10.555  -4.980
  243    HA   ALA  35           HA       ALA  35  -0.105   9.885  -3.489
  244   1HB   ALA  35          1HB       ALA  35  -1.029   8.748  -5.470
  245   2HB   ALA  35          2HB       ALA  35   0.313   9.357  -6.439
  246   3HB   ALA  35          3HB       ALA  35  -0.853  10.482  -5.741
  247    H    TRP  36           H        TRP  36  -0.241   7.595  -3.047
  248    HA   TRP  36           HA       TRP  36   2.390   6.443  -2.767
  249   1HB   TRP  36          2HB       TRP  36  -0.311   5.318  -1.986
  250   2HB   TRP  36          1HB       TRP  36   1.245   4.580  -1.617
  251    HD1  TRP  36           HD       TRP  36  -1.089   7.365  -0.464
  252    HE1  TRP  36           1HE      TRP  36  -0.253   8.231   1.800
  253    HE3  TRP  36           3HE      TRP  36   3.413   4.970  -0.307
  254    HZ2  TRP  36           2HZ      TRP  36   1.995   7.913   3.464
  255    HZ3  TRP  36           3HZ      TRP  36   4.862   5.302   1.647
  256    HH2  TRP  36           HH       TRP  36   4.164   6.741   3.511
  257    H    TYR  37           H        TYR  37   3.335   5.337  -4.311
  258    HA   TYR  37           HA       TYR  37   1.932   3.098  -5.462
  259   1HB   TYR  37          2HB       TYR  37   2.985   3.707  -7.760
  260   2HB   TYR  37          1HB       TYR  37   1.452   4.423  -7.294
  261    HD1  TYR  37           1HD      TYR  37   4.893   5.405  -6.209
  262    HD2  TYR  37           2HD      TYR  37   1.446   6.409  -8.456
  263    HE1  TYR  37           1HE      TYR  37   5.785   7.649  -6.553
  264    HE2  TYR  37           2HE      TYR  37   2.333   8.650  -8.825
  265    HH   TYR  37           HH       TYR  37   5.514   9.497  -8.151
  266    H    PHE  38           H        PHE  38   3.330   1.407  -6.151
  267    HA   PHE  38           HA       PHE  38   5.351   0.870  -4.401
  268   1HB   PHE  38          2HB       PHE  38   4.455  -0.282  -6.916
  269   2HB   PHE  38          1HB       PHE  38   6.177  -0.485  -6.631
  270    HD1  PHE  38           1HD      PHE  38   2.841  -1.526  -5.691
  271    HD2  PHE  38           2HD      PHE  38   6.955  -1.728  -4.633
  272    HE1  PHE  38           1HE      PHE  38   2.359  -3.411  -4.183
  273    HE2  PHE  38           2HE      PHE  38   6.485  -3.612  -3.127
  274    HZ   PHE  38           HZ       PHE  38   4.195  -4.562  -3.031
  275    H    GLU  39           H        GLU  39   6.173   1.257  -7.833
  276    HA   GLU  39           HA       GLU  39   8.743   2.362  -6.957
  277   1HB   GLU  39          2HB       GLU  39   8.012   1.057  -9.585
  278   2HB   GLU  39          1HB       GLU  39   9.612   1.635  -9.140
  279   1HG   GLU  39          2HG       GLU  39   9.551   0.024  -7.221
  280   2HG   GLU  39          1HG       GLU  39   8.079  -0.642  -7.926
  281    H    GLY  40           H        GLY  40   5.831   3.273  -8.309
  282   1HA   GLY  40          2HA       GLY  40   5.623   5.731  -8.560
  283   2HA   GLY  40          1HA       GLY  40   7.139   5.678  -9.448
  284    H    GLY  41           H        GLY  41   3.734   4.989  -9.534
  285   1HA   GLY  41          2HA       GLY  41   2.312   4.910 -11.360
  286   2HA   GLY  41          1HA       GLY  41   3.705   5.109 -12.418
  287    H    THR  42           H        THR  42   4.621   2.781 -10.408
  288    HA   THR  42           HA       THR  42   3.502   0.586 -12.010
  289    HB   THR  42           HB       THR  42   6.120  -0.087 -11.092
  290    HG1  THR  42           1HG      THR  42   6.260   2.112 -12.878
  291   1HG2  THR  42          1HG2      THR  42   6.530  -0.507 -13.451
  292   2HG2  THR  42          2HG2      THR  42   5.103   0.433 -13.889
  293   3HG2  THR  42          3HG2      THR  42   4.925  -1.082 -13.002
  294    H    LYS  43           H        LYS  43   2.932  -1.200 -10.887
  295    HA   LYS  43           HA       LYS  43   3.832  -1.469  -8.125
  296   1HB   LYS  43          2HB       LYS  43   1.770  -1.337  -7.145
  297   2HB   LYS  43          1HB       LYS  43   1.499  -0.232  -8.464
  298   1HG   LYS  43          2HG       LYS  43   0.705  -3.131  -8.539
  299   2HG   LYS  43          1HG       LYS  43  -0.369  -1.814  -8.067
  300   1HD   LYS  43          2HD       LYS  43  -0.088  -0.784 -10.264
  301   2HD   LYS  43          1HD       LYS  43   1.018  -2.076 -10.738
  302   1HE   LYS  43          2HE       LYS  43  -0.827  -3.702 -10.354
  303   2HE   LYS  43          1HE       LYS  43  -1.909  -2.339 -10.067
  304   1HZ   LYS  43          1HZ       LYS  43  -1.292  -1.539 -12.332
  305   2HZ   LYS  43          2HZ       LYS  43  -2.159  -2.998 -12.315
  306   3HZ   LYS  43          3HZ       LYS  43  -0.484  -3.011 -12.582
  307    H    GLU  44           H        GLU  44   4.071  -3.599  -7.495
  308    HA   GLU  44           HA       GLU  44   2.989  -5.671  -9.265
  309   1HB   GLU  44          2HB       GLU  44   5.111  -6.829  -9.404
  310   2HB   GLU  44          1HB       GLU  44   5.287  -5.194 -10.027
  311   1HG   GLU  44          2HG       GLU  44   6.483  -4.485  -8.139
  312   2HG   GLU  44          1HG       GLU  44   6.004  -5.902  -7.202
  313    H    SER  45           H        SER  45   3.186  -7.855  -8.355
  314    HA   SER  45           HA       SER  45   3.240  -7.839  -5.403
  315   1HB   SER  45          2HB       SER  45   1.880 -10.051  -5.798
  316   2HB   SER  45          1HB       SER  45   1.061  -8.496  -5.913
  317    HG   SER  45           HG       SER  45   2.199  -9.436  -8.267
  318    HA   PRO  46           HA       PRO  46   6.886 -10.167  -5.826
  319   1HB   PRO  46          2HB       PRO  46   6.577 -11.283  -3.166
  320   2HB   PRO  46          1HB       PRO  46   7.633  -9.975  -3.703
  321   1HG   PRO  46          2HG       PRO  46   5.500  -9.579  -2.058
  322   2HG   PRO  46          1HG       PRO  46   6.099  -8.346  -3.185
  323   1HD   PRO  46          2HD       PRO  46   3.781 -10.229  -3.492
  324   2HD   PRO  46          1HD       PRO  46   3.876  -8.496  -3.879
  325    H    ASN  47           H        ASN  47   3.959 -11.757  -5.551
  326    HA   ASN  47           HA       ASN  47   5.115 -14.271  -6.362
  327   1HB   ASN  47          2HB       ASN  47   3.783 -15.549  -4.649
  328   2HB   ASN  47          1HB       ASN  47   5.175 -14.682  -4.020
  329   1HD2  ASN  47          1HD2      ASN  47   2.933 -15.646  -2.557
  330   2HD2  ASN  47          2HD2      ASN  47   2.153 -14.286  -1.841
  331    H    GLU  48           H        GLU  48   3.988 -13.227  -8.197
  332    HA   GLU  48           HA       GLU  48   1.099 -13.719  -8.142
  333   1HB   GLU  48          2HB       GLU  48   1.019 -12.127 -10.058
  334   2HB   GLU  48          1HB       GLU  48   1.598 -11.430  -8.552
  335   1HG   GLU  48          2HG       GLU  48   3.902 -11.608  -9.360
  336   2HG   GLU  48          1HG       GLU  48   3.305 -12.263 -10.885
  337    H    SER  49           H        SER  49   1.163 -13.410 -11.141
  338    HA   SER  49           HA       SER  49   1.154 -14.706 -12.993
  339   1HB   SER  49          2HB       SER  49   3.220 -16.404 -11.581
  340   2HB   SER  49          1HB       SER  49   2.841 -16.439 -13.303
  341    HG   SER  49           HG       SER  49   4.645 -14.972 -12.184
  342    H    MET  50           H        MET  50  -0.667 -15.058 -10.915
  343    HA   MET  50           HA       MET  50  -2.183 -17.171 -11.815
  344   1HB   MET  50          2HB       MET  50  -2.141 -18.802 -10.031
  345   2HB   MET  50          1HB       MET  50  -0.555 -18.656 -10.759
  346   1HG   MET  50          2HG       MET  50   0.181 -17.281  -8.868
  347   2HG   MET  50          1HG       MET  50  -1.419 -17.437  -8.144
  348   1HE   MET  50          1HE       MET  50   0.648 -19.641  -5.734
  349   2HE   MET  50          2HE       MET  50  -0.520 -18.328  -5.891
  350   3HE   MET  50          3HE       MET  50   1.129 -18.116  -6.480
  351    H    PHE  51           H        PHE  51  -1.170 -15.327  -9.092
  352    HA   PHE  51           HA       PHE  51  -3.876 -14.280  -8.731
  353   1HB   PHE  51          2HB       PHE  51  -1.964 -15.393  -6.713
  354   2HB   PHE  51          1HB       PHE  51  -2.931 -13.999  -6.237
  355    HD1  PHE  51           1HD      PHE  51  -3.261 -17.408  -7.713
  356    HD2  PHE  51           2HD      PHE  51  -5.075 -14.314  -5.407
  357    HE1  PHE  51           1HE      PHE  51  -5.166 -18.887  -7.228
  358    HE2  PHE  51           2HE      PHE  51  -6.979 -15.796  -4.920
  359    HZ   PHE  51           HZ       PHE  51  -7.022 -18.084  -5.828
  360    H    THR  52           H        THR  52  -3.573 -11.939  -7.593
  361    HA   THR  52           HA       THR  52  -1.184 -10.711  -8.677
  362    HB   THR  52           HB       THR  52  -2.664 -11.183 -10.650
  363    HG1  THR  52           1HG      THR  52  -2.008  -9.354 -11.582
  364   1HG2  THR  52          1HG2      THR  52  -4.834 -10.775  -9.621
  365   2HG2  THR  52          2HG2      THR  52  -4.599  -9.708 -11.006
  366   3HG2  THR  52          3HG2      THR  52  -4.414  -9.081  -9.370
  367    H    VAL  53           H        VAL  53  -1.243  -8.338  -8.571
  368    HA   VAL  53           HA       VAL  53  -2.657  -7.435  -6.171
  369    HB   VAL  53           HB       VAL  53  -0.252  -7.214  -6.013
  370   1HG1  VAL  53          1HG1      VAL  53  -0.409  -5.583  -8.543
  371   2HG1  VAL  53          2HG1      VAL  53   0.279  -7.199  -8.389
  372   3HG1  VAL  53          3HG1      VAL  53   1.038  -5.835  -7.565
  373   1HG2  VAL  53          1HG2      VAL  53  -1.552  -5.426  -4.989
  374   2HG2  VAL  53          2HG2      VAL  53  -1.531  -4.524  -6.507
  375   3HG2  VAL  53          3HG2      VAL  53  -0.029  -4.799  -5.624
  376    H    GLU  54           H        GLU  54  -4.127  -5.921  -6.276
  377    HA   GLU  54           HA       GLU  54  -4.573  -4.405  -8.755
  378   1HB   GLU  54          2HB       GLU  54  -6.487  -5.699  -7.815
  379   2HB   GLU  54          1HB       GLU  54  -6.331  -4.783  -6.327
  380   1HG   GLU  54          2HG       GLU  54  -6.749  -2.710  -7.717
  381   2HG   GLU  54          1HG       GLU  54  -7.236  -3.810  -9.008
  382    H    ASN  55           H        ASN  55  -4.902  -2.162  -8.578
  383    HA   ASN  55           HA       ASN  55  -4.079  -0.929  -6.055
  384   1HB   ASN  55          2HB       ASN  55  -2.762   0.762  -7.249
  385   2HB   ASN  55          1HB       ASN  55  -2.090  -0.852  -7.438
  386   1HD2  ASN  55          1HD2      ASN  55  -1.796   1.577  -9.069
  387   2HD2  ASN  55          2HD2      ASN  55  -2.277   1.126 -10.673
  388    H    LYS  56           H        LYS  56  -5.570   0.476  -5.393
  389    HA   LYS  56           HA       LYS  56  -6.909   2.068  -7.430
  390   1HB   LYS  56          2HB       LYS  56  -9.076   1.553  -6.885
  391   2HB   LYS  56          1HB       LYS  56  -8.305   0.001  -6.640
  392   1HG   LYS  56          2HG       LYS  56  -8.585   1.778  -4.289
  393   2HG   LYS  56          1HG       LYS  56 -10.032   1.016  -4.933
  394   1HD   LYS  56          2HD       LYS  56  -8.538  -1.141  -4.846
  395   2HD   LYS  56          1HD       LYS  56  -7.637  -0.204  -3.646
  396   1HE   LYS  56          2HE       LYS  56  -9.264  -1.459  -2.487
  397   2HE   LYS  56          1HE       LYS  56  -9.779   0.224  -2.468
  398   1HZ   LYS  56          1HZ       LYS  56 -11.689  -1.032  -2.962
  399   2HZ   LYS  56          2HZ       LYS  56 -10.880  -2.001  -4.090
  400   3HZ   LYS  56          3HZ       LYS  56 -11.206  -0.378  -4.453
  401    H    TYR  57           H        TYR  57  -6.510   4.066  -7.008
  402    HA   TYR  57           HA       TYR  57  -6.019   4.878  -4.232
  403   1HB   TYR  57          2HB       TYR  57  -5.296   6.577  -6.537
  404   2HB   TYR  57          1HB       TYR  57  -4.533   6.468  -4.970
  405    HD1  TYR  57           1HD      TYR  57  -4.203   5.645  -8.386
  406    HD2  TYR  57           2HD      TYR  57  -3.351   4.180  -4.481
  407    HE1  TYR  57           1HE      TYR  57  -2.487   4.151  -9.320
  408    HE2  TYR  57           2HE      TYR  57  -1.627   2.695  -5.404
  409    HH   TYR  57           HH       TYR  57  -1.140   1.598  -7.594
  410    H    PHE  58           H        PHE  58  -7.533   6.089  -3.278
  411    HA   PHE  58           HA       PHE  58  -9.145   7.837  -5.006
  412   1HB   PHE  58          2HB       PHE  58  -9.933   6.412  -2.467
  413   2HB   PHE  58          1HB       PHE  58 -10.909   7.667  -3.224
  414    HD1  PHE  58           1HD      PHE  58  -9.798   4.210  -3.396
  415    HD2  PHE  58           2HD      PHE  58 -12.010   7.263  -5.373
  416    HE1  PHE  58           1HE      PHE  58 -10.840   2.516  -4.842
  417    HE2  PHE  58           2HE      PHE  58 -13.052   5.570  -6.823
  418    HZ   PHE  58           HZ       PHE  58 -12.490   3.210  -6.564
  419    HA   PRO  59           HA       PRO  59  -7.281  10.908  -2.274
  420   1HB   PRO  59          2HB       PRO  59  -7.053  12.634  -4.523
  421   2HB   PRO  59          1HB       PRO  59  -5.758  11.730  -3.739
  422   1HG   PRO  59          2HG       PRO  59  -6.675  11.285  -6.315
  423   2HG   PRO  59          1HG       PRO  59  -5.767  10.116  -5.337
  424   1HD   PRO  59          2HD       PRO  59  -8.727  10.311  -5.790
  425   2HD   PRO  59          1HD       PRO  59  -7.689   8.869  -5.718
  426    HA   PRO  60           HA       PRO  60 -11.222  12.970  -1.766
  427   1HB   PRO  60          2HB       PRO  60  -9.608  14.732  -0.041
  428   2HB   PRO  60          1HB       PRO  60 -11.038  13.772   0.347
  429   1HG   PRO  60          2HG       PRO  60  -8.646  13.039   1.235
  430   2HG   PRO  60          1HG       PRO  60  -9.808  11.825   0.659
  431   1HD   PRO  60          2HD       PRO  60  -7.439  13.000  -0.753
  432   2HD   PRO  60          1HD       PRO  60  -7.967  11.303  -0.667
  433    H    ASP  61           H        ASP  61  -8.374  15.085  -1.744
  434    HA   ASP  61           HA       ASP  61  -9.527  16.775  -3.821
  435   1HB   ASP  61          2HB       ASP  61  -8.807  17.813  -1.070
  436   2HB   ASP  61          1HB       ASP  61  -9.179  18.825  -2.459
  437    H    SER  62           H        SER  62  -6.990  16.415  -1.419
  438    HA   SER  62           HA       SER  62  -4.757  16.265  -1.579
  439   1HB   SER  62          2HB       SER  62  -4.984  15.347  -3.895
  440   2HB   SER  62          1HB       SER  62  -4.962  16.996  -4.514
  441    HG   SER  62           HG       SER  62  -2.867  17.209  -3.540
  442    H    LYS  63           H        LYS  63  -6.506  19.017  -2.806
  443    HA   LYS  63           HA       LYS  63  -4.491  20.889  -2.000
  444   1HB   LYS  63          2HB       LYS  63  -6.281  22.574  -2.091
  445   2HB   LYS  63          1HB       LYS  63  -6.268  21.588  -3.539
  446   1HG   LYS  63          2HG       LYS  63  -8.524  21.824  -3.066
  447   2HG   LYS  63          1HG       LYS  63  -8.143  20.243  -2.388
  448   1HD   LYS  63          2HD       LYS  63  -8.352  20.969  -0.219
  449   2HD   LYS  63          1HD       LYS  63  -7.915  22.632  -0.624
  450   1HE   LYS  63          2HE       LYS  63 -10.247  22.529   0.006
  451   2HE   LYS  63          1HE       LYS  63 -10.109  22.921  -1.706
  452   1HZ   LYS  63          1HZ       LYS  63 -10.650  20.195  -0.664
  453   2HZ   LYS  63          2HZ       LYS  63 -10.710  20.697  -2.282
  454   3HZ   LYS  63          3HZ       LYS  63 -11.853  21.271  -1.168
  455    H    LEU  64           H        LEU  64  -6.675  18.835  -0.524
  456    HA   LEU  64           HA       LEU  64  -5.715  19.377   2.098
  457   1HB   LEU  64          2HB       LEU  64  -7.642  21.083   1.613
  458   2HB   LEU  64          1HB       LEU  64  -8.682  19.675   1.758
  459    HG   LEU  64           HG       LEU  64  -7.849  19.314   4.055
  460   1HD1  LEU  64          1HD1      LEU  64  -6.460  21.958   3.660
  461   2HD1  LEU  64          2HD1      LEU  64  -5.665  20.390   3.802
  462   3HD1  LEU  64          3HD1      LEU  64  -6.566  21.047   5.169
  463   1HD2  LEU  64          1HD2      LEU  64  -9.050  21.186   5.062
  464   2HD2  LEU  64          2HD2      LEU  64  -9.911  20.552   3.660
  465   3HD2  LEU  64          3HD2      LEU  64  -8.994  22.052   3.527
  466    H    LEU  65           H        LEU  65  -7.983  18.148   3.346
  467    HA   LEU  65           HA       LEU  65  -7.765  15.451   2.245
  468   1HB   LEU  65          2HB       LEU  65  -7.348  16.470   4.878
  469   2HB   LEU  65          1HB       LEU  65  -8.753  15.421   4.920
  470    HG   LEU  65           HG       LEU  65  -6.043  14.605   3.860
  471   1HD1  LEU  65          1HD1      LEU  65  -5.865  13.285   5.916
  472   2HD1  LEU  65          2HD1      LEU  65  -7.362  14.008   6.505
  473   3HD1  LEU  65          3HD1      LEU  65  -5.938  15.016   6.249
  474   1HD2  LEU  65          1HD2      LEU  65  -6.951  12.355   3.893
  475   2HD2  LEU  65          2HD2      LEU  65  -7.935  13.393   2.864
  476   3HD2  LEU  65          3HD2      LEU  65  -8.499  12.965   4.478
  477    H    GLY  66           H        GLY  66  -9.640  14.084   2.736
  478   1HA   GLY  66          2HA       GLY  66 -12.201  15.527   2.679
  479   2HA   GLY  66          1HA       GLY  66 -11.816  14.369   1.424
  480    H    ALA  67           H        ALA  67 -10.838  13.991   4.730
  481    HA   ALA  67           HA       ALA  67 -11.108  12.326   6.237
  482   1HB   ALA  67          1HB       ALA  67 -13.475  12.984   6.256
  483   2HB   ALA  67          2HB       ALA  67 -13.266  11.248   6.498
  484   3HB   ALA  67          3HB       ALA  67 -13.786  11.864   4.929
  485    H    GLY  68           H        GLY  68 -12.662  11.092   3.279
  486   1HA   GLY  68          2HA       GLY  68 -11.456   8.498   3.746
  487   2HA   GLY  68          1HA       GLY  68 -12.623   8.903   2.500
  488    H    GLY  69           H        GLY  69  -9.289   9.984   3.317
  489   1HA   GLY  69          2HA       GLY  69  -8.500   9.753   0.540
  490   2HA   GLY  69          1HA       GLY  69  -7.434  10.080   1.909
  491    H    THR  70           H        THR  70  -7.831   7.869  -0.422
  492    HA   THR  70           HA       THR  70  -6.993   5.654   1.233
  493    HB   THR  70           HB       THR  70  -9.012   4.357  -0.003
  494    HG1  THR  70           1HG      THR  70  -9.729   7.050   0.235
  495   1HG2  THR  70          1HG2      THR  70  -9.245   5.797   2.650
  496   2HG2  THR  70          2HG2      THR  70  -8.359   4.293   2.396
  497   3HG2  THR  70          3HG2      THR  70 -10.111   4.334   2.169
  498    H    GLU  71           H        GLU  71  -5.177   5.561  -0.050
  499    HA   GLU  71           HA       GLU  71  -5.583   4.623  -2.811
  500   1HB   GLU  71          2HB       GLU  71  -3.024   5.496  -1.442
  501   2HB   GLU  71          1HB       GLU  71  -3.195   5.057  -3.135
  502   1HG   GLU  71          2HG       GLU  71  -4.790   6.963  -3.385
  503   2HG   GLU  71          1HG       GLU  71  -4.365   7.450  -1.743
  504    H    HIS  72           H        HIS  72  -5.783   2.440  -2.875
  505    HA   HIS  72           HA       HIS  72  -4.426   0.909  -0.744
  506   1HB   HIS  72          2HB       HIS  72  -6.696  -0.051  -2.452
  507   2HB   HIS  72          1HB       HIS  72  -6.030  -0.830  -1.046
  508    HD1  HIS  72           1HD      HIS  72  -7.937  -0.918   0.482
  509    HD2  HIS  72           2HD      HIS  72  -7.445   2.868  -1.152
  510    HE1  HIS  72           1HE      HIS  72  -9.824   0.452   1.361
  511    HE2  HIS  72           2HE      HIS  72  -9.615   2.685   0.261
  512    H    PHE  73           H        PHE  73  -3.372  -0.948  -1.192
  513    HA   PHE  73           HA       PHE  73  -3.083  -1.767  -4.000
  514   1HB   PHE  73          2HB       PHE  73  -1.091  -1.734  -1.738
  515   2HB   PHE  73          1HB       PHE  73  -0.856  -2.745  -3.163
  516    HD1  PHE  73           1HD      PHE  73   0.239  -1.870  -5.001
  517    HD2  PHE  73           2HD      PHE  73  -1.519   0.776  -2.170
  518    HE1  PHE  73           1HE      PHE  73   1.222   0.048  -6.189
  519    HE2  PHE  73           2HE      PHE  73  -0.536   2.698  -3.348
  520    HZ   PHE  73           HZ       PHE  73   0.852   2.329  -5.355
  521    H    HIS  74           H        HIS  74  -4.258  -3.536  -4.262
  522    HA   HIS  74           HA       HIS  74  -4.770  -5.243  -1.915
  523   1HB   HIS  74          2HB       HIS  74  -6.317  -4.668  -4.434
  524   2HB   HIS  74          1HB       HIS  74  -6.648  -6.108  -3.485
  525    HD1  HIS  74           1HD      HIS  74  -9.056  -5.045  -3.223
  526    HD2  HIS  74           2HD      HIS  74  -5.969  -2.996  -1.316
  527    HE1  HIS  74           1HE      HIS  74 -10.165  -3.492  -1.591
  528    HE2  HIS  74           2HE      HIS  74  -8.262  -2.615  -0.192
  529    H    VAL  75           H        VAL  75  -3.362  -6.946  -1.908
  530    HA   VAL  75           HA       VAL  75  -2.817  -8.119  -4.531
  531    HB   VAL  75           HB       VAL  75  -0.829  -9.107  -3.715
  532   1HG1  VAL  75          1HG1      VAL  75  -0.598  -6.733  -4.125
  533   2HG1  VAL  75          2HG1      VAL  75   0.456  -7.239  -2.802
  534   3HG1  VAL  75          3HG1      VAL  75  -1.046  -6.382  -2.455
  535   1HG2  VAL  75          1HG2      VAL  75  -1.598  -9.998  -1.635
  536   2HG2  VAL  75          2HG2      VAL  75  -1.730  -8.376  -0.946
  537   3HG2  VAL  75          3HG2      VAL  75  -0.141  -9.038  -1.351
  538    H    THR  76           H        THR  76  -4.029  -9.683  -5.046
  539    HA   THR  76           HA       THR  76  -5.298 -11.327  -2.981
  540    HB   THR  76           HB       THR  76  -5.931 -11.250  -5.945
  541    HG1  THR  76           1HG      THR  76  -7.646  -9.810  -5.327
  542   1HG2  THR  76          1HG2      THR  76  -8.087 -12.175  -5.230
  543   2HG2  THR  76          2HG2      THR  76  -7.533 -12.172  -3.557
  544   3HG2  THR  76          3HG2      THR  76  -6.748 -13.213  -4.742
  545    H    VAL  77           H        VAL  77  -3.952 -12.928  -2.516
  546    HA   VAL  77           HA       VAL  77  -2.960 -14.649  -4.615
  547    HB   VAL  77           HB       VAL  77  -1.195 -13.029  -4.617
  548   1HG1  VAL  77          1HG1      VAL  77   0.046 -12.402  -2.593
  549   2HG1  VAL  77          2HG1      VAL  77  -1.075 -13.357  -1.620
  550   3HG1  VAL  77          3HG1      VAL  77  -1.652 -11.939  -2.495
  551   1HG2  VAL  77          1HG2      VAL  77  -0.317 -15.399  -2.961
  552   2HG2  VAL  77          2HG2      VAL  77   0.733 -14.353  -3.920
  553   3HG2  VAL  77          3HG2      VAL  77  -0.469 -15.364  -4.720
  554    H    LYS  78           H        LYS  78  -2.532 -16.704  -3.907
  555    HA   LYS  78           HA       LYS  78  -2.203 -17.062  -1.035
  556   1HB   LYS  78          2HB       LYS  78  -3.182 -19.477  -1.606
  557   2HB   LYS  78          1HB       LYS  78  -4.191 -18.138  -1.096
  558   1HG   LYS  78          2HG       LYS  78  -5.320 -19.136  -2.888
  559   2HG   LYS  78          1HG       LYS  78  -4.590 -17.679  -3.553
  560   1HD   LYS  78          2HD       LYS  78  -4.370 -19.591  -5.067
  561   2HD   LYS  78          1HD       LYS  78  -2.799 -18.995  -4.538
  562   1HE   LYS  78          2HE       LYS  78  -2.816 -21.415  -4.515
  563   2HE   LYS  78          1HE       LYS  78  -2.701 -20.804  -2.868
  564   1HZ   LYS  78          1HZ       LYS  78  -4.979 -21.312  -2.486
  565   2HZ   LYS  78          2HZ       LYS  78  -4.266 -22.687  -3.179
  566   3HZ   LYS  78          3HZ       LYS  78  -5.246 -21.676  -4.124
  567    H    ALA  79           H        ALA  79  -0.100 -17.329  -0.884
  568    HA   ALA  79           HA       ALA  79   1.143 -19.650  -1.951
  569   1HB   ALA  79          1HB       ALA  79   2.053 -16.986  -3.042
  570   2HB   ALA  79          2HB       ALA  79   1.271 -18.273  -3.961
  571   3HB   ALA  79          3HB       ALA  79   2.877 -18.528  -3.279
  572    H    ALA  80           H        ALA  80   2.978 -20.167  -0.822
  573    HA   ALA  80           HA       ALA  80   3.304 -18.776   1.658
  574   1HB   ALA  80          1HB       ALA  80   4.884 -21.074   0.515
  575   2HB   ALA  80          2HB       ALA  80   3.440 -21.204   1.521
  576   3HB   ALA  80          3HB       ALA  80   4.920 -20.514   2.188
  577    H    GLY  81           H        GLY  81   4.114 -16.788   1.359
  578   1HA   GLY  81          2HA       GLY  81   6.958 -16.598   0.846
  579   2HA   GLY  81          1HA       GLY  81   5.943 -15.753  -0.318
  580    H    THR  82           H        THR  82   7.724 -14.323   1.222
  581    HA   THR  82           HA       THR  82   5.975 -13.096   3.248
  582    HB   THR  82           HB       THR  82   8.880 -12.396   2.832
  583    HG1  THR  82           1HG      THR  82   8.124 -14.797   3.404
  584   1HG2  THR  82          1HG2      THR  82   8.688 -11.820   5.242
  585   2HG2  THR  82          2HG2      THR  82   6.974 -12.248   5.176
  586   3HG2  THR  82          3HG2      THR  82   7.584 -10.887   4.230
  587    H    HIS  83           H        HIS  83   5.269 -11.020   2.991
  588    HA   HIS  83           HA       HIS  83   5.679  -9.925   0.298
  589   1HB   HIS  83          2HB       HIS  83   3.315 -10.571   1.237
  590   2HB   HIS  83          1HB       HIS  83   3.467  -9.096   2.172
  591    HD1  HIS  83           1HD      HIS  83   4.209  -6.947   0.484
  592    HD2  HIS  83           2HD      HIS  83   2.002 -10.099  -1.077
  593    HE1  HIS  83           1HE      HIS  83   3.106  -6.027  -1.574
  594    HE2  HIS  83           2HE      HIS  83   1.626  -7.902  -2.395
  595    H    ALA  84           H        ALA  84   7.312  -8.506   0.397
  596    HA   ALA  84           HA       ALA  84   7.397  -6.622   2.640
  597   1HB   ALA  84          1HB       ALA  84   9.487  -7.792   2.155
  598   2HB   ALA  84          2HB       ALA  84   9.653  -6.066   1.837
  599   3HB   ALA  84          3HB       ALA  84   9.448  -7.193   0.497
  600    H    VAL  85           H        VAL  85   6.232  -4.866   2.312
  601    HA   VAL  85           HA       VAL  85   5.755  -4.033  -0.466
  602    HB   VAL  85           HB       VAL  85   4.109  -2.895   1.695
  603   1HG1  VAL  85          1HG1      VAL  85   2.325  -3.259   0.059
  604   2HG1  VAL  85          2HG1      VAL  85   3.461  -4.118  -0.984
  605   3HG1  VAL  85          3HG1      VAL  85   3.696  -2.401  -0.652
  606   1HG2  VAL  85          1HG2      VAL  85   4.304  -5.147   2.538
  607   2HG2  VAL  85          2HG2      VAL  85   3.892  -5.804   0.951
  608   3HG2  VAL  85          3HG2      VAL  85   2.689  -4.896   1.868
  609    H    ASN  86           H        ASN  86   7.083  -2.457  -1.021
  610    HA   ASN  86           HA       ASN  86   7.407  -0.164   0.808
  611   1HB   ASN  86          2HB       ASN  86   9.210  -1.212  -1.388
  612   2HB   ASN  86          1HB       ASN  86   9.383   0.404  -0.722
  613   1HD2  ASN  86          1HD2      ASN  86   8.474  -2.362   1.214
  614   2HD2  ASN  86          2HD2      ASN  86   9.948  -2.447   2.113
  615    H    LEU  87           H        LEU  87   5.861   1.243   0.269
  616    HA   LEU  87           HA       LEU  87   5.283   1.665  -2.594
  617   1HB   LEU  87          2HB       LEU  87   3.637   2.439  -0.179
  618   2HB   LEU  87          1HB       LEU  87   3.190   2.714  -1.851
  619    HG   LEU  87           HG       LEU  87   3.578  -0.024  -0.636
  620   1HD1  LEU  87          1HD1      LEU  87   1.062   1.556  -1.146
  621   2HD1  LEU  87          2HD1      LEU  87   1.710   1.071   0.428
  622   3HD1  LEU  87          3HD1      LEU  87   1.121  -0.153  -0.704
  623   1HD2  LEU  87          1HD2      LEU  87   3.948   0.120  -3.048
  624   2HD2  LEU  87          2HD2      LEU  87   2.351   0.849  -3.242
  625   3HD2  LEU  87          3HD2      LEU  87   2.500  -0.806  -2.647
  626    H    THR  88           H        THR  88   5.698   3.613  -3.482
  627    HA   THR  88           HA       THR  88   7.154   5.444  -1.726
  628    HB   THR  88           HB       THR  88   7.277   5.314  -4.745
  629    HG1  THR  88           1HG      THR  88   8.132   3.407  -4.356
  630   1HG2  THR  88          1HG2      THR  88   8.197   7.343  -3.706
  631   2HG2  THR  88          2HG2      THR  88   9.487   6.345  -4.381
  632   3HG2  THR  88          3HG2      THR  88   9.194   6.351  -2.640
  633    H    TYR  89           H        TYR  89   6.329   7.332  -1.272
  634    HA   TYR  89           HA       TYR  89   3.803   8.136  -2.489
  635   1HB   TYR  89          2HB       TYR  89   4.300   7.959   0.049
  636   2HB   TYR  89          1HB       TYR  89   5.211   9.450  -0.158
  637    HD1  TYR  89           1HD      TYR  89   2.351   9.187  -2.286
  638    HD2  TYR  89           2HD      TYR  89   3.631  10.311   1.603
  639    HE1  TYR  89           1HE      TYR  89   0.291  10.490  -1.988
  640    HE2  TYR  89           2HE      TYR  89   1.575  11.613   1.911
  641    HH   TYR  89           HH       TYR  89  -0.939  11.700  -0.579
  642    H    MET  90           H        MET  90   4.566   8.967  -4.503
  643    HA   MET  90           HA       MET  90   6.166  11.448  -4.242
  644   1HB   MET  90          2HB       MET  90   6.434   9.896  -6.754
  645   2HB   MET  90          1HB       MET  90   7.576  10.961  -5.963
  646   1HG   MET  90          2HG       MET  90   8.146   9.270  -4.365
  647   2HG   MET  90          1HG       MET  90   6.932   8.180  -5.041
  648   1HE   MET  90          1HE       MET  90   7.181   8.730  -8.159
  649   2HE   MET  90          2HE       MET  90   7.095   7.092  -7.494
  650   3HE   MET  90          3HE       MET  90   8.369   7.512  -8.643
  651    H    ARG  91           H        ARG  91   6.057  12.734  -6.294
  652    HA   ARG  91           HA       ARG  91   3.324  12.921  -7.199
  653   1HB   ARG  91          2HB       ARG  91   5.711  14.630  -7.123
  654   2HB   ARG  91          1HB       ARG  91   4.894  14.691  -8.680
  655   1HG   ARG  91          2HG       ARG  91   2.830  15.381  -7.622
  656   2HG   ARG  91          1HG       ARG  91   3.555  15.178  -6.027
  657   1HD   ARG  91          2HD       ARG  91   4.650  17.082  -8.084
  658   2HD   ARG  91          1HD       ARG  91   3.420  17.547  -6.911
  659    HE   ARG  91           HE       ARG  91   5.844  16.378  -5.824
  660   1HH1  ARG  91          1HH1      ARG  91   4.101  19.290  -6.649
  661   2HH1  ARG  91          2HH1      ARG  91   4.979  20.295  -5.530
  662   1HH2  ARG  91          1HH2      ARG  91   7.022  17.704  -4.340
  663   2HH2  ARG  91          2HH2      ARG  91   6.636  19.391  -4.226
  664    HA   PRO  92           HA       PRO  92   3.970   9.647 -10.039
  665   1HB   PRO  92          2HB       PRO  92   1.966  10.680 -11.823
  666   2HB   PRO  92          1HB       PRO  92   1.816   9.372 -10.650
  667   1HG   PRO  92          2HG       PRO  92   1.054  12.226 -10.406
  668   2HG   PRO  92          1HG       PRO  92   0.390  10.804  -9.583
  669   1HD   PRO  92          2HD       PRO  92   1.929  12.583  -8.312
  670   2HD   PRO  92          1HD       PRO  92   2.026  10.847  -7.942
  671    H    TRP  93           H        TRP  93   3.890  12.958 -11.319
  672    HA   TRP  93           HA       TRP  93   5.019  12.085 -13.841
  673   1HB   TRP  93          2HB       TRP  93   4.920  14.556 -14.384
  674   2HB   TRP  93          1HB       TRP  93   3.377  13.780 -14.048
  675    HD1  TRP  93           HD       TRP  93   5.754  16.426 -12.683
  676    HE1  TRP  93           1HE      TRP  93   4.574  17.716 -10.790
  677    HE3  TRP  93           3HE      TRP  93   1.586  13.509 -12.203
  678    HZ2  TRP  93           2HZ      TRP  93   2.179  17.517  -9.300
  679    HZ3  TRP  93           3HZ      TRP  93  -0.097  14.122 -10.522
  680    HH2  TRP  93           HH       TRP  93   0.192  16.088  -9.100
  681    H    THR  94           H        THR  94   6.408  12.513 -10.933
  682    HA   THR  94           HA       THR  94   9.004  12.710 -12.036
  683    HB   THR  94           HB       THR  94   8.580  15.060 -12.253
  684    HG1  THR  94           1HG      THR  94  10.655  14.578 -11.550
  685   1HG2  THR  94          1HG2      THR  94   6.758  15.355 -10.684
  686   2HG2  THR  94          2HG2      THR  94   8.050  16.501 -10.327
  687   3HG2  THR  94          3HG2      THR  94   7.847  15.064  -9.325
  688    H    GLY  95           H        GLY  95   7.334  13.526  -8.971
  689   1HA   GLY  95          2HA       GLY  95   7.634  12.745  -6.824
  690   2HA   GLY  95          1HA       GLY  95   8.377  11.314  -7.553
  691    HA   PRO  96           HA       PRO  96  11.685  15.006  -6.939
  692   1HB   PRO  96          2HB       PRO  96  10.392  15.780  -4.364
  693   2HB   PRO  96          1HB       PRO  96  11.263  16.776  -5.528
  694   1HG   PRO  96          2HG       PRO  96   8.619  16.859  -5.406
  695   2HG   PRO  96          1HG       PRO  96   9.464  16.932  -6.964
  696   1HD   PRO  96          2HD       PRO  96   7.962  14.687  -5.724
  697   2HD   PRO  96          1HD       PRO  96   8.146  15.121  -7.434
  698    H    SER  97           H        SER  97  13.421  13.992  -6.313
  699    HA   SER  97           HA       SER  97  13.418  11.534  -5.119
  700   1HB   SER  97          2HB       SER  97  15.219  12.462  -6.552
  701   2HB   SER  97          1HB       SER  97  15.760  13.443  -5.190
  702    HG   SER  97           HG       SER  97  15.495  10.633  -4.965
  703    H    HIS  98           H        HIS  98  13.983  14.645  -3.481
  704    HA   HIS  98           HA       HIS  98  14.206  13.105  -0.975
  705   1HB   HIS  98          2HB       HIS  98  15.493  14.900  -0.015
  706   2HB   HIS  98          1HB       HIS  98  16.231  14.421  -1.536
  707    HD1  HIS  98           1HD      HIS  98  16.526  16.201  -3.295
  708    HD2  HIS  98           2HD      HIS  98  14.164  17.456  -0.104
  709    HE1  HIS  98           1HE      HIS  98  16.211  18.679  -3.609
  710    HE2  HIS  98           2HE      HIS  98  14.725  19.411  -1.703
  711    H    ASP  99           H        ASP  99  11.802  14.218  -2.502
  712    HA   ASP  99           HA       ASP  99  10.729  15.834  -0.269
  713   1HB   ASP  99          2HB       ASP  99  11.164  17.064  -2.443
  714   2HB   ASP  99          1HB       ASP  99   9.923  16.059  -3.174
  715    H    SER 100           H        SER 100  10.685  12.939  -1.688
  716    HA   SER 100           HA       SER 100   7.803  12.480  -1.573
  717   1HB   SER 100          2HB       SER 100   8.518  10.225  -2.537
  718   2HB   SER 100          1HB       SER 100   8.804  11.633  -3.564
  719    HG   SER 100           HG       SER 100  10.702  10.566  -3.615
  720    H    GLU 101           H        GLU 101   6.964  10.698  -0.363
  721    HA   GLU 101           HA       GLU 101   8.631   9.855   1.916
  722   1HB   GLU 101          2HB       GLU 101   6.507  11.115   2.420
  723   2HB   GLU 101          1HB       GLU 101   5.605   9.805   1.675
  724   1HG   GLU 101          2HG       GLU 101   6.334   8.269   3.371
  725   2HG   GLU 101          1HG       GLU 101   7.405   9.484   4.066
  726    H    ARG 102           H        ARG 102   7.796   7.511   2.689
  727    HA   ARG 102           HA       ARG 102   6.856   5.836   0.560
  728   1HB   ARG 102          2HB       ARG 102   9.350   6.147   0.096
  729   2HB   ARG 102          1HB       ARG 102   9.652   5.273   1.590
  730   1HG   ARG 102          2HG       ARG 102   8.645   3.289   0.722
  731   2HG   ARG 102          1HG       ARG 102   8.060   4.146  -0.704
  732   1HD   ARG 102          2HD       ARG 102  10.544   4.642  -1.163
  733   2HD   ARG 102          1HD       ARG 102  10.868   3.362   0.006
  734    HE   ARG 102           HE       ARG 102   9.031   2.574  -2.074
  735   1HH1  ARG 102          1HH1      ARG 102  12.418   2.931  -1.253
  736   2HH1  ARG 102          2HH1      ARG 102  12.950   1.724  -2.390
  737   1HH2  ARG 102          1HH2      ARG 102   9.736   1.034  -3.599
  738   2HH2  ARG 102          2HH2      ARG 102  11.428   0.682  -3.752
  739    H    PHE 103           H        PHE 103   6.133   3.934   1.215
  740    HA   PHE 103           HA       PHE 103   5.872   3.584   4.115
  741   1HB   PHE 103          2HB       PHE 103   3.685   3.507   3.548
  742   2HB   PHE 103          1HB       PHE 103   4.072   3.410   1.835
  743    HD1  PHE 103           1HD      PHE 103   2.950   1.625   4.724
  744    HD2  PHE 103           2HD      PHE 103   4.581   1.207   0.845
  745    HE1  PHE 103           1HE      PHE 103   2.170  -0.693   4.665
  746    HE2  PHE 103           2HE      PHE 103   3.812  -1.128   0.773
  747    HZ   PHE 103           HZ       PHE 103   2.680  -2.103   2.776
  748    H    THR 104           H        THR 104   5.707   1.298   4.849
  749    HA   THR 104           HA       THR 104   6.767  -0.775   3.226
  750    HB   THR 104           HB       THR 104   8.561   0.422   5.349
  751    HG1  THR 104           1HG      THR 104   8.472   0.845   2.796
  752   1HG2  THR 104          1HG2      THR 104  10.068  -1.479   4.925
  753   2HG2  THR 104          2HG2      THR 104   8.820  -2.218   3.917
  754   3HG2  THR 104          3HG2      THR 104   8.533  -1.976   5.643
  755    H    VAL 105           H        VAL 105   5.068  -2.120   3.959
  756    HA   VAL 105           HA       VAL 105   5.393  -2.796   6.806
  757    HB   VAL 105           HB       VAL 105   3.050  -2.262   6.214
  758   1HG1  VAL 105          1HG1      VAL 105   1.781  -3.755   4.761
  759   2HG1  VAL 105          2HG1      VAL 105   3.253  -4.650   4.383
  760   3HG1  VAL 105          3HG1      VAL 105   3.088  -2.970   3.874
  761   1HG2  VAL 105          1HG2      VAL 105   3.615  -3.886   7.983
  762   2HG2  VAL 105          2HG2      VAL 105   3.463  -5.186   6.803
  763   3HG2  VAL 105          3HG2      VAL 105   2.057  -4.207   7.225
  764    H    TYR 106           H        TYR 106   6.138  -4.735   7.345
  765    HA   TYR 106           HA       TYR 106   6.756  -6.619   5.179
  766   1HB   TYR 106          2HB       TYR 106   7.767  -6.494   8.024
  767   2HB   TYR 106          1HB       TYR 106   8.237  -7.708   6.846
  768    HD1  TYR 106           1HD      TYR 106   9.561  -6.994   4.831
  769    HD2  TYR 106           2HD      TYR 106   8.836  -4.398   8.122
  770    HE1  TYR 106           1HE      TYR 106  11.382  -5.528   4.070
  771    HE2  TYR 106           2HE      TYR 106  10.660  -2.929   7.372
  772    HH   TYR 106           HH       TYR 106  12.056  -3.173   4.297
  773    H    LEU 107           H        LEU 107   4.984  -7.870   4.921
  774    HA   LEU 107           HA       LEU 107   4.050  -9.227   7.330
  775   1HB   LEU 107          2HB       LEU 107   1.752  -9.190   6.601
  776   2HB   LEU 107          1HB       LEU 107   2.368  -7.568   6.740
  777    HG   LEU 107           HG       LEU 107   0.912  -7.630   4.880
  778   1HD1  LEU 107          1HD1      LEU 107   2.866  -6.276   4.529
  779   2HD1  LEU 107          2HD1      LEU 107   2.328  -6.997   3.011
  780   3HD1  LEU 107          3HD1      LEU 107   3.731  -7.657   3.854
  781   1HD2  LEU 107          1HD2      LEU 107   1.191  -9.116   2.966
  782   2HD2  LEU 107          2HD2      LEU 107   0.837  -9.998   4.452
  783   3HD2  LEU 107          3HD2      LEU 107   2.482  -9.962   3.817
  784    H    LYS 108           H        LYS 108   3.364 -11.381   7.051
  785    HA   LYS 108           HA       LYS 108   4.789 -12.572   4.781
  786   1HB   LYS 108          2HB       LYS 108   5.594 -13.210   6.996
  787   2HB   LYS 108          1HB       LYS 108   3.986 -13.756   7.435
  788   1HG   LYS 108          2HG       LYS 108   4.204 -15.709   6.380
  789   2HG   LYS 108          1HG       LYS 108   5.028 -14.975   5.000
  790   1HD   LYS 108          2HD       LYS 108   7.113 -14.940   6.202
  791   2HD   LYS 108          1HD       LYS 108   6.318 -15.476   7.683
  792   1HE   LYS 108          2HE       LYS 108   6.502 -17.076   5.131
  793   2HE   LYS 108          1HE       LYS 108   7.552 -17.279   6.532
  794   1HZ   LYS 108          1HZ       LYS 108   5.919 -18.902   6.773
  795   2HZ   LYS 108          2HZ       LYS 108   4.664 -17.867   6.311
  796   3HZ   LYS 108          3HZ       LYS 108   5.409 -17.665   7.819
  797    H    ALA 109           H        ALA 109   3.651 -13.454   3.208
  798    HA   ALA 109           HA       ALA 109   0.757 -13.689   3.610
  799   1HB   ALA 109          1HB       ALA 109   2.367 -13.353   1.081
  800   2HB   ALA 109          2HB       ALA 109   1.464 -12.089   1.915
  801   3HB   ALA 109          3HB       ALA 109   0.608 -13.440   1.171
  802    H    ASN 110           H        ASN 110  -0.122 -15.623   3.666
  803    HA   ASN 110           HA       ASN 110   0.485 -17.817   2.102
  804   1HB   ASN 110          2HB       ASN 110   1.759 -19.295   3.595
  805   2HB   ASN 110          1HB       ASN 110   2.690 -17.872   3.166
  806   1HD2  ASN 110          1HD2      ASN 110   1.584 -16.051   5.026
  807   2HD2  ASN 110          2HD2      ASN 110   2.027 -16.562   6.614