*HEADER    DNA BINDING PROTEIN                     05-AUG-04   1U85              
*TITLE     ARG326-TRP MUTANT OF THE THIRD ZINC FINGER OF BKLF                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: KRUPPEL-LIKE FACTOR 3;                                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: THIRD ZINC FINGER;                                         
*COMPND   5 SYNONYM: BASIC KRUPPEL-LIKE FACTOR, KLF3, CACCC-BOX                  
*COMPND   6 BINDING PROTEIN BKLF, TEF-2;                                         
*COMPND   7 ENGINEERED: YES;                                                     
*COMPND   8 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
*SOURCE   3 ORGANISM_COMMON: MOUSE;                                              
*SOURCE   4 GENE: BKLF;                                                          
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);                                
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PGEX-2T                                   
*KEYWDS    ZINC FINGER, KRUPPEL-LIKE                                             
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    E.D.CRAM, J.P.MACKAY, J.M.MATTHEWS                                    
*REVDAT   1   23-AUG-05 1U85    0                                                

 ASSI {    2}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      2.800     1.000     1.000 peak     2 spectrum    1 weight  0.10000E+01 volume  0.19693E-02 ppm1      4.748 ppm2      9.764 CV     1
 ASSI {    3}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      2.400     0.700     0.700 peak     3 spectrum    1 weight  0.10000E+01 volume  0.49762E-02 ppm1      4.788 ppm2      9.336 CV     1
 ASSI {    4}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
      2.200     0.600     0.600 peak     4 spectrum    1 weight  0.10000E+01 volume  0.89155E-02 ppm1      2.070 ppm2      9.336 CV     1
 ASSI {    5}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 12   and name HN  ))
      2.300     0.600     0.600 peak     5 spectrum    1 weight  0.10000E+01 volume  0.70082E-02 ppm1      1.388 ppm2      9.335 CV     1
 ASSI {    6}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      2.600     0.900     0.900 peak     6 spectrum    1 weight  0.10000E+01 volume  0.29614E-02 ppm1      4.793 ppm2      9.070 CV     1
 ASSI {    7}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 10   and name HN  ))
      2.300     0.600     0.600 peak     7 spectrum    1 weight  0.10000E+01 volume  0.70690E-02 ppm1      3.646 ppm2      9.070 CV     1
 ASSI {    8}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB3 ))
      2.800     1.000     1.000 peak     8 spectrum    1 weight  0.10000E+01 volume  0.18727E-02 ppm1      4.793 ppm2      3.647 CV     1
 ASSI {    9}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      2.400     0.700     0.700 peak     9 spectrum    1 weight  0.10000E+01 volume  0.55682E-02 ppm1      4.309 ppm2      8.862 CV     1
 ASSI {   10}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HN  ))
      2.400     0.700     0.700 peak    10 spectrum    1 weight  0.10000E+01 volume  0.46114E-02 ppm1      2.731 ppm2      8.863 CV     1
 ASSI {   11}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 21   and name HN  ))
      2.500     0.800     0.800 peak    11 spectrum    1 weight  0.10000E+01 volume  0.35969E-02 ppm1      2.600 ppm2      8.862 CV     1
 ASSI {   12}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HB3 ))
      2.300     0.700     0.700 peak    12 spectrum    1 weight  0.10000E+01 volume  0.64002E-02 ppm1      4.305 ppm2      2.598 CV     1
 ASSI {   13}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HB2 ))
      2.100     2.100     3.900 peak    13 spectrum    1 weight  0.10000E+01 volume  0.12180E-01 ppm1      4.304 ppm2      2.738 CV     1
 ASSI {   15}
   (( segid "    " and resid 2    and name HB3 ))
   (( segid "    " and resid 2    and name HN  ))
      4.100     2.100     2.100 peak    15 spectrum    1 weight  0.10000E+01 volume  0.20260E-03 ppm1      3.876 ppm2      8.821 CV     1
 OR {   15}
   (( segid "    " and resid 2    and name HB2 ))
   (( segid "    " and resid 2    and name HN  ))
 ASSI {   19}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      2.600     2.600     3.400 peak    19 spectrum    1 weight  0.10000E+01 volume  0.30567E-02 ppm1      2.858 ppm2      8.665 CV     1
 ASSI {   23}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      2.500     0.800     0.800 peak    23 spectrum    1 weight  0.10000E+01 volume  0.36545E-02 ppm1      3.113 ppm2      8.605 CV     1
 ASSI {   24}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      2.600     0.900     0.900 peak    24 spectrum    1 weight  0.10000E+01 volume  0.29591E-02 ppm1      4.307 ppm2      8.602 CV     1
 ASSI {   27}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB3 ))
      2.400     0.700     0.700 peak    27 spectrum    1 weight  0.10000E+01 volume  0.45474E-02 ppm1      4.314 ppm2      2.074 CV     1
 OR {   27}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB2 ))
 ASSI {   30}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 9    and name HN  ))
      2.100     0.600     0.600 peak    30 spectrum    1 weight  0.10000E+01 volume  0.97699E-02 ppm1      2.073 ppm2      8.602 CV     1
 OR {   30}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HN  ))
 ASSI {   32}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      2.300     0.700     0.700 peak    32 spectrum    1 weight  0.10000E+01 volume  0.57730E-02 ppm1      4.597 ppm2      8.302 CV     1
 ASSI {   33}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
      2.100     2.100     3.900 peak    33 spectrum    1 weight  0.10000E+01 volume  0.10810E-01 ppm1      2.703 ppm2      8.302 CV     1
 ASSI {   34}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB3 ))
      2.000     0.500     0.500 peak    34 spectrum    1 weight  0.10000E+01 volume  0.12676E-01 ppm1      4.600 ppm2      2.704 CV     1
 OR {   34}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
 ASSI {   35}
   (( segid "    " and resid 15   and name HD1 ))
   (( segid "    " and resid 15   and name HE1 ))
      2.200     0.600     0.600 peak    35 spectrum    1 weight  0.10000E+01 volume  0.83427E-02 ppm1      7.777 ppm2     10.240 CV     1
 ASSI {   36}
   (( segid "    " and resid 15   and name HZ2 ))
   (( segid "    " and resid 15   and name HE1 ))
      2.600     0.900     0.900 peak    36 spectrum    1 weight  0.10000E+01 volume  0.28939E-02 ppm1      7.566 ppm2     10.240 CV     1
 ASSI {   38}
   (( segid "    " and resid 4    and name HA2 ))
   (( segid "    " and resid 4    and name HN  ))
      2.200     0.600     0.600 peak    38 spectrum    1 weight  0.10000E+01 volume  0.86755E-02 ppm1      3.931 ppm2      8.503 CV     1
 OR {   38}
   (( segid "    " and resid 4    and name HA1 ))
   (( segid "    " and resid 4    and name HN  ))
 ASSI {   39}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      2.600     0.900     0.900 peak    39 spectrum    1 weight  0.10000E+01 volume  0.29403E-02 ppm1      4.498 ppm2      8.506 CV     1
 ASSI {   40}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HN  ))
      2.200     0.600     0.600 peak    40 spectrum    1 weight  0.10000E+01 volume  0.73987E-02 ppm1      1.537 ppm2      8.505 CV     1
 ASSI {   41}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HN  ))
      3.200     1.200     1.200 peak    41 spectrum    1 weight  0.10000E+01 volume  0.95555E-03 ppm1      4.395 ppm2      8.425 CV     1
 ASSI {   42}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      2.700     0.900     0.900 peak    42 spectrum    1 weight  0.10000E+01 volume  0.24833E-02 ppm1      4.405 ppm2      8.286 CV     1
 ASSI {   44}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 32   and name HN  ))
      2.900     1.000     1.000 peak    44 spectrum    1 weight  0.10000E+01 volume  0.16641E-02 ppm1      1.599 ppm2      8.285 CV     1
 ASSI {   45}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      2.500     0.800     0.800 peak    45 spectrum    1 weight  0.10000E+01 volume  0.38337E-02 ppm1      4.696 ppm2      8.226 CV     1
 ASSI {   46}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HN  ))
      2.200     0.600     0.600 peak    46 spectrum    1 weight  0.10000E+01 volume  0.87107E-02 ppm1      3.029 ppm2      8.226 CV     1
 ASSI {   47}
   (( segid "    " and resid 19   and name HD2 ))
   (( segid "    " and resid 19   and name HE  ))
      2.600     0.800     0.800 peak    47 spectrum    1 weight  0.10000E+01 volume  0.33281E-02 ppm1      3.151 ppm2      8.120 CV     1
 ASSI {   49}
   (( segid "    " and resid 19   and name HD3 ))
   (( segid "    " and resid 19   and name HE  ))
      2.500     0.800     0.800 peak    49 spectrum    1 weight  0.10000E+01 volume  0.42497E-02 ppm1      2.605 ppm2      8.120 CV     1
 ASSI {   51}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      2.600     0.800     0.800 peak    51 spectrum    1 weight  0.10000E+01 volume  0.33985E-02 ppm1      4.047 ppm2      8.089 CV     1
 ASSI {   52}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 5    and name HN  ))
      2.300     0.700     0.700 peak    52 spectrum    1 weight  0.10000E+01 volume  0.65602E-02 ppm1      1.783 ppm2      8.088 CV     1
 ASSI {   55}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      2.300     0.700     0.700 peak    55 spectrum    1 weight  0.10000E+01 volume  0.58818E-02 ppm1      3.969 ppm2      7.966 CV     1
 ASSI {   56}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 24   and name HN  ))
      2.000     0.500     0.500 peak    56 spectrum    1 weight  0.10000E+01 volume  0.16109E-01 ppm1      1.433 ppm2      7.966 CV     1
 ASSI {   57}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 24   and name HB% )
      2.000     0.500     0.500 peak    57 spectrum    1 weight  0.10000E+01 volume  0.12698E-01 ppm1      3.969 ppm2      1.433 CV     1
 ASSI {   58}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HB  ))
      2.400     0.700     0.700 peak    58 spectrum    1 weight  0.10000E+01 volume  0.49282E-02 ppm1      4.049 ppm2      1.787 CV     1
 ASSI {   63}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      2.800     1.000     1.000 peak    63 spectrum    1 weight  0.10000E+01 volume  0.20775E-02 ppm1      4.933 ppm2      7.890 CV     1
 ASSI {   64}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      3.100     1.200     1.200 peak    64 spectrum    1 weight  0.10000E+01 volume  0.10244E-02 ppm1      4.047 ppm2      7.745 CV     1
 ASSI {   65}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB  ))
      3.400     1.500     1.500 peak    65 spectrum    1 weight  0.10000E+01 volume  0.55906E-03 ppm1      4.046 ppm2      2.082 CV     1
 ASSI {   66}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 33   and name HN  ))
      3.100     1.200     1.200 peak    66 spectrum    1 weight  0.10000E+01 volume  0.10269E-02 ppm1      2.080 ppm2      7.740 CV     1
 ASSI {   67}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      2.800     0.900     0.900 peak    67 spectrum    1 weight  0.10000E+01 volume  0.21668E-02 ppm1      5.164 ppm2      7.712 CV     1
 ASSI {   68}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HN  ))
      3.000     1.100     1.100 peak    68 spectrum    1 weight  0.10000E+01 volume  0.13034E-02 ppm1      3.591 ppm2      7.711 CV     1
 ASSI {   69}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
      3.100     1.200     1.200 peak    69 spectrum    1 weight  0.10000E+01 volume  0.10407E-02 ppm1      3.789 ppm2      7.711 CV     1
 ASSI {   70}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB3 ))
      2.400     0.700     0.700 peak    70 spectrum    1 weight  0.10000E+01 volume  0.54658E-02 ppm1      5.164 ppm2      3.593 CV     1
 ASSI {   71}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.400     0.700     0.700 peak    71 spectrum    1 weight  0.10000E+01 volume  0.55202E-02 ppm1      5.164 ppm2      3.795 CV     1
 ASSI {   72}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      2.200     0.600     0.600 peak    72 spectrum    1 weight  0.10000E+01 volume  0.91651E-02 ppm1      4.040 ppm2      7.662 CV     1
 ASSI {   77}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      2.400     0.700     0.700 peak    77 spectrum    1 weight  0.10000E+01 volume  0.54242E-02 ppm1      4.475 ppm2      7.583 CV     1
 ASSI {   78}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
      2.300     2.300     3.700 peak    78 spectrum    1 weight  0.10000E+01 volume  0.67586E-02 ppm1      2.030 ppm2      7.582 CV     1
 ASSI {   83}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HN  ))
      2.000     0.500     0.500 peak    83 spectrum    1 weight  0.10000E+01 volume  0.16084E-01 ppm1      1.646 ppm2      7.502 CV     1
 ASSI {   84}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 25   and name HN  ))
      2.300     2.300     3.700 peak    84 spectrum    1 weight  0.10000E+01 volume  0.56578E-02 ppm1      1.553 ppm2      7.502 CV     1
 ASSI {   85}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
      2.300     0.700     0.700 peak    85 spectrum    1 weight  0.10000E+01 volume  0.60418E-02 ppm1      4.029 ppm2      1.649 CV     1
 ASSI {   86}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB3 ))
      2.100     0.600     0.600 peak    86 spectrum    1 weight  0.10000E+01 volume  0.10023E-01 ppm1      4.037 ppm2      1.540 CV     1
 ASSI {   87}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      2.800     1.000     1.000 peak    87 spectrum    1 weight  0.10000E+01 volume  0.20721E-02 ppm1      4.612 ppm2      7.432 CV     1
 ASSI {   88}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HB3 ))
      2.900     1.100     1.100 peak    88 spectrum    1 weight  0.10000E+01 volume  0.15085E-02 ppm1      4.612 ppm2      1.062 CV     1
 ASSI {   89}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 19   and name HN  ))
      2.800     1.000     1.000 peak    89 spectrum    1 weight  0.10000E+01 volume  0.17873E-02 ppm1      1.059 ppm2      7.430 CV     1
 ASSI {   90}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      2.400     0.700     0.700 peak    90 spectrum    1 weight  0.10000E+01 volume  0.55330E-02 ppm1      4.726 ppm2      7.395 CV     1
 ASSI {   91}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      2.300     0.700     0.700 peak    91 spectrum    1 weight  0.10000E+01 volume  0.63842E-02 ppm1      4.726 ppm2      3.299 CV     1
 ASSI {   92}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB3 ))
      2.400     0.700     0.700 peak    92 spectrum    1 weight  0.10000E+01 volume  0.49570E-02 ppm1      4.725 ppm2      3.156 CV     1
 ASSI {   94}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      2.600     0.900     0.900 peak    94 spectrum    1 weight  0.10000E+01 volume  0.29598E-02 ppm1      3.296 ppm2      7.394 CV     1
 ASSI {   95}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 30   and name HN  ))
      2.100     2.100     3.900 peak    95 spectrum    1 weight  0.10000E+01 volume  0.99331E-02 ppm1      3.165 ppm2      7.395 CV     1
 ASSI {   96}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      2.500     0.800     0.800 peak    96 spectrum    1 weight  0.10000E+01 volume  0.35105E-02 ppm1      3.460 ppm2      7.130 CV     1
 ASSI {   97}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 23   and name HN  ))
      2.300     0.700     0.700 peak    97 spectrum    1 weight  0.10000E+01 volume  0.66050E-02 ppm1      1.982 ppm2      7.129 CV     1
 ASSI {   98}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB3 ))
      2.600     0.800     0.800 peak    98 spectrum    1 weight  0.10000E+01 volume  0.31198E-02 ppm1      3.461 ppm2      1.980 CV     1
 ASSI {   99}
   (( segid "    " and resid 29   and name HD2 ))
   (( segid "    " and resid 29   and name HE  ))
      2.600     0.900     0.900 peak    99 spectrum    1 weight  0.10000E+01 volume  0.28702E-02 ppm1      2.868 ppm2      7.064 CV     1
 OR {   99}
   (( segid "    " and resid 29   and name HD3 ))
   (( segid "    " and resid 29   and name HE  ))
 ASSI {  102}
   (( segid "    " and resid 29   and name HG3 ))
   (( segid "    " and resid 29   and name HE  ))
      3.400     1.500     1.500 peak   102 spectrum    1 weight  0.10000E+01 volume  0.59138E-03 ppm1      1.100 ppm2      7.065 CV     1
 ASSI {  103}
   (( segid "    " and resid 29   and name HG2 ))
   (( segid "    " and resid 29   and name HE  ))
      3.200     1.300     1.300 peak   103 spectrum    1 weight  0.10000E+01 volume  0.82051E-03 ppm1      1.297 ppm2      7.066 CV     1
 ASSI {  106}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      2.400     0.700     0.700 peak   106 spectrum    1 weight  0.10000E+01 volume  0.53122E-02 ppm1      4.331 ppm2      7.320 CV     1
 ASSI {  109}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
      2.400     0.700     0.700 peak   109 spectrum    1 weight  0.10000E+01 volume  0.52994E-02 ppm1      3.278 ppm2      7.319 CV     1
 ASSI {  110}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      2.200     0.600     0.600 peak   110 spectrum    1 weight  0.10000E+01 volume  0.83459E-02 ppm1      4.029 ppm2      7.254 CV     1
 ASSI {  111}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 28   and name HN  ))
      2.300     2.300     3.700 peak   111 spectrum    1 weight  0.10000E+01 volume  0.56162E-02 ppm1      1.823 ppm2      7.254 CV     1
 ASSI {  113}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HB3 ))
      2.200     0.600     0.600 peak   113 spectrum    1 weight  0.10000E+01 volume  0.90339E-02 ppm1      4.698 ppm2      3.031 CV     1
 ASSI {  114}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB3 ))
      2.700     0.900     0.900 peak   114 spectrum    1 weight  0.10000E+01 volume  0.22542E-02 ppm1      4.794 ppm2      1.387 CV     1
 ASSI {  115}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
      2.300     0.700     0.700 peak   115 spectrum    1 weight  0.10000E+01 volume  0.57346E-02 ppm1      4.791 ppm2      2.073 CV     1
 ASSI {  116}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HB3 ))
      2.000     0.500     0.500 peak   116 spectrum    1 weight  0.10000E+01 volume  0.13088E-01 ppm1      2.073 ppm2      1.389 CV     1
 ASSI {  117}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HB3 ))
      2.200     0.600     0.600 peak   117 spectrum    1 weight  0.10000E+01 volume  0.80675E-02 ppm1      4.497 ppm2      1.539 CV     1
 OR {  117}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HB2 ))
 ASSI {  118}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB2 ))
      2.600     0.800     0.800 peak   118 spectrum    1 weight  0.10000E+01 volume  0.32065E-02 ppm1      4.410 ppm2      1.664 CV     1
 ASSI {  119}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB3 ))
      2.700     0.900     0.900 peak   119 spectrum    1 weight  0.10000E+01 volume  0.23594E-02 ppm1      4.410 ppm2      1.603 CV     1
 ASSI {  120}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB3 ))
      2.300     0.700     0.700 peak   120 spectrum    1 weight  0.10000E+01 volume  0.59778E-02 ppm1      4.476 ppm2      2.171 CV     1
 ASSI {  121}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
      2.500     0.800     0.800 peak   121 spectrum    1 weight  0.10000E+01 volume  0.36385E-02 ppm1      4.476 ppm2      2.031 CV     1
 ASSI {  122}
   (( segid "    " and resid 17   and name HZ  ))
   (  segid "    " and resid 17   and name HE% )
      2.000     0.500     0.500 peak   122 spectrum    1 weight  0.10000E+01 volume  0.15156E-01 ppm1      6.456 ppm2      6.962 CV     1
 ASSI {  123}
   (( segid "    " and resid 17   and name HZ  ))
   (( segid "    " and resid 15   and name HE3 ))
      2.700     0.900     0.900 peak   123 spectrum    1 weight  0.10000E+01 volume  0.22532E-02 ppm1      6.458 ppm2      7.453 CV     1
 ASSI {  124}
   (  segid "    " and resid 17   and name HE% )
   (  segid "    " and resid 17   and name HD% )
      2.000     0.500     0.500 peak   124 spectrum    1 weight  0.10000E+01 volume  0.16855E-01 ppm1      6.962 ppm2      7.455 CV     1
 ASSI {  126}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 3    and name HN  ))
      3.100     1.200     1.200 peak   126 spectrum    1 weight  0.10000E+01 volume  0.97571E-03 ppm1      1.201 ppm2      8.423 CV     1
 ASSI {  127}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HB  ))
      3.000     1.100     1.100 peak   127 spectrum    1 weight  0.10000E+01 volume  0.14093E-02 ppm1      4.397 ppm2      4.259 CV     1
 ASSI {  129}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 3    and name HG2%)
      2.700     0.900     0.900 peak   129 spectrum    1 weight  0.10000E+01 volume  0.26385E-02 ppm1      4.398 ppm2      1.200 CV     1
 ASSI {  130}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      2.300     0.700     0.700 peak   130 spectrum    1 weight  0.10000E+01 volume  0.61922E-02 ppm1      2.825 ppm2      9.071 CV     1
 ASSI {  131}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 10   and name HB2 ))
      1.900     0.400     0.400 peak   131 spectrum    1 weight  0.10000E+01 volume  0.21422E-01 ppm1      3.647 ppm2      2.829 CV     1
 ASSI {  132}
   (( segid "    " and resid 15   and name HH2 ))
   (( segid "    " and resid 15   and name HZ2 ))
      2.200     0.600     0.600 peak   132 spectrum    1 weight  0.10000E+01 volume  0.73027E-02 ppm1      7.293 ppm2      7.573 CV     1
 ASSI {  133}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 15   and name HN  ))
      2.600     0.800     0.800 peak   133 spectrum    1 weight  0.10000E+01 volume  0.32257E-02 ppm1      2.631 ppm2      9.033 CV     1
 ASSI {  134}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      2.200     0.600     0.600 peak   134 spectrum    1 weight  0.10000E+01 volume  0.83587E-02 ppm1      2.720 ppm2      9.032 CV     1
 ASSI {  135}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      2.500     0.800     0.800 peak   135 spectrum    1 weight  0.10000E+01 volume  0.37953E-02 ppm1      4.111 ppm2      9.032 CV     1
 ASSI {  136}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
      2.800     1.000     1.000 peak   136 spectrum    1 weight  0.10000E+01 volume  0.18458E-02 ppm1      4.162 ppm2      9.764 CV     1
 ASSI {  137}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 18   and name HN  ))
      2.900     1.000     1.000 peak   137 spectrum    1 weight  0.10000E+01 volume  0.16778E-02 ppm1      4.111 ppm2      9.765 CV     1
 ASSI {  139}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 33   and name HN  ))
      3.000     1.100     1.100 peak   139 spectrum    1 weight  0.10000E+01 volume  0.13332E-02 ppm1      0.881 ppm2      7.738 CV     1
 ASSI {  140}
   (( segid "    " and resid 9    and name HE22))
   (( segid "    " and resid 9    and name HE21))
      1.800     0.400     0.400 peak   140 spectrum    1 weight  0.10000E+01 volume  0.29995E-01 ppm1      6.198 ppm2      8.156 CV     1
 ASSI {  142}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 17   and name HB2 ))
      2.000     0.500     0.500 peak   142 spectrum    1 weight  0.10000E+01 volume  0.13764E-01 ppm1      3.743 ppm2      2.863 CV     1
 ASSI {  143}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 17   and name HN  ))
      3.000     1.200     1.200 peak   143 spectrum    1 weight  0.10000E+01 volume  0.11898E-02 ppm1      3.741 ppm2      8.665 CV     1
 ASSI {  144}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HG2 ))
      2.600     0.800     0.800 peak   144 spectrum    1 weight  0.10000E+01 volume  0.31172E-02 ppm1      4.608 ppm2      1.561 CV     1
 ASSI {  145}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HG3 ))
      2.800     1.000     1.000 peak   145 spectrum    1 weight  0.10000E+01 volume  0.19092E-02 ppm1      4.609 ppm2      1.399 CV     1
 ASSI {  146}
   (( segid "    " and resid 19   and name HD2 ))
   (( segid "    " and resid 19   and name HG2 ))
      2.400     0.700     0.700 peak   146 spectrum    1 weight  0.10000E+01 volume  0.50370E-02 ppm1      3.153 ppm2      1.564 CV     1
 ASSI {  147}
   (( segid "    " and resid 19   and name HD2 ))
   (( segid "    " and resid 19   and name HG3 ))
      2.400     0.700     0.700 peak   147 spectrum    1 weight  0.10000E+01 volume  0.53826E-02 ppm1      3.154 ppm2      1.400 CV     1
 ASSI {  148}
   (( segid "    " and resid 19   and name HD3 ))
   (( segid "    " and resid 19   and name HG2 ))
      2.500     0.800     0.800 peak   148 spectrum    1 weight  0.10000E+01 volume  0.37825E-02 ppm1      2.606 ppm2      1.563 CV     1
 ASSI {  149}
   (( segid "    " and resid 19   and name HD3 ))
   (( segid "    " and resid 19   and name HG3 ))
      2.500     0.800     0.800 peak   149 spectrum    1 weight  0.10000E+01 volume  0.37121E-02 ppm1      2.606 ppm2      1.400 CV     1
 ASSI {  150}
   (( segid "    " and resid 19   and name HD2 ))
   (( segid "    " and resid 19   and name HD3 ))
      1.900     0.400     0.400 peak   150 spectrum    1 weight  0.10000E+01 volume  0.22583E-01 ppm1      3.154 ppm2      2.606 CV     1
 ASSI {  151}
   (( segid "    " and resid 19   and name HD2 ))
   (( segid "    " and resid 19   and name HB2 ))
      3.100     1.200     1.200 peak   151 spectrum    1 weight  0.10000E+01 volume  0.10304E-02 ppm1      3.154 ppm2      2.011 CV     1
 ASSI {  152}
   (( segid "    " and resid 19   and name HD3 ))
   (( segid "    " and resid 19   and name HB2 ))
      3.200     1.300     1.300 peak   152 spectrum    1 weight  0.10000E+01 volume  0.80707E-03 ppm1      2.606 ppm2      2.014 CV     1
 ASSI {  153}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HG3 ))
      3.700     1.700     1.700 peak   153 spectrum    1 weight  0.10000E+01 volume  0.34721E-03 ppm1      2.008 ppm2      1.402 CV     1
 ASSI {  154}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HG2 ))
      2.800     1.000     1.000 peak   154 spectrum    1 weight  0.10000E+01 volume  0.18807E-02 ppm1      2.012 ppm2      1.563 CV     1
 ASSI {  156}
   (( segid "    " and resid 19   and name HG2 ))
   (( segid "    " and resid 19   and name HG3 ))
      2.300     0.700     0.700 peak   156 spectrum    1 weight  0.10000E+01 volume  0.57794E-02 ppm1      1.558 ppm2      1.393 CV     1
 ASSI {  157}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HB2 ))
      2.200     2.200     3.800 peak   157 spectrum    1 weight  0.10000E+01 volume  0.92483E-02 ppm1      4.936 ppm2      3.404 CV     1
 ASSI {  158}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HB3 ))
      2.100     0.600     0.600 peak   158 spectrum    1 weight  0.10000E+01 volume  0.95363E-02 ppm1      4.938 ppm2      3.279 CV     1
 ASSI {  159}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 13   and name HN  ))
      3.100     1.200     1.200 peak   159 spectrum    1 weight  0.10000E+01 volume  0.10103E-02 ppm1      3.277 ppm2      7.888 CV     1
 ASSI {  160}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HN  ))
      3.100     1.200     1.200 peak   160 spectrum    1 weight  0.10000E+01 volume  0.10080E-02 ppm1      3.403 ppm2      7.890 CV     1
 ASSI {  161}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HB3 ))
      2.000     0.500     0.500 peak   161 spectrum    1 weight  0.10000E+01 volume  0.15441E-01 ppm1      3.401 ppm2      3.280 CV     1
 ASSI {  163}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 9    and name HN  ))
      2.900     1.100     1.100 peak   163 spectrum    1 weight  0.10000E+01 volume  0.14394E-02 ppm1      2.319 ppm2      8.601 CV     1
 ASSI {  164}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HG3 ))
      2.800     1.000     1.000 peak   164 spectrum    1 weight  0.10000E+01 volume  0.19108E-02 ppm1      4.310 ppm2      2.185 CV     1
 ASSI {  165}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HG2 ))
      2.800     1.000     1.000 peak   165 spectrum    1 weight  0.10000E+01 volume  0.20356E-02 ppm1      4.313 ppm2      2.322 CV     1
 ASSI {  166}
   (( segid "    " and resid 9    and name HG3 ))
   (( segid "    " and resid 9    and name HB2 ))
      2.200     0.600     0.600 peak   166 spectrum    1 weight  0.10000E+01 volume  0.85891E-02 ppm1      2.182 ppm2      2.073 CV     1
 OR {  166}
   (( segid "    " and resid 9    and name HG3 ))
   (( segid "    " and resid 9    and name HB3 ))
 ASSI {  167}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 9    and name HB3 ))
      2.100     0.600     0.600 peak   167 spectrum    1 weight  0.10000E+01 volume  0.10791E-01 ppm1      2.321 ppm2      2.075 CV     1
 OR {  167}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 9    and name HB2 ))
 ASSI {  170}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 6    and name HG3 ))
      2.500     0.800     0.800 peak   170 spectrum    1 weight  0.10000E+01 volume  0.34721E-02 ppm1      1.539 ppm2      1.265 CV     1
 OR {  170}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HG3 ))
 ASSI {  171}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 6    and name HG2 ))
      2.400     0.700     0.700 peak   171 spectrum    1 weight  0.10000E+01 volume  0.48898E-02 ppm1      1.537 ppm2      1.327 CV     1
 OR {  171}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HG2 ))
 ASSI {  172}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HG2 ))
      2.800     1.000     1.000 peak   172 spectrum    1 weight  0.10000E+01 volume  0.21329E-02 ppm1      4.500 ppm2      1.324 CV     1
 ASSI {  173}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HG3 ))
      2.500     0.800     0.800 peak   173 spectrum    1 weight  0.10000E+01 volume  0.38049E-02 ppm1      4.499 ppm2      1.265 CV     1
 ASSI {  174}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 6    and name HN  ))
      2.700     2.700     3.300 peak   174 spectrum    1 weight  0.10000E+01 volume  0.22356E-02 ppm1      1.324 ppm2      8.506 CV     1
 ASSI {  175}
   (( segid "    " and resid 6    and name HG3 ))
   (( segid "    " and resid 6    and name HN  ))
      3.300     1.300     1.300 peak   175 spectrum    1 weight  0.10000E+01 volume  0.77187E-03 ppm1      1.260 ppm2      8.505 CV     1
 ASSI {  176}
   (( segid "    " and resid 6    and name HE2 ))
   (( segid "    " and resid 6    and name HD2 ))
      2.900     1.000     1.000 peak   176 spectrum    1 weight  0.10000E+01 volume  0.16263E-02 ppm1      2.916 ppm2      1.618 CV     1
 OR {  176}
   (( segid "    " and resid 6    and name HE3 ))
   (( segid "    " and resid 6    and name HD2 ))
 ASSI {  177}
   (( segid "    " and resid 6    and name HE3 ))
   (( segid "    " and resid 6    and name HB2 ))
      3.200     1.300     1.300 peak   177 spectrum    1 weight  0.10000E+01 volume  0.89635E-03 ppm1      2.916 ppm2      1.539 CV     1
 OR {  177}
   (( segid "    " and resid 6    and name HE2 ))
   (( segid "    " and resid 6    and name HB2 ))
 OR {  177}
   (( segid "    " and resid 6    and name HE3 ))
   (( segid "    " and resid 6    and name HB3 ))
 ASSI {  178}
   (( segid "    " and resid 6    and name HE3 ))
   (( segid "    " and resid 6    and name HD3 ))
      3.300     1.300     1.300 peak   178 spectrum    1 weight  0.10000E+01 volume  0.79139E-03 ppm1      2.916 ppm2      1.474 CV     1
 OR {  178}
   (( segid "    " and resid 6    and name HE2 ))
   (( segid "    " and resid 6    and name HD3 ))
 ASSI {  179}
   (( segid "    " and resid 6    and name HE3 ))
   (( segid "    " and resid 6    and name HG2 ))
      3.200     1.300     1.300 peak   179 spectrum    1 weight  0.10000E+01 volume  0.90595E-03 ppm1      2.915 ppm2      1.328 CV     1
 OR {  179}
   (( segid "    " and resid 6    and name HE2 ))
   (( segid "    " and resid 6    and name HG2 ))
 ASSI {  180}
   (( segid "    " and resid 6    and name HE2 ))
   (( segid "    " and resid 6    and name HG3 ))
      2.900     1.000     1.000 peak   180 spectrum    1 weight  0.10000E+01 volume  0.17524E-02 ppm1      2.913 ppm2      1.266 CV     1
 OR {  180}
   (( segid "    " and resid 6    and name HE3 ))
   (( segid "    " and resid 6    and name HG3 ))
 ASSI {  182}
   (( segid "    " and resid 6    and name HD3 ))
   (( segid "    " and resid 6    and name HG3 ))
      2.400     0.700     0.700 peak   182 spectrum    1 weight  0.10000E+01 volume  0.45602E-02 ppm1      1.480 ppm2      1.266 CV     1
 ASSI {  183}
   (( segid "    " and resid 6    and name HD3 ))
   (( segid "    " and resid 6    and name HG2 ))
      2.800     1.000     1.000 peak   183 spectrum    1 weight  0.10000E+01 volume  0.19985E-02 ppm1      1.480 ppm2      1.329 CV     1
 ASSI {  184}
   (( segid "    " and resid 6    and name HD2 ))
   (( segid "    " and resid 6    and name HG3 ))
      2.900     1.100     1.100 peak   184 spectrum    1 weight  0.10000E+01 volume  0.15207E-02 ppm1      1.624 ppm2      1.266 CV     1
 ASSI {  185}
   (( segid "    " and resid 6    and name HD2 ))
   (( segid "    " and resid 6    and name HG2 ))
      2.500     0.800     0.800 peak   185 spectrum    1 weight  0.10000E+01 volume  0.40609E-02 ppm1      1.626 ppm2      1.327 CV     1
 ASSI {  188}
   (( segid "    " and resid 6    and name HD2 ))
   (( segid "    " and resid 6    and name HB2 ))
      2.400     0.700     0.700 peak   188 spectrum    1 weight  0.10000E+01 volume  0.50690E-02 ppm1      1.626 ppm2      1.539 CV     1
 OR {  188}
   (( segid "    " and resid 6    and name HD2 ))
   (( segid "    " and resid 6    and name HB3 ))
 ASSI {  189}
   (( segid "    " and resid 6    and name HD2 ))
   (( segid "    " and resid 6    and name HD3 ))
      2.700     0.900     0.900 peak   189 spectrum    1 weight  0.10000E+01 volume  0.21863E-02 ppm1      1.627 ppm2      1.477 CV     1
 ASSI {  190}
   (( segid "    " and resid 6    and name HD3 ))
   (( segid "    " and resid 6    and name HN  ))
      3.800     1.800     1.800 peak   190 spectrum    1 weight  0.10000E+01 volume  0.29771E-03 ppm1      1.476 ppm2      8.507 CV     1
 ASSI {  191}
   (( segid "    " and resid 6    and name HD2 ))
   (( segid "    " and resid 6    and name HN  ))
      3.800     1.800     1.800 peak   191 spectrum    1 weight  0.10000E+01 volume  0.32353E-03 ppm1      1.624 ppm2      8.506 CV     1
 ASSI {  192}
   (( segid "    " and resid 6    and name HE3 ))
   (( segid "    " and resid 6    and name HN  ))
      4.300     2.300     2.000 peak   192 spectrum    1 weight  0.10000E+01 volume  0.15796E-03 ppm1      2.913 ppm2      8.506 CV     1
 OR {  192}
   (( segid "    " and resid 6    and name HE2 ))
   (( segid "    " and resid 6    and name HN  ))
 ASSI {  193}
   (  segid "    " and resid 32   and name HD1%)
   (( segid "    " and resid 32   and name HN  ))
      4.000     2.000     2.000 peak   193 spectrum    1 weight  0.10000E+01 volume  0.24260E-03 ppm1      0.925 ppm2      8.285 CV     1
 ASSI {  194}
   (  segid "    " and resid 32   and name HD2%)
   (( segid "    " and resid 32   and name HN  ))
      3.500     1.500     1.500 peak   194 spectrum    1 weight  0.10000E+01 volume  0.52770E-03 ppm1      0.875 ppm2      8.287 CV     1
 ASSI {  195}
   (( segid "    " and resid 32   and name HB3 ))
   (  segid "    " and resid 32   and name HD1%)
      2.800     1.000     1.000 peak   195 spectrum    1 weight  0.10000E+01 volume  0.18001E-02 ppm1      1.600 ppm2      0.928 CV     1
 ASSI {  196}
   (( segid "    " and resid 32   and name HB3 ))
   (  segid "    " and resid 32   and name HD2%)
      2.700     0.900     0.900 peak   196 spectrum    1 weight  0.10000E+01 volume  0.22522E-02 ppm1      1.603 ppm2      0.873 CV     1
 ASSI {  197}
   (( segid "    " and resid 32   and name HB2 ))
   (  segid "    " and resid 32   and name HD2%)
      2.400     0.700     0.700 peak   197 spectrum    1 weight  0.10000E+01 volume  0.49602E-02 ppm1      1.664 ppm2      0.874 CV     1
 ASSI {  198}
   (( segid "    " and resid 32   and name HB2 ))
   (  segid "    " and resid 32   and name HD1%)
      2.700     0.900     0.900 peak   198 spectrum    1 weight  0.10000E+01 volume  0.24318E-02 ppm1      1.663 ppm2      0.927 CV     1
 ASSI {  200}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 32   and name HD2%)
      2.700     0.900     0.900 peak   200 spectrum    1 weight  0.10000E+01 volume  0.21940E-02 ppm1      4.410 ppm2      0.870 CV     1
 ASSI {  201}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 19   and name HE  ))
      2.800     1.000     1.000 peak   201 spectrum    1 weight  0.10000E+01 volume  0.19485E-02 ppm1      1.058 ppm2      8.120 CV     1
 ASSI {  202}
   (( segid "    " and resid 19   and name HG3 ))
   (( segid "    " and resid 19   and name HE  ))
      3.100     1.200     1.200 peak   202 spectrum    1 weight  0.10000E+01 volume  0.11437E-02 ppm1      1.400 ppm2      8.120 CV     1
 ASSI {  203}
   (( segid "    " and resid 19   and name HG2 ))
   (( segid "    " and resid 19   and name HE  ))
      2.900     1.000     1.000 peak   203 spectrum    1 weight  0.10000E+01 volume  0.16161E-02 ppm1      1.561 ppm2      8.120 CV     1
 ASSI {  204}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HE  ))
      2.500     0.800     0.800 peak   204 spectrum    1 weight  0.10000E+01 volume  0.37185E-02 ppm1      2.010 ppm2      8.120 CV     1
 ASSI {  205}
   (( segid "    " and resid 19   and name HG3 ))
   (( segid "    " and resid 19   and name HN  ))
      3.600     1.600     1.600 peak   205 spectrum    1 weight  0.10000E+01 volume  0.46690E-03 ppm1      1.398 ppm2      7.430 CV     1
 ASSI {  206}
   (( segid "    " and resid 19   and name HG2 ))
   (( segid "    " and resid 19   and name HN  ))
      3.500     1.600     1.600 peak   206 spectrum    1 weight  0.10000E+01 volume  0.48834E-03 ppm1      1.558 ppm2      7.431 CV     1
 ASSI {  208}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HG12))
      3.100     1.200     1.200 peak   208 spectrum    1 weight  0.10000E+01 volume  0.11197E-02 ppm1      4.049 ppm2      1.148 CV     1
 ASSI {  209}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 5    and name HG2%)
      2.200     0.600     0.600 peak   209 spectrum    1 weight  0.10000E+01 volume  0.88227E-02 ppm1      4.040 ppm2      0.864 CV     1
 ASSI {  210}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 5    and name HD1%)
      2.600     0.800     0.800 peak   210 spectrum    1 weight  0.10000E+01 volume  0.30759E-02 ppm1      4.047 ppm2      1.428 CV     1
 ASSI {  211}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 5    and name HN  ))
      3.000     1.100     1.100 peak   211 spectrum    1 weight  0.10000E+01 volume  0.12205E-02 ppm1      0.868 ppm2      8.087 CV     1
 ASSI {  212}
   (( segid "    " and resid 5    and name HG12))
   (( segid "    " and resid 5    and name HN  ))
      3.100     1.200     1.200 peak   212 spectrum    1 weight  0.10000E+01 volume  0.10333E-02 ppm1      1.148 ppm2      8.088 CV     1
 ASSI {  218}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 29   and name HN  ))
      2.700     0.900     0.900 peak   218 spectrum    1 weight  0.10000E+01 volume  0.22718E-02 ppm1      1.539 ppm2      7.663 CV     1
 ASSI {  219}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      2.600     0.900     0.900 peak   219 spectrum    1 weight  0.10000E+01 volume  0.29729E-02 ppm1      1.467 ppm2      7.661 CV     1
 ASSI {  220}
   (( segid "    " and resid 29   and name HG2 ))
   (( segid "    " and resid 29   and name HN  ))
      2.500     0.800     0.800 peak   220 spectrum    1 weight  0.10000E+01 volume  0.39041E-02 ppm1      1.298 ppm2      7.662 CV     1
 ASSI {  221}
   (( segid "    " and resid 29   and name HG3 ))
   (( segid "    " and resid 29   and name HN  ))
      2.600     0.800     0.800 peak   221 spectrum    1 weight  0.10000E+01 volume  0.32289E-02 ppm1      1.099 ppm2      7.662 CV     1
 ASSI {  222}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HE  ))
      3.500     1.500     1.500 peak   222 spectrum    1 weight  0.10000E+01 volume  0.51522E-03 ppm1      1.463 ppm2      7.067 CV     1
 ASSI {  223}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 29   and name HE  ))
      3.300     1.300     1.300 peak   223 spectrum    1 weight  0.10000E+01 volume  0.75715E-03 ppm1      1.533 ppm2      7.066 CV     1
 ASSI {  224}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 28   and name HN  ))
      2.300     2.300     3.700 peak   224 spectrum    1 weight  0.10000E+01 volume  0.59810E-02 ppm1      1.874 ppm2      7.254 CV     1
 ASSI {  225}
   (( segid "    " and resid 28   and name HG2 ))
   (( segid "    " and resid 28   and name HN  ))
      2.300     0.600     0.600 peak   225 spectrum    1 weight  0.10000E+01 volume  0.71619E-02 ppm1      1.697 ppm2      7.254 CV     1
 ASSI {  226}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 28   and name HN  ))
      2.500     0.800     0.800 peak   226 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      1.491 ppm2      7.254 CV     1
 ASSI {  230}
   (( segid "    " and resid 31   and name HG2 ))
   (( segid "    " and resid 31   and name HB2 ))
      3.100     1.200     1.200 peak   230 spectrum    1 weight  0.10000E+01 volume  0.10000E-02 ppm1      2.640 ppm2      2.026 CV     1
 ASSI {  231}
   (( segid "    " and resid 31   and name HG3 ))
   (( segid "    " and resid 31   and name HB2 ))
      3.200     1.300     1.300 peak   231 spectrum    1 weight  0.10000E+01 volume  0.80355E-03 ppm1      2.562 ppm2      2.027 CV     1
 ASSI {  232}
   (( segid "    " and resid 31   and name HG3 ))
   (( segid "    " and resid 31   and name HB3 ))
      3.300     1.400     1.400 peak   232 spectrum    1 weight  0.10000E+01 volume  0.73315E-03 ppm1      2.563 ppm2      2.173 CV     1
 ASSI {  233}
   (( segid "    " and resid 31   and name HG2 ))
   (( segid "    " and resid 31   and name HB3 ))
      3.200     1.300     1.300 peak   233 spectrum    1 weight  0.10000E+01 volume  0.91395E-03 ppm1      2.632 ppm2      2.172 CV     1
 ASSI {  234}
   (( segid "    " and resid 31   and name HG3 ))
   (( segid "    " and resid 31   and name HN  ))
      2.900     1.000     1.000 peak   234 spectrum    1 weight  0.10000E+01 volume  0.16250E-02 ppm1      2.560 ppm2      7.582 CV     1
 ASSI {  235}
   (( segid "    " and resid 31   and name HG2 ))
   (( segid "    " and resid 31   and name HN  ))
      2.700     0.900     0.900 peak   235 spectrum    1 weight  0.10000E+01 volume  0.22145E-02 ppm1      2.637 ppm2      7.582 CV     1
 ASSI {  237}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
      2.200     2.200     3.800 peak   237 spectrum    1 weight  0.10000E+01 volume  0.86339E-02 ppm1      3.188 ppm2      7.499 CV     1
 ASSI {  238}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 26   and name HN  ))
      2.300     0.600     0.600 peak   238 spectrum    1 weight  0.10000E+01 volume  0.67106E-02 ppm1      2.824 ppm2      7.500 CV     1
 ASSI {  239}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HB3 ))
      2.200     2.200     3.800 peak   239 spectrum    1 weight  0.10000E+01 volume  0.82659E-02 ppm1      4.030 ppm2      2.822 CV     1
 ASSI {  240}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HB3 ))
      2.000     0.500     0.500 peak   240 spectrum    1 weight  0.10000E+01 volume  0.13834E-01 ppm1      3.191 ppm2      2.823 CV     1
 ASSI {  241}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HB2 ))
      2.600     0.800     0.800 peak   241 spectrum    1 weight  0.10000E+01 volume  0.30567E-02 ppm1      4.036 ppm2      3.188 CV     1
 ASSI {  242}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
      2.600     0.800     0.800 peak   242 spectrum    1 weight  0.10000E+01 volume  0.30734E-02 ppm1      4.334 ppm2      3.278 CV     1
 ASSI {  243}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB3 ))
      2.300     0.700     0.700 peak   243 spectrum    1 weight  0.10000E+01 volume  0.65186E-02 ppm1      4.335 ppm2      3.121 CV     1
 ASSI {  244}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HB3 ))
      2.000     0.500     0.500 peak   244 spectrum    1 weight  0.10000E+01 volume  0.13248E-01 ppm1      3.280 ppm2      3.121 CV     1
 ASSI {  245}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 22   and name HN  ))
      2.400     2.400     3.600 peak   245 spectrum    1 weight  0.10000E+01 volume  0.43458E-02 ppm1      3.119 ppm2      7.319 CV     1
 ASSI {  246}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HB2 ))
      2.400     0.700     0.700 peak   246 spectrum    1 weight  0.10000E+01 volume  0.45474E-02 ppm1      4.751 ppm2      4.167 CV     1
 ASSI {  247}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HB3 ))
      2.200     0.600     0.600 peak   247 spectrum    1 weight  0.10000E+01 volume  0.75523E-02 ppm1      4.753 ppm2      4.112 CV     1
 ASSI {  248}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
      2.400     0.700     0.700 peak   248 spectrum    1 weight  0.10000E+01 volume  0.53954E-02 ppm1      4.790 ppm2      2.831 CV     1
 ASSI {  249}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HE3 ))
      4.000     2.000     2.000 peak   249 spectrum    1 weight  0.10000E+01 volume  0.23095E-03 ppm1      4.496 ppm2      2.912 CV     1
 OR {  249}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HE2 ))
 ASSI {  251}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HG3 ))
      2.800     0.900     0.900 peak   251 spectrum    1 weight  0.10000E+01 volume  0.21466E-02 ppm1      4.480 ppm2      2.560 CV     1
 ASSI {  252}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HG2 ))
      3.500     1.500     1.500 peak   252 spectrum    1 weight  0.10000E+01 volume  0.54338E-03 ppm1      4.483 ppm2      2.638 CV     1
 ASSI {  253}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB2 ))
      2.500     0.800     0.800 peak   253 spectrum    1 weight  0.10000E+01 volume  0.43234E-02 ppm1      4.112 ppm2      2.721 CV     1
 ASSI {  255}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.100     0.500     0.500 peak   255 spectrum    1 weight  0.10000E+01 volume  0.12458E-01 ppm1      4.669 ppm2      2.363 CV     1
 ASSI {  256}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB3 ))
      2.600     0.900     0.900 peak   256 spectrum    1 weight  0.10000E+01 volume  0.28820E-02 ppm1      4.670 ppm2      2.032 CV     1
 ASSI {  257}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HB3 ))
      1.900     0.500     0.500 peak   257 spectrum    1 weight  0.10000E+01 volume  0.18644E-01 ppm1      2.361 ppm2      2.031 CV     1
 ASSI {  258}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      2.300     0.700     0.700 peak   258 spectrum    1 weight  0.10000E+01 volume  0.62370E-02 ppm1      1.448 ppm2      7.128 CV     1
 ASSI {  259}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB2 ))
      2.300     0.700     0.700 peak   259 spectrum    1 weight  0.10000E+01 volume  0.56962E-02 ppm1      3.462 ppm2      1.451 CV     1
 ASSI {  260}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 23   and name HB2 ))
      2.200     0.600     0.600 peak   260 spectrum    1 weight  0.10000E+01 volume  0.87523E-02 ppm1      1.980 ppm2      1.451 CV     1
 ASSI {  261}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 23   and name HG  ))
      2.300     0.700     0.700 peak   261 spectrum    1 weight  0.10000E+01 volume  0.59298E-02 ppm1      1.981 ppm2      1.645 CV     1
 ASSI {  262}
   (( segid "    " and resid 23   and name HG  ))
   (( segid "    " and resid 23   and name HB2 ))
      2.700     0.900     0.900 peak   262 spectrum    1 weight  0.10000E+01 volume  0.23764E-02 ppm1      1.643 ppm2      1.449 CV     1
 ASSI {  263}
   (( segid "    " and resid 23   and name HG  ))
   (  segid "    " and resid 23   and name HD1%)
      2.400     0.700     0.700 peak   263 spectrum    1 weight  0.10000E+01 volume  0.51234E-02 ppm1      1.644 ppm2      1.195 CV     1
 ASSI {  264}
   (( segid "    " and resid 23   and name HG  ))
   (  segid "    " and resid 23   and name HD2%)
      2.300     0.600     0.600 peak   264 spectrum    1 weight  0.10000E+01 volume  0.70818E-02 ppm1      1.643 ppm2      1.098 CV     1
 ASSI {  265}
   (( segid "    " and resid 23   and name HB3 ))
   (  segid "    " and resid 23   and name HD1%)
      2.600     0.800     0.800 peak   265 spectrum    1 weight  0.10000E+01 volume  0.31867E-02 ppm1      1.983 ppm2      1.198 CV     1
 ASSI {  266}
   (( segid "    " and resid 23   and name HB3 ))
   (  segid "    " and resid 23   and name HD2%)
      2.300     0.600     0.600 peak   266 spectrum    1 weight  0.10000E+01 volume  0.68610E-02 ppm1      1.983 ppm2      1.096 CV     1
 ASSI {  267}
   (( segid "    " and resid 23   and name HB2 ))
   (  segid "    " and resid 23   and name HD1%)
      2.400     0.700     0.700 peak   267 spectrum    1 weight  0.10000E+01 volume  0.44994E-02 ppm1      1.452 ppm2      1.197 CV     1
 ASSI {  268}
   (( segid "    " and resid 23   and name HB2 ))
   (  segid "    " and resid 23   and name HD2%)
      2.300     0.700     0.700 peak   268 spectrum    1 weight  0.10000E+01 volume  0.64162E-02 ppm1      1.452 ppm2      1.101 CV     1
 ASSI {  269}
   (  segid "    " and resid 23   and name HD1%)
   (  segid "    " and resid 23   and name HD2%)
      2.300     0.600     0.600 peak   269 spectrum    1 weight  0.10000E+01 volume  0.68002E-02 ppm1      1.197 ppm2      1.104 CV     1
 ASSI {  270}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 23   and name HD2%)
      3.300     1.300     1.300 peak   270 spectrum    1 weight  0.10000E+01 volume  0.76963E-03 ppm1      3.460 ppm2      1.099 CV     1
 ASSI {  271}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 23   and name HD1%)
      2.300     0.700     0.700 peak   271 spectrum    1 weight  0.10000E+01 volume  0.63234E-02 ppm1      3.462 ppm2      1.200 CV     1
 ASSI {  272}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HG  ))
      2.700     0.900     0.900 peak   272 spectrum    1 weight  0.10000E+01 volume  0.23300E-02 ppm1      3.462 ppm2      1.649 CV     1
 ASSI {  273}
   (( segid "    " and resid 19   and name HD3 ))
   (( segid "    " and resid 19   and name HB3 ))
      2.800     1.000     1.000 peak   273 spectrum    1 weight  0.10000E+01 volume  0.21134E-02 ppm1      2.610 ppm2      1.059 CV     1
 ASSI {  274}
   (( segid "    " and resid 19   and name HD2 ))
   (( segid "    " and resid 19   and name HB3 ))
      3.000     1.200     1.200 peak   274 spectrum    1 weight  0.10000E+01 volume  0.11933E-02 ppm1      3.150 ppm2      1.057 CV     1
 ASSI {  275}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HD2 ))
      3.300     1.300     1.300 peak   275 spectrum    1 weight  0.10000E+01 volume  0.74659E-03 ppm1      4.236 ppm2      3.724 CV     1
 ASSI {  276}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HB3 ))
      1.800     0.400     0.400 peak   276 spectrum    1 weight  0.10000E+01 volume  0.28251E-01 ppm1      2.022 ppm2      1.277 CV     1
 ASSI {  277}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 7    and name HB3 ))
      2.900     1.000     1.000 peak   277 spectrum    1 weight  0.10000E+01 volume  0.16036E-02 ppm1      1.871 ppm2      1.277 CV     1
 ASSI {  278}
   (( segid "    " and resid 7    and name HG3 ))
   (( segid "    " and resid 7    and name HB3 ))
      2.800     1.000     1.000 peak   278 spectrum    1 weight  0.10000E+01 volume  0.20305E-02 ppm1      1.793 ppm2      1.275 CV     1
 ASSI {  279}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 7    and name HG3 ))
      2.100     0.600     0.600 peak   279 spectrum    1 weight  0.10000E+01 volume  0.10896E-01 ppm1      1.874 ppm2      1.795 CV     1
 ASSI {  280}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HG2 ))
      2.200     0.600     0.600 peak   280 spectrum    1 weight  0.10000E+01 volume  0.76067E-02 ppm1      2.022 ppm2      1.875 CV     1
 ASSI {  281}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HG3 ))
      2.700     0.900     0.900 peak   281 spectrum    1 weight  0.10000E+01 volume  0.24577E-02 ppm1      2.020 ppm2      1.795 CV     1
 ASSI {  282}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 7    and name HG2 ))
      2.500     0.800     0.800 peak   282 spectrum    1 weight  0.10000E+01 volume  0.40097E-02 ppm1      3.724 ppm2      1.876 CV     1
 ASSI {  283}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 7    and name HG3 ))
      2.700     0.900     0.900 peak   283 spectrum    1 weight  0.10000E+01 volume  0.24308E-02 ppm1      3.724 ppm2      1.791 CV     1
 ASSI {  284}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 7    and name HB3 ))
      3.300     1.300     1.300 peak   284 spectrum    1 weight  0.10000E+01 volume  0.78275E-03 ppm1      3.722 ppm2      1.275 CV     1
 ASSI {  285}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 7    and name HB2 ))
      3.100     1.200     1.200 peak   285 spectrum    1 weight  0.10000E+01 volume  0.11156E-02 ppm1      3.722 ppm2      2.019 CV     1
 ASSI {  286}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HB2 ))
      2.200     0.600     0.600 peak   286 spectrum    1 weight  0.10000E+01 volume  0.85347E-02 ppm1      4.235 ppm2      2.022 CV     1
 ASSI {  287}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HG2 ))
      2.700     2.700     3.300 peak   287 spectrum    1 weight  0.10000E+01 volume  0.22618E-02 ppm1      4.235 ppm2      1.874 CV     1
 ASSI {  288}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HG3 ))
      3.000     1.100     1.100 peak   288 spectrum    1 weight  0.10000E+01 volume  0.13943E-02 ppm1      4.235 ppm2      1.795 CV     1
 ASSI {  289}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HB3 ))
      2.400     0.700     0.700 peak   289 spectrum    1 weight  0.10000E+01 volume  0.55330E-02 ppm1      4.235 ppm2      1.276 CV     1
 ASSI {  290}
   (( segid "    " and resid 5    and name HG12))
   (  segid "    " and resid 5    and name HG2%)
      2.300     0.600     0.600 peak   290 spectrum    1 weight  0.10000E+01 volume  0.69858E-02 ppm1      1.148 ppm2      0.866 CV     1
 ASSI {  291}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 5    and name HG2%)
      2.500     0.800     0.800 peak   291 spectrum    1 weight  0.10000E+01 volume  0.38721E-02 ppm1      1.423 ppm2      0.865 CV     1
 ASSI {  292}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HG12))
      2.100     0.500     0.500 peak   292 spectrum    1 weight  0.10000E+01 volume  0.12180E-01 ppm1      1.426 ppm2      1.142 CV     1
 ASSI {  293}
   (( segid "    " and resid 5    and name HB  ))
   (  segid "    " and resid 5    and name HG2%)
      2.400     0.700     0.700 peak   293 spectrum    1 weight  0.10000E+01 volume  0.52258E-02 ppm1      1.786 ppm2      0.866 CV     1
 ASSI {  294}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 5    and name HG12))
      3.200     1.300     1.300 peak   294 spectrum    1 weight  0.10000E+01 volume  0.90755E-03 ppm1      1.785 ppm2      1.143 CV     1
 ASSI {  295}
   (( segid "    " and resid 5    and name HB  ))
   (  segid "    " and resid 5    and name HD1%)
      2.500     0.800     0.800 peak   295 spectrum    1 weight  0.10000E+01 volume  0.37409E-02 ppm1      1.785 ppm2      1.429 CV     1
 ASSI {  296}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HD3 ))
      3.200     1.300     1.300 peak   296 spectrum    1 weight  0.10000E+01 volume  0.80643E-03 ppm1      4.236 ppm2      3.667 CV     1
 ASSI {  297}
   (( segid "    " and resid 7    and name HD3 ))
   (( segid "    " and resid 7    and name HB2 ))
      2.900     1.100     1.100 peak   297 spectrum    1 weight  0.10000E+01 volume  0.15309E-02 ppm1      3.669 ppm2      2.022 CV     1
 ASSI {  298}
   (( segid "    " and resid 7    and name HD3 ))
   (( segid "    " and resid 7    and name HG2 ))
      2.600     0.800     0.800 peak   298 spectrum    1 weight  0.10000E+01 volume  0.31480E-02 ppm1      3.669 ppm2      1.875 CV     1
 ASSI {  299}
   (( segid "    " and resid 7    and name HD3 ))
   (( segid "    " and resid 7    and name HG3 ))
      2.600     0.800     0.800 peak   299 spectrum    1 weight  0.10000E+01 volume  0.33569E-02 ppm1      3.669 ppm2      1.792 CV     1
 ASSI {  300}
   (( segid "    " and resid 7    and name HD3 ))
   (( segid "    " and resid 6    and name HG3 ))
      3.500     1.600     1.600 peak   300 spectrum    1 weight  0.10000E+01 volume  0.48674E-03 ppm1      3.670 ppm2      1.265 CV     1
 ASSI {  301}
   (( segid "    " and resid 7    and name HD3 ))
   (( segid "    " and resid 6    and name HB3 ))
      2.600     0.900     0.900 peak   301 spectrum    1 weight  0.10000E+01 volume  0.27905E-02 ppm1      3.670 ppm2      1.538 CV     1
 ASSI {  302}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 6    and name HB3 ))
      2.700     0.900     0.900 peak   302 spectrum    1 weight  0.10000E+01 volume  0.24814E-02 ppm1      3.726 ppm2      1.537 CV     1
 ASSI {  303}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 7    and name HD3 ))
      2.400     0.700     0.700 peak   303 spectrum    1 weight  0.10000E+01 volume  0.52930E-02 ppm1      3.724 ppm2      3.667 CV     1
 ASSI {  305}
   (  segid "    " and resid 8    and name HD% )
   (  segid "    " and resid 8    and name HE% )
      1.800     0.400     0.400 peak   305 spectrum    1 weight  0.10000E+01 volume  0.23860E-01 ppm1      7.179 ppm2      7.399 CV     1
 ASSI {  307}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HE22))
      3.600     1.600     1.600 peak   307 spectrum    1 weight  0.10000E+01 volume  0.41921E-03 ppm1      4.311 ppm2      6.200 CV     1
 ASSI {  308}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HE22))
      3.200     1.300     1.300 peak   308 spectrum    1 weight  0.10000E+01 volume  0.79907E-03 ppm1      2.075 ppm2      6.201 CV     1
 OR {  308}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 9    and name HE22))
 ASSI {  311}
   (( segid "    " and resid 11   and name HD3 ))
   (( segid "    " and resid 11   and name HB3 ))
      2.700     0.900     0.900 peak   311 spectrum    1 weight  0.10000E+01 volume  0.26046E-02 ppm1      4.325 ppm2      2.032 CV     1
 ASSI {  312}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HG3 ))
      3.200     1.300     1.300 peak   312 spectrum    1 weight  0.10000E+01 volume  0.84419E-03 ppm1      4.329 ppm2      2.093 CV     1
 OR {  312}
   (( segid "    " and resid 11   and name HD3 ))
   (( segid "    " and resid 11   and name HG2 ))
 OR {  312}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HG2 ))
 ASSI {  313}
   (( segid "    " and resid 11   and name HD3 ))
   (( segid "    " and resid 11   and name HB2 ))
      2.900     1.100     1.100 peak   313 spectrum    1 weight  0.10000E+01 volume  0.15809E-02 ppm1      4.325 ppm2      2.365 CV     1
 OR {  313}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {  314}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HG3 ))
      2.600     0.900     0.900 peak   314 spectrum    1 weight  0.10000E+01 volume  0.28468E-02 ppm1      4.672 ppm2      2.090 CV     1
 OR {  314}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HG2 ))
 ASSI {  316}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HG3 ))
      2.200     0.600     0.600 peak   316 spectrum    1 weight  0.10000E+01 volume  0.75171E-02 ppm1      2.365 ppm2      2.091 CV     1
 OR {  316}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HG2 ))
 ASSI {  317}
   (( segid "    " and resid 15   and name HZ3 ))
   (( segid "    " and resid 15   and name HZ2 ))
      2.800     2.800     3.200 peak   317 spectrum    1 weight  0.10000E+01 volume  0.18676E-02 ppm1      7.226 ppm2      7.572 CV     1
 ASSI {  318}
   (( segid "    " and resid 15   and name HZ3 ))
   (( segid "    " and resid 15   and name HE3 ))
      2.600     0.800     0.800 peak   318 spectrum    1 weight  0.10000E+01 volume  0.33665E-02 ppm1      7.224 ppm2      7.452 CV     1
 ASSI {  320}
   (( segid "    " and resid 15   and name HE3 ))
   (( segid "    " and resid 15   and name HZ2 ))
      4.200     2.200     2.100 peak   320 spectrum    1 weight  0.10000E+01 volume  0.16397E-03 ppm1      7.456 ppm2      7.572 CV     1
 ASSI {  321}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HB3 ))
      1.900     0.500     0.500 peak   321 spectrum    1 weight  0.10000E+01 volume  0.19828E-01 ppm1      3.796 ppm2      3.592 CV     1
 ASSI {  322}
   (( segid "    " and resid 23   and name HG  ))
   (( segid "    " and resid 23   and name HN  ))
      2.900     2.900     3.100 peak   322 spectrum    1 weight  0.10000E+01 volume  0.16986E-02 ppm1      1.642 ppm2      7.129 CV     1
 ASSI {  323}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HN  ))
      3.200     1.200     1.200 peak   323 spectrum    1 weight  0.10000E+01 volume  0.96035E-03 ppm1      2.010 ppm2      7.430 CV     1
 ASSI {  324}
   (( segid "    " and resid 19   and name HD3 ))
   (( segid "    " and resid 19   and name HN  ))
      4.300     2.300     2.000 peak   324 spectrum    1 weight  0.10000E+01 volume  0.14935E-03 ppm1      2.607 ppm2      7.427 CV     1
 ASSI {  325}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HB2 ))
      2.800     1.000     1.000 peak   325 spectrum    1 weight  0.10000E+01 volume  0.19869E-02 ppm1      4.609 ppm2      2.010 CV     1
 ASSI {  326}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HB3 ))
      2.000     0.500     0.500 peak   326 spectrum    1 weight  0.10000E+01 volume  0.12951E-01 ppm1      2.013 ppm2      1.061 CV     1
 ASSI {  327}
   (( segid "    " and resid 19   and name HG2 ))
   (( segid "    " and resid 19   and name HB3 ))
      2.800     1.000     1.000 peak   327 spectrum    1 weight  0.10000E+01 volume  0.19863E-02 ppm1      1.558 ppm2      1.057 CV     1
 ASSI {  328}
   (( segid "    " and resid 19   and name HG3 ))
   (( segid "    " and resid 19   and name HB3 ))
      2.900     1.100     1.100 peak   328 spectrum    1 weight  0.10000E+01 volume  0.15191E-02 ppm1      1.403 ppm2      1.057 CV     1
 ASSI {  329}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HN  ))
      2.500     0.800     0.800 peak   329 spectrum    1 weight  0.10000E+01 volume  0.41441E-02 ppm1      3.174 ppm2      8.606 CV     1
 ASSI {  330}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HN  ))
      2.500     0.800     0.800 peak   330 spectrum    1 weight  0.10000E+01 volume  0.35585E-02 ppm1      3.472 ppm2      8.607 CV     1
 ASSI {  331}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HA  ))
      2.100     0.600     0.600 peak   331 spectrum    1 weight  0.10000E+01 volume  0.10458E-01 ppm1      3.470 ppm2      3.112 CV     1
 ASSI {  332}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HB3 ))
      1.900     0.500     0.500 peak   332 spectrum    1 weight  0.10000E+01 volume  0.18730E-01 ppm1      3.473 ppm2      3.176 CV     1
 ASSI {  356}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HN  ))
      2.600     0.800     0.800 peak   356 spectrum    1 weight  0.10000E+01 volume  0.31944E-02 ppm1      1.425 ppm2      8.088 CV     1
 ASSI {  358}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HD2 ))
      2.200     0.600     0.600 peak   358 spectrum    1 weight  0.10000E+01 volume  0.78595E-02 ppm1      4.335 ppm2      6.836 CV     1
 ASSI {  359}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HD2 ))
      3.500     1.500     1.500 peak   359 spectrum    1 weight  0.10000E+01 volume  0.54722E-03 ppm1      4.729 ppm2      6.796 CV     1
 ASSI {  360}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 15   and name HE1 ))
      5.300     3.500     1.000 peak   360 spectrum    1 weight  0.10000E+01 volume  0.44610E-04 ppm1      2.630 ppm2     10.241 CV     1
 ASSI {  361}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HE1 ))
      4.200     2.300     2.100 peak   361 spectrum    1 weight  0.10000E+01 volume  0.15965E-03 ppm1      2.714 ppm2     10.242 CV     1
 ASSI {  362}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HE1 ))
      6.200     4.700     0.100 peak   362 spectrum    1 weight  0.10000E+01 volume  0.17121E-04 ppm1      4.115 ppm2     10.245 CV     1
 ASSI {  363}
   (( segid "    " and resid 6    and name HG3 ))
   (( segid "    " and resid 18   and name HN  ))
      4.100     2.100     2.100 peak   363 spectrum    1 weight  0.10000E+01 volume  0.20340E-03 ppm1      1.261 ppm2      9.765 CV     1
 ASSI {  364}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 18   and name HN  ))
      3.800     1.800     1.800 peak   364 spectrum    1 weight  0.10000E+01 volume  0.30574E-03 ppm1      1.544 ppm2      9.765 CV     1
 OR {  364}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI {  365}
   (( segid "    " and resid 6    and name HD2 ))
   (( segid "    " and resid 18   and name HN  ))
      3.700     1.700     1.700 peak   365 spectrum    1 weight  0.10000E+01 volume  0.37633E-03 ppm1      1.622 ppm2      9.765 CV     1
 ASSI {  366}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
      3.000     1.100     1.100 peak   366 spectrum    1 weight  0.10000E+01 volume  0.13514E-02 ppm1      2.858 ppm2      9.766 CV     1
 ASSI {  367}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
      4.000     2.000     2.000 peak   367 spectrum    1 weight  0.10000E+01 volume  0.24334E-03 ppm1      3.280 ppm2      9.765 CV     1
 ASSI {  369}
   (  segid "    " and resid 23   and name HD1%)
   (( segid "    " and resid 12   and name HN  ))
      4.500     2.500     1.800 peak   369 spectrum    1 weight  0.10000E+01 volume  0.11114E-03 ppm1      1.194 ppm2      9.333 CV     1
 ASSI {  370}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 10   and name HN  ))
      3.600     1.600     1.600 peak   370 spectrum    1 weight  0.10000E+01 volume  0.41057E-03 ppm1      1.095 ppm2      9.068 CV     1
 ASSI {  371}
   (  segid "    " and resid 23   and name HD1%)
   (( segid "    " and resid 10   and name HN  ))
      2.700     0.900     0.900 peak   371 spectrum    1 weight  0.10000E+01 volume  0.22618E-02 ppm1      1.198 ppm2      9.068 CV     1
 ASSI {  372}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 21   and name HN  ))
      3.100     1.200     1.200 peak   372 spectrum    1 weight  0.10000E+01 volume  0.11175E-02 ppm1      1.056 ppm2      8.861 CV     1
 ASSI {  373}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 21   and name HN  ))
      3.200     1.300     1.300 peak   373 spectrum    1 weight  0.10000E+01 volume  0.93699E-03 ppm1      1.427 ppm2      8.861 CV     1
 ASSI {  374}
   (( segid "    " and resid 19   and name HG2 ))
   (( segid "    " and resid 21   and name HN  ))
      3.700     1.700     1.700 peak   374 spectrum    1 weight  0.10000E+01 volume  0.37281E-03 ppm1      1.557 ppm2      8.861 CV     1
 ASSI {  375}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 21   and name HN  ))
      2.600     2.600     3.400 peak   375 spectrum    1 weight  0.10000E+01 volume  0.27905E-02 ppm1      2.009 ppm2      8.861 CV     1
 ASSI {  376}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      2.600     0.900     0.900 peak   376 spectrum    1 weight  0.10000E+01 volume  0.28289E-02 ppm1      2.077 ppm2      9.068 CV     1
 OR {  376}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 10   and name HN  ))
 ASSI {  378}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 10   and name HN  ))
      3.000     3.000     3.000 peak   378 spectrum    1 weight  0.10000E+01 volume  0.12093E-02 ppm1      2.321 ppm2      9.069 CV     1
 ASSI {  379}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
      3.200     1.300     1.300 peak   379 spectrum    1 weight  0.10000E+01 volume  0.92899E-03 ppm1      2.360 ppm2      9.336 CV     1
 ASSI {  380}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
      3.400     1.500     1.500 peak   380 spectrum    1 weight  0.10000E+01 volume  0.55906E-03 ppm1      2.829 ppm2      9.336 CV     1
 ASSI {  381}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      3.300     1.400     1.400 peak   381 spectrum    1 weight  0.10000E+01 volume  0.72259E-03 ppm1      2.828 ppm2      9.033 CV     1
 ASSI {  382}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      3.000     1.100     1.100 peak   382 spectrum    1 weight  0.10000E+01 volume  0.12167E-02 ppm1      3.115 ppm2      8.861 CV     1
 ASSI {  383}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 21   and name HN  ))
      3.200     1.300     1.300 peak   383 spectrum    1 weight  0.10000E+01 volume  0.80515E-03 ppm1      3.178 ppm2      8.861 CV     1
 ASSI {  384}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 21   and name HN  ))
      4.000     2.000     2.000 peak   384 spectrum    1 weight  0.10000E+01 volume  0.22145E-03 ppm1      3.278 ppm2      8.862 CV     1
 ASSI {  385}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 15   and name HN  ))
      3.300     1.400     1.400 peak   385 spectrum    1 weight  0.10000E+01 volume  0.70306E-03 ppm1      3.275 ppm2      9.032 CV     1
 ASSI {  386}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      3.100     1.200     1.200 peak   386 spectrum    1 weight  0.10000E+01 volume  0.11658E-02 ppm1      3.402 ppm2      9.034 CV     1
 ASSI {  387}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 21   and name HN  ))
      3.100     1.200     1.200 peak   387 spectrum    1 weight  0.10000E+01 volume  0.10202E-02 ppm1      3.470 ppm2      8.862 CV     1
 ASSI {  388}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 15   and name HN  ))
      3.100     1.200     1.200 peak   388 spectrum    1 weight  0.10000E+01 volume  0.10845E-02 ppm1      3.646 ppm2      9.033 CV     1
 ASSI {  389}
   (( segid "    " and resid 27   and name HD3 ))
   (( segid "    " and resid 12   and name HN  ))
      3.500     3.500     2.500 peak   389 spectrum    1 weight  0.10000E+01 volume  0.48194E-03 ppm1      3.309 ppm2      9.337 CV     1
 ASSI {  390}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 12   and name HN  ))
      3.200     1.300     1.300 peak   390 spectrum    1 weight  0.10000E+01 volume  0.92003E-03 ppm1      3.644 ppm2      9.335 CV     1
 ASSI {  391}
   (( segid "    " and resid 27   and name HD2 ))
   (( segid "    " and resid 12   and name HN  ))
      3.000     1.100     1.100 peak   391 spectrum    1 weight  0.10000E+01 volume  0.13895E-02 ppm1      4.116 ppm2      9.335 CV     1
 ASSI {  392}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      3.000     3.000     3.000 peak   392 spectrum    1 weight  0.10000E+01 volume  0.12426E-02 ppm1      3.793 ppm2      9.067 CV     1
 ASSI {  393}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      3.500     1.500     1.500 peak   393 spectrum    1 weight  0.10000E+01 volume  0.55490E-03 ppm1      4.116 ppm2      9.070 CV     1
 ASSI {  394}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 12   and name HN  ))
      2.600     0.900     0.900 peak   394 spectrum    1 weight  0.10000E+01 volume  0.27521E-02 ppm1      4.324 ppm2      9.337 CV     1
 ASSI {  396}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      2.000     0.500     0.500 peak   396 spectrum    1 weight  0.10000E+01 volume  0.12842E-01 ppm1      4.307 ppm2      9.069 CV     1
 ASSI {  397}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      2.900     1.100     1.100 peak   397 spectrum    1 weight  0.10000E+01 volume  0.15738E-02 ppm1      4.668 ppm2      9.336 CV     1
 ASSI {  398}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      3.800     1.800     1.800 peak   398 spectrum    1 weight  0.10000E+01 volume  0.30843E-03 ppm1      4.932 ppm2      9.333 CV     1
 ASSI {  399}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      2.800     0.900     0.900 peak   399 spectrum    1 weight  0.10000E+01 volume  0.21569E-02 ppm1      4.597 ppm2      9.032 CV     1
 ASSI {  400}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      4.300     2.300     2.000 peak   400 spectrum    1 weight  0.10000E+01 volume  0.15853E-03 ppm1      4.597 ppm2      9.068 CV     1
 ASSI {  401}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      4.700     2.800     1.600 peak   401 spectrum    1 weight  0.10000E+01 volume  0.84099E-04 ppm1      4.671 ppm2      9.067 CV     1
 ASSI {  402}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      3.100     1.200     1.200 peak   402 spectrum    1 weight  0.10000E+01 volume  0.11034E-02 ppm1      4.607 ppm2      8.861 CV     1
 ASSI {  405}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      3.500     1.600     1.600 peak   405 spectrum    1 weight  0.10000E+01 volume  0.47426E-03 ppm1      4.932 ppm2      9.031 CV     1
 ASSI {  406}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      2.600     0.800     0.800 peak   406 spectrum    1 weight  0.10000E+01 volume  0.33505E-02 ppm1      5.160 ppm2      9.070 CV     1
 ASSI {  409}
   (( segid "    " and resid 9    and name HE22))
   (( segid "    " and resid 10   and name HN  ))
      3.000     1.100     1.100 peak   409 spectrum    1 weight  0.10000E+01 volume  0.13956E-02 ppm1      6.195 ppm2      9.069 CV     1
 ASSI {  410}
   (( segid "    " and resid 9    and name HE22))
   (( segid "    " and resid 15   and name HN  ))
      3.500     1.500     1.500 peak   410 spectrum    1 weight  0.10000E+01 volume  0.49602E-03 ppm1      6.195 ppm2      9.033 CV     1
 ASSI {  411}
   (( segid "    " and resid 17   and name HZ  ))
   (( segid "    " and resid 15   and name HN  ))
      4.400     2.400     1.900 peak   411 spectrum    1 weight  0.10000E+01 volume  0.13098E-03 ppm1      6.461 ppm2      9.031 CV     1
 ASSI {  412}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 17   and name HN  ))
      3.800     1.800     1.800 peak   412 spectrum    1 weight  0.10000E+01 volume  0.32193E-03 ppm1      1.093 ppm2      8.664 CV     1
 ASSI {  413}
   (  segid "    " and resid 23   and name HD1%)
   (( segid "    " and resid 17   and name HN  ))
      3.700     1.700     1.700 peak   413 spectrum    1 weight  0.10000E+01 volume  0.36289E-03 ppm1      1.191 ppm2      8.665 CV     1
 ASSI {  416}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      2.800     1.000     1.000 peak   416 spectrum    1 weight  0.10000E+01 volume  0.17549E-02 ppm1      1.539 ppm2      8.664 CV     1
 OR {  416}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 17   and name HN  ))
 ASSI {  417}
   (( segid "    " and resid 6    and name HD2 ))
   (( segid "    " and resid 17   and name HN  ))
      4.600     2.700     1.700 peak   417 spectrum    1 weight  0.10000E+01 volume  0.97155E-04 ppm1      1.626 ppm2      8.663 CV     1
 ASSI {  418}
   (( segid "    " and resid 19   and name HG2 ))
   (( segid "    " and resid 20   and name HN  ))
      3.100     1.200     1.200 peak   418 spectrum    1 weight  0.10000E+01 volume  0.10157E-02 ppm1      1.559 ppm2      8.606 CV     1
 ASSI {  419}
   (( segid "    " and resid 19   and name HG3 ))
   (( segid "    " and resid 20   and name HN  ))
      3.500     1.500     1.500 peak   419 spectrum    1 weight  0.10000E+01 volume  0.55234E-03 ppm1      1.399 ppm2      8.607 CV     1
 ASSI {  420}
   (  segid "    " and resid 23   and name HD1%)
   (( segid "    " and resid 9    and name HN  ))
      4.100     2.100     2.100 peak   420 spectrum    1 weight  0.10000E+01 volume  0.19076E-03 ppm1      1.196 ppm2      8.602 CV     1
 ASSI {  421}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 9    and name HN  ))
      2.600     0.900     0.900 peak   421 spectrum    1 weight  0.10000E+01 volume  0.29255E-02 ppm1      1.086 ppm2      8.603 CV     1
 ASSI {  422}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 6    and name HN  ))
      3.100     1.200     1.200 peak   422 spectrum    1 weight  0.10000E+01 volume  0.10740E-02 ppm1      0.868 ppm2      8.505 CV     1
 ASSI {  423}
   (( segid "    " and resid 5    and name HG12))
   (( segid "    " and resid 6    and name HN  ))
      4.000     2.000     2.000 peak   423 spectrum    1 weight  0.10000E+01 volume  0.24020E-03 ppm1      1.146 ppm2      8.504 CV     1
 ASSI {  426}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 4    and name HN  ))
      3.600     1.600     1.600 peak   426 spectrum    1 weight  0.10000E+01 volume  0.42690E-03 ppm1      1.427 ppm2      8.508 CV     1
 ASSI {  429}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 6    and name HN  ))
      2.700     2.700     3.300 peak   429 spectrum    1 weight  0.10000E+01 volume  0.22993E-02 ppm1      1.784 ppm2      8.503 CV     1
 ASSI {  431}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 8    and name HN  ))
      3.300     1.400     1.400 peak   431 spectrum    1 weight  0.10000E+01 volume  0.69954E-03 ppm1      1.097 ppm2      8.223 CV     1
 ASSI {  432}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 8    and name HN  ))
      2.900     2.900     3.100 peak   432 spectrum    1 weight  0.10000E+01 volume  0.14356E-02 ppm1      1.277 ppm2      8.226 CV     1
 ASSI {  433}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 8    and name HN  ))
      3.900     1.900     1.900 peak   433 spectrum    1 weight  0.10000E+01 volume  0.28075E-03 ppm1      1.447 ppm2      8.224 CV     1
 ASSI {  434}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 8    and name HN  ))
      3.000     1.100     1.100 peak   434 spectrum    1 weight  0.10000E+01 volume  0.12900E-02 ppm1      1.537 ppm2      8.227 CV     1
 ASSI {  435}
   (( segid "    " and resid 7    and name HG3 ))
   (( segid "    " and resid 8    and name HN  ))
      3.100     1.200     1.200 peak   435 spectrum    1 weight  0.10000E+01 volume  0.97443E-03 ppm1      1.788 ppm2      8.226 CV     1
 ASSI {  436}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 8    and name HN  ))
      3.700     1.700     1.700 peak   436 spectrum    1 weight  0.10000E+01 volume  0.35649E-03 ppm1      1.874 ppm2      8.227 CV     1
 ASSI {  437}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 9    and name HE21))
      4.400     2.400     1.900 peak   437 spectrum    1 weight  0.10000E+01 volume  0.12509E-03 ppm1      0.857 ppm2      8.159 CV     1
 ASSI {  438}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 24   and name HN  ))
      3.200     1.300     1.300 peak   438 spectrum    1 weight  0.10000E+01 volume  0.83107E-03 ppm1      1.093 ppm2      7.964 CV     1
 ASSI {  439}
   (  segid "    " and resid 23   and name HD1%)
   (( segid "    " and resid 24   and name HN  ))
      3.600     1.600     1.600 peak   439 spectrum    1 weight  0.10000E+01 volume  0.41985E-03 ppm1      1.200 ppm2      7.965 CV     1
 ASSI {  440}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 24   and name HN  ))
      4.300     2.300     2.000 peak   440 spectrum    1 weight  0.10000E+01 volume  0.15793E-03 ppm1      1.548 ppm2      7.968 CV     1
 ASSI {  441}
   (( segid "    " and resid 23   and name HG  ))
   (( segid "    " and resid 24   and name HN  ))
      2.700     0.900     0.900 peak   441 spectrum    1 weight  0.10000E+01 volume  0.23358E-02 ppm1      1.642 ppm2      7.965 CV     1
 ASSI {  442}
   (( segid "    " and resid 19   and name HG2 ))
   (( segid "    " and resid 19   and name HH21))
      4.600     2.600     1.700 peak   442 spectrum    1 weight  0.10000E+01 volume  0.10333E-03 ppm1      1.562 ppm2      8.025 CV     1
 OR {  442}
   (( segid "    " and resid 19   and name HG2 ))
   (( segid "    " and resid 19   and name HH22))
 ASSI {  447}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 13   and name HN  ))
      2.800     1.000     1.000 peak   447 spectrum    1 weight  0.10000E+01 volume  0.18983E-02 ppm1      1.387 ppm2      7.891 CV     1
 ASSI {  448}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 19   and name HH21))
      4.600     2.600     1.700 peak   448 spectrum    1 weight  0.10000E+01 volume  0.10560E-03 ppm1      1.052 ppm2      8.022 CV     1
 OR {  448}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 19   and name HH22))
 ASSI {  449}
   (( segid "    " and resid 19   and name HG3 ))
   (( segid "    " and resid 19   and name HH21))
      4.700     2.800     1.600 peak   449 spectrum    1 weight  0.10000E+01 volume  0.85283E-04 ppm1      1.396 ppm2      8.023 CV     1
 OR {  449}
   (( segid "    " and resid 19   and name HG3 ))
   (( segid "    " and resid 19   and name HH22))
 ASSI {  452}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 20   and name HN  ))
      3.400     1.500     1.500 peak   452 spectrum    1 weight  0.10000E+01 volume  0.57538E-03 ppm1      2.008 ppm2      8.606 CV     1
 ASSI {  453}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 17   and name HN  ))
      3.600     1.600     1.600 peak   453 spectrum    1 weight  0.10000E+01 volume  0.45602E-03 ppm1      2.069 ppm2      8.665 CV     1
 OR {  453}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
 ASSI {  456}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 20   and name HN  ))
      4.200     2.200     2.100 peak   456 spectrum    1 weight  0.10000E+01 volume  0.17137E-03 ppm1      2.603 ppm2      8.606 CV     1
 OR {  456}
   (( segid "    " and resid 19   and name HD3 ))
   (( segid "    " and resid 20   and name HN  ))
 ASSI {  457}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 32   and name HN  ))
      3.100     1.200     1.200 peak   457 spectrum    1 weight  0.10000E+01 volume  0.10791E-02 ppm1      2.030 ppm2      8.287 CV     1
 ASSI {  458}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 8    and name HN  ))
      2.900     1.000     1.000 peak   458 spectrum    1 weight  0.10000E+01 volume  0.16193E-02 ppm1      2.019 ppm2      8.225 CV     1
 ASSI {  459}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 32   and name HN  ))
      3.000     1.100     1.100 peak   459 spectrum    1 weight  0.10000E+01 volume  0.13191E-02 ppm1      2.168 ppm2      8.288 CV     1
 ASSI {  461}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HE21))
      2.900     1.000     1.000 peak   461 spectrum    1 weight  0.10000E+01 volume  0.15921E-02 ppm1      2.075 ppm2      8.155 CV     1
 OR {  461}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 9    and name HE21))
 ASSI {  463}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 9    and name HE21))
      2.600     0.800     0.800 peak   463 spectrum    1 weight  0.10000E+01 volume  0.33921E-02 ppm1      2.319 ppm2      8.156 CV     1
 ASSI {  466}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 24   and name HN  ))
      2.700     2.700     3.300 peak   466 spectrum    1 weight  0.10000E+01 volume  0.25905E-02 ppm1      1.976 ppm2      7.965 CV     1
 ASSI {  467}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 13   and name HN  ))
      2.800     1.000     1.000 peak   467 spectrum    1 weight  0.10000E+01 volume  0.18919E-02 ppm1      2.070 ppm2      7.891 CV     1
 ASSI {  469}
   (( segid "    " and resid 31   and name HG3 ))
   (( segid "    " and resid 32   and name HN  ))
      3.900     1.900     1.900 peak   469 spectrum    1 weight  0.10000E+01 volume  0.25502E-03 ppm1      2.562 ppm2      8.286 CV     1
 ASSI {  471}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 9    and name HE21))
      3.500     1.600     1.600 peak   471 spectrum    1 weight  0.10000E+01 volume  0.48962E-03 ppm1      2.704 ppm2      8.157 CV     1
 OR {  471}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 9    and name HE21))
 ASSI {  472}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 9    and name HE21))
      3.600     1.600     1.600 peak   472 spectrum    1 weight  0.10000E+01 volume  0.44066E-03 ppm1      2.826 ppm2      8.156 CV     1
 ASSI {  473}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 8    and name HN  ))
      4.000     2.000     2.000 peak   473 spectrum    1 weight  0.10000E+01 volume  0.22026E-03 ppm1      2.859 ppm2      8.228 CV     1
 ASSI {  474}
   (( segid "    " and resid 19   and name HD3 ))
   (( segid "    " and resid 19   and name HH21))
      3.000     1.100     1.100 peak   474 spectrum    1 weight  0.10000E+01 volume  0.12215E-02 ppm1      2.603 ppm2      8.023 CV     1
 OR {  474}
   (( segid "    " and resid 19   and name HD3 ))
   (( segid "    " and resid 19   and name HH22))
 ASSI {  475}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 24   and name HN  ))
      4.700     2.800     1.600 peak   475 spectrum    1 weight  0.10000E+01 volume  0.84035E-04 ppm1      2.605 ppm2      7.967 CV     1
 ASSI {  476}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 13   and name HN  ))
      3.400     1.500     1.500 peak   476 spectrum    1 weight  0.10000E+01 volume  0.57634E-03 ppm1      2.704 ppm2      7.893 CV     1
 OR {  476}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 13   and name HN  ))
 ASSI {  477}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 13   and name HN  ))
      3.000     1.100     1.100 peak   477 spectrum    1 weight  0.10000E+01 volume  0.12941E-02 ppm1      2.829 ppm2      7.890 CV     1
 ASSI {  481}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      2.700     0.900     0.900 peak   481 spectrum    1 weight  0.10000E+01 volume  0.26878E-02 ppm1      3.027 ppm2      8.664 CV     1
 ASSI {  482}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 9    and name HN  ))
      2.800     1.000     1.000 peak   482 spectrum    1 weight  0.10000E+01 volume  0.18157E-02 ppm1      3.027 ppm2      8.602 CV     1
 OR {  482}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 9    and name HN  ))
 ASSI {  486}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 17   and name HN  ))
      2.500     2.500     3.500 peak   486 spectrum    1 weight  0.10000E+01 volume  0.39713E-02 ppm1      3.592 ppm2      8.665 CV     1
 ASSI {  487}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      2.700     0.900     0.900 peak   487 spectrum    1 weight  0.10000E+01 volume  0.25274E-02 ppm1      3.791 ppm2      8.663 CV     1
 ASSI {  489}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 6    and name HN  ))
      3.700     1.700     1.700 peak   489 spectrum    1 weight  0.10000E+01 volume  0.37793E-03 ppm1      3.592 ppm2      8.503 CV     1
 ASSI {  490}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 6    and name HN  ))
      3.600     1.600     1.600 peak   490 spectrum    1 weight  0.10000E+01 volume  0.46914E-03 ppm1      3.717 ppm2      8.502 CV     1
 ASSI {  491}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      2.000     0.500     0.500 peak   491 spectrum    1 weight  0.10000E+01 volume  0.14980E-01 ppm1      4.046 ppm2      8.507 CV     1
 ASSI {  492}
   (( segid "    " and resid 2    and name HB2 ))
   (( segid "    " and resid 3    and name HN  ))
      3.400     1.500     1.500 peak   492 spectrum    1 weight  0.10000E+01 volume  0.56962E-03 ppm1      3.880 ppm2      8.423 CV     1
 OR {  492}
   (( segid "    " and resid 2    and name HB3 ))
   (( segid "    " and resid 3    and name HN  ))
 ASSI {  493}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 14   and name HN  ))
      2.300     2.300     3.700 peak   493 spectrum    1 weight  0.10000E+01 volume  0.61538E-02 ppm1      3.276 ppm2      8.302 CV     1
 ASSI {  494}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
      2.100     2.100     3.900 peak   494 spectrum    1 weight  0.10000E+01 volume  0.11008E-01 ppm1      3.400 ppm2      8.303 CV     1
 ASSI {  496}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 14   and name HN  ))
      3.900     1.900     1.900 peak   496 spectrum    1 weight  0.10000E+01 volume  0.27153E-03 ppm1      3.646 ppm2      8.300 CV     1
 ASSI {  497}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      3.800     1.800     1.800 peak   497 spectrum    1 weight  0.10000E+01 volume  0.31182E-03 ppm1      4.044 ppm2      8.289 CV     1
 ASSI {  498}
   (( segid "    " and resid 7    and name HD3 ))
   (( segid "    " and resid 8    and name HN  ))
      3.000     1.100     1.100 peak   498 spectrum    1 weight  0.10000E+01 volume  0.12756E-02 ppm1      3.666 ppm2      8.227 CV     1
 ASSI {  499}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 8    and name HN  ))
      3.100     1.200     1.200 peak   499 spectrum    1 weight  0.10000E+01 volume  0.10599E-02 ppm1      3.724 ppm2      8.226 CV     1
 ASSI {  500}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 8    and name HN  ))
      4.600     2.600     1.700 peak   500 spectrum    1 weight  0.10000E+01 volume  0.10522E-03 ppm1      3.592 ppm2      8.226 CV     1
 ASSI {  501}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 9    and name HE21))
      3.200     3.200     2.800 peak   501 spectrum    1 weight  0.10000E+01 volume  0.87459E-03 ppm1      3.646 ppm2      8.156 CV     1
 ASSI {  502}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 9    and name HE21))
      4.600     2.600     1.700 peak   502 spectrum    1 weight  0.10000E+01 volume  0.99267E-04 ppm1      3.791 ppm2      8.161 CV     1
 ASSI {  504}
   (( segid "    " and resid 4    and name HA2 ))
   (( segid "    " and resid 5    and name HN  ))
      2.100     0.500     0.500 peak   504 spectrum    1 weight  0.10000E+01 volume  0.12544E-01 ppm1      3.933 ppm2      8.087 CV     1
 OR {  504}
   (( segid "    " and resid 4    and name HA1 ))
   (( segid "    " and resid 5    and name HN  ))
 ASSI {  506}
   (( segid "    " and resid 19   and name HD2 ))
   (( segid "    " and resid 19   and name HH21))
      3.300     1.300     1.300 peak   506 spectrum    1 weight  0.10000E+01 volume  0.77219E-03 ppm1      3.149 ppm2      8.023 CV     1
 OR {  506}
   (( segid "    " and resid 19   and name HD2 ))
   (( segid "    " and resid 19   and name HH22))
 ASSI {  507}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      3.200     1.200     1.200 peak   507 spectrum    1 weight  0.10000E+01 volume  0.95491E-03 ppm1      3.109 ppm2      7.967 CV     1
 ASSI {  508}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 24   and name HN  ))
      4.300     2.300     2.000 peak   508 spectrum    1 weight  0.10000E+01 volume  0.15293E-03 ppm1      3.173 ppm2      7.968 CV     1
 ASSI {  509}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 24   and name HN  ))
      4.700     2.800     1.600 peak   509 spectrum    1 weight  0.10000E+01 volume  0.83107E-04 ppm1      3.027 ppm2      7.970 CV     1
 OR {  509}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 24   and name HN  ))
 ASSI {  510}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 24   and name HN  ))
      3.700     1.700     1.700 peak   510 spectrum    1 weight  0.10000E+01 volume  0.37473E-03 ppm1      3.286 ppm2      7.967 CV     1
 ASSI {  511}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      2.900     1.100     1.100 peak   511 spectrum    1 weight  0.10000E+01 volume  0.14871E-02 ppm1      3.463 ppm2      7.965 CV     1
 ASSI {  514}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 13   and name HN  ))
      2.600     2.600     3.400 peak   514 spectrum    1 weight  0.10000E+01 volume  0.32129E-02 ppm1      3.647 ppm2      7.891 CV     1
 ASSI {  518}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      4.500     2.600     1.800 peak   518 spectrum    1 weight  0.10000E+01 volume  0.10941E-03 ppm1      4.113 ppm2      8.307 CV     1
 ASSI {  519}
   (( segid "    " and resid 27   and name HD2 ))
   (( segid "    " and resid 27   and name HE  ))
      3.500     1.500     1.500 peak   519 spectrum    1 weight  0.10000E+01 volume  0.50082E-03 ppm1      4.125 ppm2      8.077 CV     1
 ASSI {  520}
   (( segid "    " and resid 27   and name HD2 ))
   (( segid "    " and resid 13   and name HN  ))
      3.800     1.800     1.800 peak   520 spectrum    1 weight  0.10000E+01 volume  0.29281E-03 ppm1      4.119 ppm2      7.891 CV     1
 OR {  520}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
 ASSI {  521}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      2.900     1.100     1.100 peak   521 spectrum    1 weight  0.10000E+01 volume  0.14903E-02 ppm1      4.306 ppm2      8.663 CV     1
 ASSI {  523}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      3.500     1.500     1.500 peak   523 spectrum    1 weight  0.10000E+01 volume  0.54402E-03 ppm1      4.694 ppm2      8.664 CV     1
 ASSI {  525}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      2.000     0.500     0.500 peak   525 spectrum    1 weight  0.10000E+01 volume  0.13520E-01 ppm1      4.695 ppm2      8.602 CV     1
 ASSI {  526}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      2.100     0.500     0.500 peak   526 spectrum    1 weight  0.10000E+01 volume  0.12148E-01 ppm1      4.607 ppm2      8.606 CV     1
 ASSI {  527}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      2.400     0.700     0.700 peak   527 spectrum    1 weight  0.10000E+01 volume  0.48994E-02 ppm1      4.392 ppm2      8.501 CV     1
 ASSI {  528}
   (( segid "    " and resid 3    and name HB  ))
   (( segid "    " and resid 4    and name HN  ))
      2.800     1.000     1.000 peak   528 spectrum    1 weight  0.10000E+01 volume  0.17847E-02 ppm1      4.257 ppm2      8.501 CV     1
 ASSI {  529}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 3    and name HN  ))
      2.500     0.800     0.800 peak   529 spectrum    1 weight  0.10000E+01 volume  0.35521E-02 ppm1      4.585 ppm2      8.422 CV     1
 ASSI {  530}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      2.700     0.900     0.900 peak   530 spectrum    1 weight  0.10000E+01 volume  0.25540E-02 ppm1      4.936 ppm2      8.302 CV     1
 ASSI {  531}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      4.100     2.100     2.100 peak   531 spectrum    1 weight  0.10000E+01 volume  0.19489E-03 ppm1      4.728 ppm2      8.283 CV     1
 ASSI {  532}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      3.400     1.400     1.400 peak   532 spectrum    1 weight  0.10000E+01 volume  0.63842E-03 ppm1      4.499 ppm2      8.226 CV     1
 ASSI {  533}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      2.300     2.300     3.700 peak   533 spectrum    1 weight  0.10000E+01 volume  0.66850E-02 ppm1      4.233 ppm2      8.226 CV     1
 ASSI {  534}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HE21))
      3.400     1.400     1.400 peak   534 spectrum    1 weight  0.10000E+01 volume  0.66306E-03 ppm1      4.311 ppm2      8.153 CV     1
 ASSI {  535}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 9    and name HE21))
      2.800     1.000     1.000 peak   535 spectrum    1 weight  0.10000E+01 volume  0.19060E-02 ppm1      4.600 ppm2      8.156 CV     1
 ASSI {  536}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HE  ))
      3.600     1.600     1.600 peak   536 spectrum    1 weight  0.10000E+01 volume  0.43106E-03 ppm1      4.604 ppm2      8.120 CV     1
 ASSI {  539}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 13   and name HN  ))
      3.500     1.600     1.600 peak   539 spectrum    1 weight  0.10000E+01 volume  0.47298E-03 ppm1      4.323 ppm2      7.891 CV     1
 OR {  539}
   (( segid "    " and resid 11   and name HD3 ))
   (( segid "    " and resid 13   and name HN  ))
 ASSI {  540}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      2.600     0.800     0.800 peak   540 spectrum    1 weight  0.10000E+01 volume  0.31736E-02 ppm1      4.307 ppm2      7.965 CV     1
 ASSI {  542}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      2.800     1.000     1.000 peak   542 spectrum    1 weight  0.10000E+01 volume  0.18785E-02 ppm1      4.791 ppm2      7.889 CV     1
 ASSI {  545}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      3.600     1.600     1.600 peak   545 spectrum    1 weight  0.10000E+01 volume  0.46722E-03 ppm1      4.670 ppm2      7.891 CV     1
 ASSI {  546}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      4.000     2.000     2.000 peak   546 spectrum    1 weight  0.10000E+01 volume  0.24474E-03 ppm1      4.594 ppm2      7.892 CV     1
 ASSI {  547}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      2.200     2.200     3.800 peak   547 spectrum    1 weight  0.10000E+01 volume  0.90723E-02 ppm1      4.476 ppm2      8.287 CV     1
 ASSI {  548}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      2.200     0.600     0.600 peak   548 spectrum    1 weight  0.10000E+01 volume  0.90947E-02 ppm1      5.163 ppm2      8.664 CV     1
 ASSI {  549}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      4.100     2.100     2.100 peak   549 spectrum    1 weight  0.10000E+01 volume  0.20385E-03 ppm1      5.160 ppm2      8.606 CV     1
 ASSI {  557}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 27   and name HN  ))
      6.000     4.500     0.300 peak   557 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.822 ppm2      8.530 CV     1
 ASSI {  565}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 33   and name HN  ))
      3.400     1.400     1.400 peak   565 spectrum    1 weight  0.10000E+01 volume  0.60258E-03 ppm1      1.606 ppm2      7.739 CV     1
 ASSI {  566}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 33   and name HN  ))
      3.300     1.400     1.400 peak   566 spectrum    1 weight  0.10000E+01 volume  0.68002E-03 ppm1      1.672 ppm2      7.740 CV     1
 ASSI {  567}
   (( segid "    " and resid 28   and name HG2 ))
   (( segid "    " and resid 29   and name HN  ))
      3.000     1.200     1.200 peak   567 spectrum    1 weight  0.10000E+01 volume  0.11818E-02 ppm1      1.697 ppm2      7.663 CV     1
 ASSI {  569}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      2.900     1.000     1.000 peak   569 spectrum    1 weight  0.10000E+01 volume  0.16673E-02 ppm1      1.880 ppm2      7.663 CV     1
 ASSI {  570}
   (  segid "    " and resid 32   and name HD2%)
   (( segid "    " and resid 31   and name HN  ))
      4.700     2.700     1.600 peak   570 spectrum    1 weight  0.10000E+01 volume  0.90467E-04 ppm1      0.870 ppm2      7.576 CV     1
 ASSI {  572}
   (  segid "    " and resid 25   and name HD1%)
   (  segid "    " and resid 17   and name HD% )
      4.600     2.700     1.700 peak   572 spectrum    1 weight  0.10000E+01 volume  0.95779E-04 ppm1      0.860 ppm2      7.452 CV     1
 OR {  572}
   (  segid "    " and resid 25   and name HD2%)
   (  segid "    " and resid 17   and name HD% )
 OR {  572}
   (  segid "    " and resid 5    and name HG2%)
   (  segid "    " and resid 17   and name HD% )
 ASSI {  578}
   (  segid "    " and resid 23   and name HD2%)
   (  segid "    " and resid 17   and name HD% )
      2.900     1.100     1.100 peak   578 spectrum    1 weight  0.10000E+01 volume  0.14516E-02 ppm1      1.094 ppm2      7.453 CV     1
 ASSI {  580}
   (  segid "    " and resid 23   and name HD1%)
   (( segid "    " and resid 26   and name HN  ))
      3.200     1.300     1.300 peak   580 spectrum    1 weight  0.10000E+01 volume  0.92163E-03 ppm1      1.194 ppm2      7.497 CV     1
 ASSI {  581}
   (  segid "    " and resid 23   and name HD1%)
   (  segid "    " and resid 17   and name HD% )
      2.200     0.600     0.600 peak   581 spectrum    1 weight  0.10000E+01 volume  0.80387E-02 ppm1      1.196 ppm2      7.453 CV     1
 ASSI {  583}
   (( segid "    " and resid 29   and name HG3 ))
   (( segid "    " and resid 30   and name HN  ))
      2.900     1.100     1.100 peak   583 spectrum    1 weight  0.10000E+01 volume  0.15146E-02 ppm1      1.095 ppm2      7.401 CV     1
 ASSI {  584}
   (( segid "    " and resid 29   and name HG2 ))
   (( segid "    " and resid 30   and name HN  ))
      3.500     1.500     1.500 peak   584 spectrum    1 weight  0.10000E+01 volume  0.55170E-03 ppm1      1.294 ppm2      7.396 CV     1
 ASSI {  585}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 22   and name HN  ))
      2.600     0.800     0.800 peak   585 spectrum    1 weight  0.10000E+01 volume  0.34049E-02 ppm1      1.057 ppm2      7.321 CV     1
 ASSI {  586}
   (  segid "    " and resid 23   and name HD1%)
   (( segid "    " and resid 22   and name HN  ))
      5.100     3.300     1.200 peak   586 spectrum    1 weight  0.10000E+01 volume  0.52706E-04 ppm1      1.202 ppm2      7.321 CV     1
 ASSI {  587}
   (( segid "    " and resid 23   and name HB2 ))
   (  segid "    " and resid 17   and name HD% )
      3.500     1.500     1.500 peak   587 spectrum    1 weight  0.10000E+01 volume  0.55554E-03 ppm1      1.456 ppm2      7.452 CV     1
 ASSI {  588}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 25   and name HN  ))
      2.200     0.600     0.600 peak   588 spectrum    1 weight  0.10000E+01 volume  0.73091E-02 ppm1      1.432 ppm2      7.501 CV     1
 ASSI {  590}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
      3.900     1.900     1.900 peak   590 spectrum    1 weight  0.10000E+01 volume  0.25546E-03 ppm1      1.469 ppm2      7.580 CV     1
 OR {  590}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 31   and name HN  ))
 ASSI {  592}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      3.400     1.500     1.500 peak   592 spectrum    1 weight  0.10000E+01 volume  0.57986E-03 ppm1      1.465 ppm2      7.397 CV     1
 ASSI {  593}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 30   and name HN  ))
      3.400     1.500     1.500 peak   593 spectrum    1 weight  0.10000E+01 volume  0.59714E-03 ppm1      1.535 ppm2      7.398 CV     1
 ASSI {  594}
   (( segid "    " and resid 23   and name HG  ))
   (  segid "    " and resid 17   and name HD% )
      3.100     1.200     1.200 peak   594 spectrum    1 weight  0.10000E+01 volume  0.98179E-03 ppm1      1.637 ppm2      7.455 CV     1
 ASSI {  595}
   (( segid "    " and resid 7    and name HG3 ))
   (  segid "    " and resid 8    and name HE% )
      2.800     1.000     1.000 peak   595 spectrum    1 weight  0.10000E+01 volume  0.18957E-02 ppm1      1.795 ppm2      7.398 CV     1
 ASSI {  596}
   (( segid "    " and resid 7    and name HG2 ))
   (  segid "    " and resid 8    and name HE% )
      2.900     1.100     1.100 peak   596 spectrum    1 weight  0.10000E+01 volume  0.14471E-02 ppm1      1.869 ppm2      7.398 CV     1
 ASSI {  597}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 22   and name HN  ))
      3.300     1.400     1.400 peak   597 spectrum    1 weight  0.10000E+01 volume  0.70754E-03 ppm1      1.432 ppm2      7.318 CV     1
 ASSI {  598}
   (( segid "    " and resid 19   and name HG2 ))
   (( segid "    " and resid 22   and name HN  ))
      3.600     1.600     1.600 peak   598 spectrum    1 weight  0.10000E+01 volume  0.44898E-03 ppm1      1.558 ppm2      7.319 CV     1
 ASSI {  599}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
      3.800     1.800     1.800 peak   599 spectrum    1 weight  0.10000E+01 volume  0.30347E-03 ppm1      1.650 ppm2      7.319 CV     1
 ASSI {  604}
   (  segid "    " and resid 23   and name HD2%)
   (  segid "    " and resid 8    and name HD% )
      2.300     0.700     0.700 peak   604 spectrum    1 weight  0.10000E+01 volume  0.58082E-02 ppm1      1.094 ppm2      7.179 CV     1
 ASSI {  605}
   (  segid "    " and resid 23   and name HD1%)
   (  segid "    " and resid 8    and name HD% )
      3.800     1.800     1.800 peak   605 spectrum    1 weight  0.10000E+01 volume  0.31665E-03 ppm1      1.196 ppm2      7.178 CV     1
 ASSI {  606}
   (( segid "    " and resid 7    and name HB3 ))
   (  segid "    " and resid 8    and name HD% )
      3.000     3.000     3.000 peak   606 spectrum    1 weight  0.10000E+01 volume  0.13904E-02 ppm1      1.276 ppm2      7.178 CV     1
 ASSI {  607}
   (( segid "    " and resid 23   and name HB2 ))
   (  segid "    " and resid 8    and name HD% )
      3.200     1.200     1.200 peak   607 spectrum    1 weight  0.10000E+01 volume  0.94595E-03 ppm1      1.449 ppm2      7.178 CV     1
 ASSI {  608}
   (( segid "    " and resid 6    and name HB3 ))
   (  segid "    " and resid 8    and name HD% )
      3.900     1.900     1.900 peak   608 spectrum    1 weight  0.10000E+01 volume  0.25265E-03 ppm1      1.538 ppm2      7.179 CV     1
 ASSI {  609}
   (( segid "    " and resid 23   and name HG  ))
   (  segid "    " and resid 8    and name HD% )
      3.800     1.800     1.800 peak   609 spectrum    1 weight  0.10000E+01 volume  0.30219E-03 ppm1      1.633 ppm2      7.178 CV     1
 OR {  609}
   (( segid "    " and resid 6    and name HD2 ))
   (  segid "    " and resid 8    and name HD% )
 ASSI {  610}
   (( segid "    " and resid 7    and name HG3 ))
   (  segid "    " and resid 8    and name HD% )
      2.700     2.700     3.300 peak   610 spectrum    1 weight  0.10000E+01 volume  0.23466E-02 ppm1      1.789 ppm2      7.180 CV     1
 ASSI {  611}
   (( segid "    " and resid 7    and name HG2 ))
   (  segid "    " and resid 8    and name HD% )
      3.300     1.300     1.300 peak   611 spectrum    1 weight  0.10000E+01 volume  0.76259E-03 ppm1      1.874 ppm2      7.179 CV     1
 ASSI {  612}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 23   and name HN  ))
      2.800     2.800     3.200 peak   612 spectrum    1 weight  0.10000E+01 volume  0.18113E-02 ppm1      1.096 ppm2      7.129 CV     1
 ASSI {  613}
   (  segid "    " and resid 23   and name HD1%)
   (( segid "    " and resid 23   and name HN  ))
      3.000     1.100     1.100 peak   613 spectrum    1 weight  0.10000E+01 volume  0.12487E-02 ppm1      1.198 ppm2      7.127 CV     1
 ASSI {  614}
   (  segid "    " and resid 23   and name HD2%)
   (  segid "    " and resid 17   and name HE% )
      4.000     2.000     2.000 peak   614 spectrum    1 weight  0.10000E+01 volume  0.23585E-03 ppm1      1.095 ppm2      6.961 CV     1
 ASSI {  615}
   (  segid "    " and resid 23   and name HD1%)
   (  segid "    " and resid 17   and name HE% )
      2.300     0.700     0.700 peak   615 spectrum    1 weight  0.10000E+01 volume  0.58338E-02 ppm1      1.195 ppm2      6.960 CV     1
 ASSI {  616}
   (( segid "    " and resid 23   and name HB2 ))
   (  segid "    " and resid 17   and name HE% )
      3.500     3.500     2.500 peak   616 spectrum    1 weight  0.10000E+01 volume  0.49890E-03 ppm1      1.455 ppm2      6.960 CV     1
 ASSI {  617}
   (( segid "    " and resid 23   and name HG  ))
   (  segid "    " and resid 17   and name HE% )
      3.800     1.800     1.800 peak   617 spectrum    1 weight  0.10000E+01 volume  0.29979E-03 ppm1      1.645 ppm2      6.960 CV     1
 ASSI {  618}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 22   and name HD2 ))
      3.400     1.400     1.400 peak   618 spectrum    1 weight  0.10000E+01 volume  0.65954E-03 ppm1      1.059 ppm2      6.838 CV     1
 ASSI {  619}
   (( segid "    " and resid 19   and name HG3 ))
   (( segid "    " and resid 22   and name HD2 ))
      3.600     1.600     1.600 peak   619 spectrum    1 weight  0.10000E+01 volume  0.45794E-03 ppm1      1.401 ppm2      6.835 CV     1
 ASSI {  620}
   (( segid "    " and resid 19   and name HG2 ))
   (( segid "    " and resid 22   and name HD2 ))
      3.500     3.500     2.500 peak   620 spectrum    1 weight  0.10000E+01 volume  0.47234E-03 ppm1      1.558 ppm2      6.835 CV     1
 ASSI {  621}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 22   and name HD2 ))
      3.400     1.400     1.400 peak   621 spectrum    1 weight  0.10000E+01 volume  0.64898E-03 ppm1      1.645 ppm2      6.837 CV     1
 ASSI {  622}
   (( segid "    " and resid 29   and name HG3 ))
   (( segid "    " and resid 30   and name HD2 ))
      4.200     2.200     2.100 peak   622 spectrum    1 weight  0.10000E+01 volume  0.16865E-03 ppm1      1.098 ppm2      6.794 CV     1
 ASSI {  623}
   (  segid "    " and resid 23   and name HD1%)
   (( segid "    " and resid 30   and name HD2 ))
      3.700     1.700     1.700 peak   623 spectrum    1 weight  0.10000E+01 volume  0.37121E-03 ppm1      1.196 ppm2      6.793 CV     1
 ASSI {  625}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 30   and name HD2 ))
      2.700     2.700     3.300 peak   625 spectrum    1 weight  0.10000E+01 volume  0.22183E-02 ppm1      1.391 ppm2      6.792 CV     1
 ASSI {  629}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 30   and name HD2 ))
      2.900     1.000     1.000 peak   629 spectrum    1 weight  0.10000E+01 volume  0.16871E-02 ppm1      2.072 ppm2      6.795 CV     1
 ASSI {  633}
   (( segid "    " and resid 23   and name HB3 ))
   (  segid "    " and resid 17   and name HE% )
      4.200     2.300     2.100 peak   633 spectrum    1 weight  0.10000E+01 volume  0.16049E-03 ppm1      1.977 ppm2      6.958 CV     1
 ASSI {  634}
   (( segid "    " and resid 15   and name HB3 ))
   (  segid "    " and resid 17   and name HE% )
      2.600     0.800     0.800 peak   634 spectrum    1 weight  0.10000E+01 volume  0.29879E-02 ppm1      2.631 ppm2      6.963 CV     1
 ASSI {  635}
   (( segid "    " and resid 15   and name HB2 ))
   (  segid "    " and resid 17   and name HE% )
      2.800     1.000     1.000 peak   635 spectrum    1 weight  0.10000E+01 volume  0.20577E-02 ppm1      2.725 ppm2      6.962 CV     1
 ASSI {  636}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 17   and name HE% )
      2.300     0.700     0.700 peak   636 spectrum    1 weight  0.10000E+01 volume  0.62914E-02 ppm1      2.827 ppm2      6.962 CV     1
 ASSI {  637}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 22   and name HD2 ))
      2.900     1.000     1.000 peak   637 spectrum    1 weight  0.10000E+01 volume  0.17015E-02 ppm1      2.603 ppm2      6.835 CV     1
 ASSI {  638}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 22   and name HD2 ))
      3.500     1.600     1.600 peak   638 spectrum    1 weight  0.10000E+01 volume  0.47202E-03 ppm1      2.012 ppm2      6.839 CV     1
 ASSI {  639}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 22   and name HD2 ))
      3.800     1.800     1.800 peak   639 spectrum    1 weight  0.10000E+01 volume  0.33153E-03 ppm1      2.733 ppm2      6.834 CV     1
 ASSI {  640}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 30   and name HD2 ))
      3.900     1.900     1.900 peak   640 spectrum    1 weight  0.10000E+01 volume  0.26036E-03 ppm1      2.837 ppm2      6.792 CV     1
 OR {  640}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 30   and name HD2 ))
 ASSI {  641}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      3.100     1.200     1.200 peak   641 spectrum    1 weight  0.10000E+01 volume  0.10743E-02 ppm1      2.862 ppm2      7.126 CV     1
 ASSI {  642}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 8    and name HD% )
      3.300     1.300     1.300 peak   642 spectrum    1 weight  0.10000E+01 volume  0.78083E-03 ppm1      2.858 ppm2      7.179 CV     1
 ASSI {  650}
   (( segid "    " and resid 23   and name HB3 ))
   (  segid "    " and resid 8    and name HD% )
      2.900     2.900     3.100 peak   650 spectrum    1 weight  0.10000E+01 volume  0.15946E-02 ppm1      1.983 ppm2      7.183 CV     1
 ASSI {  651}
   (( segid "    " and resid 9    and name HB3 ))
   (  segid "    " and resid 8    and name HD% )
      4.100     2.100     2.100 peak   651 spectrum    1 weight  0.10000E+01 volume  0.19572E-03 ppm1      2.072 ppm2      7.184 CV     1
 OR {  651}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 8    and name HD% )
 ASSI {  656}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
      2.500     0.800     0.800 peak   656 spectrum    1 weight  0.10000E+01 volume  0.34561E-02 ppm1      2.008 ppm2      7.320 CV     1
 ASSI {  657}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 22   and name HN  ))
      3.000     1.100     1.100 peak   657 spectrum    1 weight  0.10000E+01 volume  0.13284E-02 ppm1      2.602 ppm2      7.320 CV     1
 ASSI {  658}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
      3.100     1.200     1.200 peak   658 spectrum    1 weight  0.10000E+01 volume  0.97987E-03 ppm1      2.734 ppm2      7.321 CV     1
 ASSI {  660}
   (( segid "    " and resid 8    and name HB2 ))
   (  segid "    " and resid 8    and name HE% )
      2.600     2.600     3.400 peak   660 spectrum    1 weight  0.10000E+01 volume  0.28257E-02 ppm1      3.024 ppm2      7.400 CV     1
 OR {  660}
   (( segid "    " and resid 8    and name HB3 ))
   (  segid "    " and resid 8    and name HE% )
 ASSI {  662}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      4.100     2.100     2.100 peak   662 spectrum    1 weight  0.10000E+01 volume  0.20087E-03 ppm1      2.174 ppm2      7.391 CV     1
 ASSI {  663}
   (( segid "    " and resid 7    and name HB2 ))
   (  segid "    " and resid 8    and name HE% )
      2.800     1.000     1.000 peak   663 spectrum    1 weight  0.10000E+01 volume  0.20001E-02 ppm1      2.017 ppm2      7.399 CV     1
 ASSI {  664}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 15   and name HE3 ))
      3.000     1.100     1.100 peak   664 spectrum    1 weight  0.10000E+01 volume  0.12768E-02 ppm1      2.633 ppm2      7.451 CV     1
 ASSI {  665}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HE3 ))
      2.900     2.900     3.100 peak   665 spectrum    1 weight  0.10000E+01 volume  0.15345E-02 ppm1      2.722 ppm2      7.451 CV     1
 ASSI {  666}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 17   and name HD% )
      2.100     0.500     0.500 peak   666 spectrum    1 weight  0.10000E+01 volume  0.11434E-01 ppm1      2.860 ppm2      7.452 CV     1
 ASSI {  667}
   (( segid "    " and resid 8    and name HB2 ))
   (  segid "    " and resid 17   and name HD% )
      2.800     1.000     1.000 peak   667 spectrum    1 weight  0.10000E+01 volume  0.19133E-02 ppm1      3.029 ppm2      7.451 CV     1
 OR {  667}
   (( segid "    " and resid 8    and name HB3 ))
   (  segid "    " and resid 17   and name HD% )
 ASSI {  668}
   (( segid "    " and resid 23   and name HB3 ))
   (  segid "    " and resid 17   and name HD% )
      3.100     1.200     1.200 peak   668 spectrum    1 weight  0.10000E+01 volume  0.10676E-02 ppm1      1.979 ppm2      7.449 CV     1
 ASSI {  669}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 25   and name HN  ))
      4.400     2.400     1.900 peak   669 spectrum    1 weight  0.10000E+01 volume  0.12797E-03 ppm1      1.981 ppm2      7.499 CV     1
 ASSI {  672}
   (( segid "    " and resid 29   and name HD3 ))
   (( segid "    " and resid 29   and name HN  ))
      3.200     1.300     1.300 peak   672 spectrum    1 weight  0.10000E+01 volume  0.92323E-03 ppm1      2.866 ppm2      7.662 CV     1
 OR {  672}
   (( segid "    " and resid 29   and name HD2 ))
   (( segid "    " and resid 29   and name HN  ))
 ASSI {  673}
   (( segid "    " and resid 29   and name HD2 ))
   (( segid "    " and resid 31   and name HN  ))
      4.100     2.100     2.100 peak   673 spectrum    1 weight  0.10000E+01 volume  0.19453E-03 ppm1      2.851 ppm2      7.582 CV     1
 OR {  673}
   (( segid "    " and resid 29   and name HD3 ))
   (( segid "    " and resid 31   and name HN  ))
 ASSI {  675}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 33   and name HN  ))
      3.900     1.900     1.900 peak   675 spectrum    1 weight  0.10000E+01 volume  0.24967E-03 ppm1      2.165 ppm2      7.739 CV     1
 ASSI {  676}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 15   and name HD1 ))
      3.100     1.200     1.200 peak   676 spectrum    1 weight  0.10000E+01 volume  0.10938E-02 ppm1      2.631 ppm2      7.783 CV     1
 ASSI {  677}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HD1 ))
      2.700     0.900     0.900 peak   677 spectrum    1 weight  0.10000E+01 volume  0.24500E-02 ppm1      2.718 ppm2      7.783 CV     1
 ASSI {  678}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 16   and name HN  ))
      2.700     0.900     0.900 peak   678 spectrum    1 weight  0.10000E+01 volume  0.25761E-02 ppm1      2.631 ppm2      7.713 CV     1
 ASSI {  679}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
      3.100     1.200     1.200 peak   679 spectrum    1 weight  0.10000E+01 volume  0.10340E-02 ppm1      2.719 ppm2      7.712 CV     1
 ASSI {  680}
   (( segid "    " and resid 29   and name HD3 ))
   (( segid "    " and resid 15   and name HD1 ))
      4.500     2.500     1.800 peak   680 spectrum    1 weight  0.10000E+01 volume  0.12074E-03 ppm1      2.854 ppm2      7.782 CV     1
 OR {  680}
   (( segid "    " and resid 29   and name HD2 ))
   (( segid "    " and resid 15   and name HD1 ))
 ASSI {  682}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      3.600     1.600     1.600 peak   682 spectrum    1 weight  0.10000E+01 volume  0.41537E-03 ppm1      3.029 ppm2      7.127 CV     1
 OR {  682}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI {  684}
   (( segid "    " and resid 8    and name HB2 ))
   (  segid "    " and resid 8    and name HD% )
      2.000     0.500     0.500 peak   684 spectrum    1 weight  0.10000E+01 volume  0.16906E-01 ppm1      3.029 ppm2      7.179 CV     1
 OR {  684}
   (( segid "    " and resid 8    and name HB3 ))
   (  segid "    " and resid 8    and name HD% )
 ASSI {  685}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 8    and name HD% )
      2.700     0.900     0.900 peak   685 spectrum    1 weight  0.10000E+01 volume  0.22708E-02 ppm1      3.106 ppm2      7.178 CV     1
 ASSI {  686}
   (( segid "    " and resid 20   and name HB3 ))
   (  segid "    " and resid 8    and name HD% )
      3.200     1.300     1.300 peak   686 spectrum    1 weight  0.10000E+01 volume  0.88259E-03 ppm1      3.178 ppm2      7.180 CV     1
 ASSI {  687}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 23   and name HN  ))
      2.500     0.800     0.800 peak   687 spectrum    1 weight  0.10000E+01 volume  0.35233E-02 ppm1      3.115 ppm2      7.128 CV     1
 ASSI {  688}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      3.900     3.900     2.100 peak   688 spectrum    1 weight  0.10000E+01 volume  0.25559E-03 ppm1      3.183 ppm2      7.128 CV     1
 ASSI {  689}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      2.600     0.900     0.900 peak   689 spectrum    1 weight  0.10000E+01 volume  0.29380E-02 ppm1      3.286 ppm2      7.128 CV     1
 ASSI {  691}
   (( segid "    " and resid 20   and name HB2 ))
   (  segid "    " and resid 8    and name HD% )
      3.000     1.100     1.100 peak   691 spectrum    1 weight  0.10000E+01 volume  0.13341E-02 ppm1      3.465 ppm2      7.177 CV     1
 ASSI {  692}
   (( segid "    " and resid 7    and name HD3 ))
   (  segid "    " and resid 8    and name HD% )
      2.800     2.800     3.200 peak   692 spectrum    1 weight  0.10000E+01 volume  0.18465E-02 ppm1      3.670 ppm2      7.179 CV     1
 ASSI {  693}
   (( segid "    " and resid 7    and name HD2 ))
   (  segid "    " and resid 8    and name HD% )
      3.000     1.100     1.100 peak   693 spectrum    1 weight  0.10000E+01 volume  0.13748E-02 ppm1      3.724 ppm2      7.180 CV     1
 ASSI {  698}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 28   and name HN  ))
      3.800     1.800     1.800 peak   698 spectrum    1 weight  0.10000E+01 volume  0.32641E-03 ppm1      3.182 ppm2      7.257 CV     1
 ASSI {  701}
   (( segid "    " and resid 26   and name HB2 ))
   (  segid "    " and resid 17   and name HE% )
      2.900     1.100     1.100 peak   701 spectrum    1 weight  0.10000E+01 volume  0.14650E-02 ppm1      3.183 ppm2      6.962 CV     1
 ASSI {  702}
   (( segid "    " and resid 22   and name HB3 ))
   (  segid "    " and resid 17   and name HE% )
      3.500     1.500     1.500 peak   702 spectrum    1 weight  0.10000E+01 volume  0.53346E-03 ppm1      3.119 ppm2      6.963 CV     1
 ASSI {  704}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 17   and name HE% )
      3.600     1.600     1.600 peak   704 spectrum    1 weight  0.10000E+01 volume  0.45570E-03 ppm1      3.289 ppm2      6.960 CV     1
 ASSI {  705}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 17   and name HE% )
      2.800     1.000     1.000 peak   705 spectrum    1 weight  0.10000E+01 volume  0.17725E-02 ppm1      3.465 ppm2      6.961 CV     1
 ASSI {  706}
   (( segid "    " and resid 10   and name HB3 ))
   (  segid "    " and resid 17   and name HE% )
      2.900     1.100     1.100 peak   706 spectrum    1 weight  0.10000E+01 volume  0.14884E-02 ppm1      3.648 ppm2      6.962 CV     1
 ASSI {  707}
   (( segid "    " and resid 17   and name HB3 ))
   (  segid "    " and resid 17   and name HE% )
      3.000     3.000     3.000 peak   707 spectrum    1 weight  0.10000E+01 volume  0.12794E-02 ppm1      3.749 ppm2      6.962 CV     1
 ASSI {  708}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 17   and name HE% )
      4.000     2.000     2.000 peak   708 spectrum    1 weight  0.10000E+01 volume  0.22474E-03 ppm1      4.032 ppm2      6.960 CV     1
 ASSI {  709}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 17   and name HE% )
      3.700     1.700     1.700 peak   709 spectrum    1 weight  0.10000E+01 volume  0.38977E-03 ppm1      4.113 ppm2      6.963 CV     1
 ASSI {  710}
   (( segid "    " and resid 19   and name HD2 ))
   (( segid "    " and resid 22   and name HD2 ))
      4.200     2.200     2.100 peak   710 spectrum    1 weight  0.10000E+01 volume  0.16631E-03 ppm1      3.153 ppm2      6.836 CV     1
 ASSI {  711}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 30   and name HD2 ))
      2.400     2.400     3.600 peak   711 spectrum    1 weight  0.10000E+01 volume  0.52418E-02 ppm1      3.154 ppm2      6.794 CV     1
 ASSI {  712}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HD2 ))
      2.400     0.700     0.700 peak   712 spectrum    1 weight  0.10000E+01 volume  0.45378E-02 ppm1      3.303 ppm2      6.794 CV     1
 ASSI {  714}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HD2 ))
      3.100     1.200     1.200 peak   714 spectrum    1 weight  0.10000E+01 volume  0.96483E-03 ppm1      3.282 ppm2      6.835 CV     1
 ASSI {  716}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 30   and name HD2 ))
      4.000     2.000     2.000 peak   716 spectrum    1 weight  0.10000E+01 volume  0.24164E-03 ppm1      4.035 ppm2      6.792 CV     1
 OR {  716}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 30   and name HD2 ))
 OR {  716}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HD2 ))
 ASSI {  717}
   (( segid "    " and resid 27   and name HD2 ))
   (( segid "    " and resid 30   and name HD2 ))
      4.600     2.700     1.700 peak   717 spectrum    1 weight  0.10000E+01 volume  0.94403E-04 ppm1      4.126 ppm2      6.791 CV     1
 ASSI {  718}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HE  ))
      3.500     1.600     1.600 peak   718 spectrum    1 weight  0.10000E+01 volume  0.47490E-03 ppm1      4.037 ppm2      7.067 CV     1
 ASSI {  719}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      3.600     1.600     1.600 peak   719 spectrum    1 weight  0.10000E+01 volume  0.42818E-03 ppm1      3.968 ppm2      7.129 CV     1
 ASSI {  720}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 23   and name HN  ))
      3.300     1.400     1.400 peak   720 spectrum    1 weight  0.10000E+01 volume  0.69666E-03 ppm1      3.749 ppm2      7.127 CV     1
 ASSI {  722}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HZ3 ))
      3.300     3.300     2.700 peak   722 spectrum    1 weight  0.10000E+01 volume  0.73315E-03 ppm1      4.111 ppm2      7.228 CV     1
 ASSI {  723}
   (( segid "    " and resid 18   and name HB3 ))
   (  segid "    " and resid 8    and name HD% )
      4.000     2.000     2.000 peak   723 spectrum    1 weight  0.10000E+01 volume  0.22846E-03 ppm1      4.115 ppm2      7.179 CV     1
 ASSI {  724}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 22   and name HN  ))
      3.700     1.700     1.700 peak   724 spectrum    1 weight  0.10000E+01 volume  0.34497E-03 ppm1      3.747 ppm2      7.320 CV     1
 ASSI {  725}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      3.800     1.800     1.800 peak   725 spectrum    1 weight  0.10000E+01 volume  0.33601E-03 ppm1      3.462 ppm2      7.324 CV     1
 ASSI {  726}
   (( segid "    " and resid 22   and name HB3 ))
   (  segid "    " and resid 17   and name HD% )
      2.400     0.700     0.700 peak   726 spectrum    1 weight  0.10000E+01 volume  0.45954E-02 ppm1      3.118 ppm2      7.452 CV     1
 ASSI {  728}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 17   and name HD% )
      2.500     0.800     0.800 peak   728 spectrum    1 weight  0.10000E+01 volume  0.35777E-02 ppm1      3.281 ppm2      7.450 CV     1
 ASSI {  729}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 25   and name HN  ))
      3.700     1.700     1.700 peak   729 spectrum    1 weight  0.10000E+01 volume  0.35233E-03 ppm1      3.292 ppm2      7.501 CV     1
 ASSI {  730}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 31   and name HN  ))
      2.900     2.900     3.100 peak   730 spectrum    1 weight  0.10000E+01 volume  0.17383E-02 ppm1      3.156 ppm2      7.581 CV     1
 ASSI {  731}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 29   and name HN  ))
      3.600     3.600     2.400 peak   731 spectrum    1 weight  0.10000E+01 volume  0.40353E-03 ppm1      3.162 ppm2      7.662 CV     1
 ASSI {  732}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      3.500     1.500     1.500 peak   732 spectrum    1 weight  0.10000E+01 volume  0.51938E-03 ppm1      3.294 ppm2      7.662 CV     1
 ASSI {  733}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
      3.000     1.100     1.100 peak   733 spectrum    1 weight  0.10000E+01 volume  0.12205E-02 ppm1      3.296 ppm2      7.583 CV     1
 ASSI {  734}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 15   and name HD1 ))
      4.000     2.000     2.000 peak   734 spectrum    1 weight  0.10000E+01 volume  0.21758E-03 ppm1      3.272 ppm2      7.782 CV     1
 ASSI {  735}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 15   and name HD1 ))
      3.500     3.500     2.500 peak   735 spectrum    1 weight  0.10000E+01 volume  0.51170E-03 ppm1      3.400 ppm2      7.784 CV     1
 ASSI {  737}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      2.000     0.500     0.500 peak   737 spectrum    1 weight  0.10000E+01 volume  0.13543E-01 ppm1      4.115 ppm2      7.713 CV     1
 ASSI {  738}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HD1 ))
      2.700     2.700     3.300 peak   738 spectrum    1 weight  0.10000E+01 volume  0.23482E-02 ppm1      4.113 ppm2      7.782 CV     1
 ASSI {  740}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      2.700     0.900     0.900 peak   740 spectrum    1 weight  0.10000E+01 volume  0.25947E-02 ppm1      4.037 ppm2      7.582 CV     1
 OR {  740}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
 ASSI {  741}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      3.300     1.400     1.400 peak   741 spectrum    1 weight  0.10000E+01 volume  0.71939E-03 ppm1      3.960 ppm2      7.502 CV     1
 ASSI {  742}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 17   and name HD% )
      3.600     3.600     2.400 peak   742 spectrum    1 weight  0.10000E+01 volume  0.42850E-03 ppm1      4.028 ppm2      7.452 CV     1
 OR {  742}
   (( segid "    " and resid 25   and name HA  ))
   (  segid "    " and resid 17   and name HD% )
 OR {  742}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 15   and name HE3 ))
 OR {  742}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 17   and name HD% )
 ASSI {  744}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 19   and name HN  ))
      3.400     1.500     1.500 peak   744 spectrum    1 weight  0.10000E+01 volume  0.58114E-03 ppm1      4.167 ppm2      7.429 CV     1
 ASSI {  746}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      2.600     0.800     0.800 peak   746 spectrum    1 weight  0.10000E+01 volume  0.31745E-02 ppm1      4.042 ppm2      7.392 CV     1
 ASSI {  747}
   (( segid "    " and resid 17   and name HB3 ))
   (  segid "    " and resid 17   and name HD% )
      2.100     0.500     0.500 peak   747 spectrum    1 weight  0.10000E+01 volume  0.11741E-01 ppm1      3.744 ppm2      7.449 CV     1
 ASSI {  748}
   (( segid "    " and resid 10   and name HB3 ))
   (  segid "    " and resid 17   and name HD% )
      3.700     1.700     1.700 peak   748 spectrum    1 weight  0.10000E+01 volume  0.38017E-03 ppm1      3.636 ppm2      7.458 CV     1
 ASSI {  750}
   (( segid "    " and resid 7    and name HD3 ))
   (  segid "    " and resid 8    and name HE% )
      3.300     3.300     2.700 peak   750 spectrum    1 weight  0.10000E+01 volume  0.69154E-03 ppm1      3.670 ppm2      7.398 CV     1
 ASSI {  753}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      2.700     0.900     0.900 peak   753 spectrum    1 weight  0.10000E+01 volume  0.25719E-02 ppm1      3.462 ppm2      7.501 CV     1
 ASSI {  754}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 17   and name HD% )
      2.600     0.800     0.800 peak   754 spectrum    1 weight  0.10000E+01 volume  0.31092E-02 ppm1      3.464 ppm2      7.454 CV     1
 ASSI {  755}
   (( segid "    " and resid 20   and name HB2 ))
   (  segid "    " and resid 8    and name HE% )
      2.600     0.800     0.800 peak   755 spectrum    1 weight  0.10000E+01 volume  0.32321E-02 ppm1      3.469 ppm2      7.398 CV     1
 ASSI {  757}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      2.800     1.000     1.000 peak   757 spectrum    1 weight  0.10000E+01 volume  0.19098E-02 ppm1      4.328 ppm2      7.128 CV     1
 ASSI {  758}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 8    and name HD% )
      4.400     2.500     1.900 peak   758 spectrum    1 weight  0.10000E+01 volume  0.12218E-03 ppm1      4.318 ppm2      7.178 CV     1
 OR {  758}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 8    and name HD% )
 OR {  758}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 8    and name HD% )
 ASSI {  759}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 8    and name HD% )
      3.200     3.200     2.800 peak   759 spectrum    1 weight  0.10000E+01 volume  0.87363E-03 ppm1      4.236 ppm2      7.180 CV     1
 ASSI {  762}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      2.600     0.800     0.800 peak   762 spectrum    1 weight  0.10000E+01 volume  0.30199E-02 ppm1      4.332 ppm2      7.501 CV     1
 ASSI {  763}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      2.200     0.600     0.600 peak   763 spectrum    1 weight  0.10000E+01 volume  0.82435E-02 ppm1      4.410 ppm2      7.740 CV     1
 ASSI {  764}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      3.500     1.600     1.600 peak   764 spectrum    1 weight  0.10000E+01 volume  0.47586E-03 ppm1      4.480 ppm2      7.394 CV     1
 ASSI {  765}
   (( segid "    " and resid 6    and name HA  ))
   (  segid "    " and resid 8    and name HD% )
      3.800     1.800     1.800 peak   765 spectrum    1 weight  0.10000E+01 volume  0.32481E-03 ppm1      4.496 ppm2      7.181 CV     1
 ASSI {  766}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      3.900     1.900     1.900 peak   766 spectrum    1 weight  0.10000E+01 volume  0.27819E-03 ppm1      4.606 ppm2      7.318 CV     1
 ASSI {  767}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 8    and name HE% )
      2.400     0.700     0.700 peak   767 spectrum    1 weight  0.10000E+01 volume  0.44898E-02 ppm1      4.608 ppm2      7.399 CV     1
 ASSI {  768}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      2.900     1.100     1.100 peak   768 spectrum    1 weight  0.10000E+01 volume  0.15060E-02 ppm1      4.749 ppm2      7.431 CV     1
 ASSI {  769}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 8    and name HD% )
      2.900     1.000     1.000 peak   769 spectrum    1 weight  0.10000E+01 volume  0.16183E-02 ppm1      4.608 ppm2      7.180 CV     1
 ASSI {  770}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 8    and name HD% )
      2.100     2.100     3.900 peak   770 spectrum    1 weight  0.10000E+01 volume  0.10103E-01 ppm1      4.699 ppm2      7.181 CV     1
 ASSI {  772}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 17   and name HE% )
      3.600     1.700     1.700 peak   772 spectrum    1 weight  0.10000E+01 volume  0.40705E-03 ppm1      4.789 ppm2      6.961 CV     1
 ASSI {  773}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 30   and name HD2 ))
      3.800     1.800     1.800 peak   773 spectrum    1 weight  0.10000E+01 volume  0.31988E-03 ppm1      4.799 ppm2      6.792 CV     1
 ASSI {  774}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 30   and name HD2 ))
      4.100     2.100     2.100 peak   774 spectrum    1 weight  0.10000E+01 volume  0.21210E-03 ppm1      4.324 ppm2      6.794 CV     1
 ASSI {  775}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      2.500     0.800     0.800 peak   775 spectrum    1 weight  0.10000E+01 volume  0.35425E-02 ppm1      4.725 ppm2      7.582 CV     1
 ASSI {  776}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      4.400     2.400     1.900 peak   776 spectrum    1 weight  0.10000E+01 volume  0.13613E-03 ppm1      4.728 ppm2      7.664 CV     1
 ASSI {  777}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 17   and name HE% )
      3.200     1.300     1.300 peak   777 spectrum    1 weight  0.10000E+01 volume  0.93763E-03 ppm1      5.164 ppm2      6.960 CV     1
 ASSI {  778}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 17   and name HD% )
      2.500     0.800     0.800 peak   778 spectrum    1 weight  0.10000E+01 volume  0.37121E-02 ppm1      5.161 ppm2      7.453 CV     1
 ASSI {  781}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 26   and name HD2 ))
      4.700     2.800     1.600 peak   781 spectrum    1 weight  0.10000E+01 volume  0.88067E-04 ppm1      5.160 ppm2      7.231 CV     1
 OR {  781}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 15   and name HZ3 ))
 ASSI {  783}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 8    and name HE% )
      4.200     2.300     2.100 peak   783 spectrum    1 weight  0.10000E+01 volume  0.16090E-03 ppm1      4.232 ppm2      7.399 CV     1
 ASSI {  785}
   (  segid "    " and resid 23   and name HD1%)
   (( segid "    " and resid 17   and name HZ  ))
      3.300     1.300     1.300 peak   785 spectrum    1 weight  0.10000E+01 volume  0.76675E-03 ppm1      1.194 ppm2      6.458 CV     1
 ASSI {  787}
   (  segid "    " and resid 23   and name HD1%)
   (( segid "    " and resid 9    and name HE22))
      4.200     2.200     2.100 peak   787 spectrum    1 weight  0.10000E+01 volume  0.16177E-03 ppm1      1.202 ppm2      6.207 CV     1
 ASSI {  788}
   (( segid "    " and resid 9    and name HG3 ))
   (( segid "    " and resid 9    and name HE22))
      2.700     2.700     3.300 peak   788 spectrum    1 weight  0.10000E+01 volume  0.22401E-02 ppm1      2.183 ppm2      6.201 CV     1
 ASSI {  789}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 9    and name HE22))
      3.100     1.200     1.200 peak   789 spectrum    1 weight  0.10000E+01 volume  0.10544E-02 ppm1      2.319 ppm2      6.200 CV     1
 ASSI {  790}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 9    and name HE22))
      3.300     1.400     1.400 peak   790 spectrum    1 weight  0.10000E+01 volume  0.71075E-03 ppm1      2.702 ppm2      6.201 CV     1
 OR {  790}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 9    and name HE22))
 ASSI {  791}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 17   and name HZ  ))
      2.700     0.900     0.900 peak   791 spectrum    1 weight  0.10000E+01 volume  0.24676E-02 ppm1      2.632 ppm2      6.461 CV     1
 ASSI {  792}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 17   and name HZ  ))
      2.900     1.100     1.100 peak   792 spectrum    1 weight  0.10000E+01 volume  0.14599E-02 ppm1      2.720 ppm2      6.460 CV     1
 ASSI {  793}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 17   and name HZ  ))
      2.500     0.800     0.800 peak   793 spectrum    1 weight  0.10000E+01 volume  0.42561E-02 ppm1      2.818 ppm2      6.460 CV     1
 ASSI {  795}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 17   and name HZ  ))
      2.800     1.000     1.000 peak   795 spectrum    1 weight  0.10000E+01 volume  0.20369E-02 ppm1      3.190 ppm2      6.462 CV     1
 ASSI {  796}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 17   and name HZ  ))
      3.600     1.700     1.700 peak   796 spectrum    1 weight  0.10000E+01 volume  0.40481E-03 ppm1      3.458 ppm2      6.458 CV     1
 ASSI {  797}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 9    and name HE22))
      3.400     3.400     2.600 peak   797 spectrum    1 weight  0.10000E+01 volume  0.61250E-03 ppm1      3.642 ppm2      6.201 CV     1
 ASSI {  798}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 9    and name HE22))
      3.900     1.900     1.900 peak   798 spectrum    1 weight  0.10000E+01 volume  0.28155E-03 ppm1      3.794 ppm2      6.201 CV     1
 ASSI {  799}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 9    and name HE22))
      5.000     3.100     1.300 peak   799 spectrum    1 weight  0.10000E+01 volume  0.60290E-04 ppm1      4.120 ppm2      6.204 CV     1
 ASSI {  800}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 17   and name HZ  ))
      3.400     1.400     1.400 peak   800 spectrum    1 weight  0.10000E+01 volume  0.64866E-03 ppm1      4.031 ppm2      6.461 CV     1
 ASSI {  801}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 17   and name HZ  ))
      3.900     1.900     1.900 peak   801 spectrum    1 weight  0.10000E+01 volume  0.28420E-03 ppm1      4.115 ppm2      6.459 CV     1
 ASSI {  802}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 9    and name HE22))
      2.500     0.800     0.800 peak   802 spectrum    1 weight  0.10000E+01 volume  0.34337E-02 ppm1      4.601 ppm2      6.201 CV     1
 ASSI {  803}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 9    and name HE22))
      5.200     3.400     1.100 peak   803 spectrum    1 weight  0.10000E+01 volume  0.48674E-04 ppm1      5.158 ppm2      6.204 CV     1
 ASSI {  804}
   (  segid "    " and resid 17   and name HE% )
   (( segid "    " and resid 15   and name HE1 ))
      4.500     2.600     1.800 peak   804 spectrum    1 weight  0.10000E+01 volume  0.10996E-03 ppm1      6.968 ppm2     10.239 CV     1
 ASSI {  805}
   (( segid "    " and resid 15   and name HZ3 ))
   (( segid "    " and resid 15   and name HE1 ))
      4.900     3.000     1.400 peak   805 spectrum    1 weight  0.10000E+01 volume  0.70498E-04 ppm1      7.224 ppm2     10.242 CV     1
 OR {  805}
   (( segid "    " and resid 26   and name HD2 ))
   (( segid "    " and resid 15   and name HE1 ))
 ASSI {  806}
   (( segid "    " and resid 15   and name HH2 ))
   (( segid "    " and resid 15   and name HE1 ))
      4.300     2.300     2.000 peak   806 spectrum    1 weight  0.10000E+01 volume  0.15850E-03 ppm1      7.293 ppm2     10.238 CV     1
 ASSI {  807}
   (( segid "    " and resid 15   and name HE3 ))
   (( segid "    " and resid 15   and name HE1 ))
      3.800     1.800     1.800 peak   807 spectrum    1 weight  0.10000E+01 volume  0.32577E-03 ppm1      7.449 ppm2     10.242 CV     1
 ASSI {  809}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      2.400     0.700     0.700 peak   809 spectrum    1 weight  0.10000E+01 volume  0.46210E-02 ppm1      7.434 ppm2      9.765 CV     1
 ASSI {  810}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      2.100     0.600     0.600 peak   810 spectrum    1 weight  0.10000E+01 volume  0.10602E-01 ppm1      7.888 ppm2      9.336 CV     1
 ASSI {  811}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 12   and name HN  ))
      3.500     1.500     1.500 peak   811 spectrum    1 weight  0.10000E+01 volume  0.52354E-03 ppm1      6.784 ppm2      9.338 CV     1
 ASSI {  812}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HE1 ))
      4.100     2.100     2.100 peak   812 spectrum    1 weight  0.10000E+01 volume  0.19553E-03 ppm1      9.032 ppm2     10.246 CV     1
 ASSI {  814}
   (  segid "    " and resid 17   and name HE% )
   (( segid "    " and resid 10   and name HN  ))
      3.400     1.400     1.400 peak   814 spectrum    1 weight  0.10000E+01 volume  0.60642E-03 ppm1      6.959 ppm2      9.067 CV     1
 ASSI {  815}
   (  segid "    " and resid 17   and name HE% )
   (( segid "    " and resid 15   and name HN  ))
      3.700     1.700     1.700 peak   815 spectrum    1 weight  0.10000E+01 volume  0.38465E-03 ppm1      6.960 ppm2      9.034 CV     1
 ASSI {  816}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 21   and name HN  ))
      3.900     1.900     1.900 peak   816 spectrum    1 weight  0.10000E+01 volume  0.25002E-03 ppm1      6.834 ppm2      8.859 CV     1
 ASSI {  817}
   (  segid "    " and resid 17   and name HE% )
   (( segid "    " and resid 17   and name HN  ))
      3.500     1.500     1.500 peak   817 spectrum    1 weight  0.10000E+01 volume  0.51202E-03 ppm1      6.962 ppm2      8.665 CV     1
 ASSI {  821}
   (  segid "    " and resid 8    and name HD% )
   (( segid "    " and resid 20   and name HN  ))
      2.700     2.700     3.300 peak   821 spectrum    1 weight  0.10000E+01 volume  0.26507E-02 ppm1      7.178 ppm2      8.604 CV     1
 ASSI {  822}
   (  segid "    " and resid 8    and name HD% )
   (( segid "    " and resid 17   and name HN  ))
      3.400     1.400     1.400 peak   822 spectrum    1 weight  0.10000E+01 volume  0.64642E-03 ppm1      7.174 ppm2      8.663 CV     1
 ASSI {  823}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      4.100     2.100     2.100 peak   823 spectrum    1 weight  0.10000E+01 volume  0.20900E-03 ppm1      7.308 ppm2      8.607 CV     1
 ASSI {  824}
   (  segid "    " and resid 8    and name HE% )
   (( segid "    " and resid 20   and name HN  ))
      2.500     0.800     0.800 peak   824 spectrum    1 weight  0.10000E+01 volume  0.35841E-02 ppm1      7.401 ppm2      8.606 CV     1
 ASSI {  825}
   (  segid "    " and resid 17   and name HD% )
   (( segid "    " and resid 17   and name HN  ))
      2.400     0.700     0.700 peak   825 spectrum    1 weight  0.10000E+01 volume  0.53986E-02 ppm1      7.448 ppm2      8.664 CV     1
 ASSI {  831}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      3.500     1.500     1.500 peak   831 spectrum    1 weight  0.10000E+01 volume  0.51714E-03 ppm1      7.124 ppm2      8.859 CV     1
 ASSI {  832}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      2.500     0.800     0.800 peak   832 spectrum    1 weight  0.10000E+01 volume  0.38977E-02 ppm1      7.322 ppm2      8.863 CV     1
 ASSI {  833}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      4.200     2.200     2.100 peak   833 spectrum    1 weight  0.10000E+01 volume  0.16458E-03 ppm1      7.414 ppm2      8.865 CV     1
 OR {  833}
   (  segid "    " and resid 8    and name HE% )
   (( segid "    " and resid 21   and name HN  ))
 ASSI {  834}
   (( segid "    " and resid 26   and name HD2 ))
   (( segid "    " and resid 15   and name HN  ))
      3.500     1.500     1.500 peak   834 spectrum    1 weight  0.10000E+01 volume  0.51042E-03 ppm1      7.227 ppm2      9.033 CV     1
 ASSI {  835}
   (( segid "    " and resid 26   and name HD2 ))
   (( segid "    " and resid 10   and name HN  ))
      3.400     1.500     1.500 peak   835 spectrum    1 weight  0.10000E+01 volume  0.56098E-03 ppm1      7.226 ppm2      9.071 CV     1
 ASSI {  836}
   (( segid "    " and resid 15   and name HE3 ))
   (( segid "    " and resid 15   and name HN  ))
      3.500     3.500     2.500 peak   836 spectrum    1 weight  0.10000E+01 volume  0.49986E-03 ppm1      7.449 ppm2      9.033 CV     1
 ASSI {  837}
   (  segid "    " and resid 17   and name HD% )
   (( segid "    " and resid 10   and name HN  ))
      3.500     1.500     1.500 peak   837 spectrum    1 weight  0.10000E+01 volume  0.49378E-03 ppm1      7.450 ppm2      9.068 CV     1
 ASSI {  838}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      3.100     3.100     2.900 peak   838 spectrum    1 weight  0.10000E+01 volume  0.97251E-03 ppm1      7.705 ppm2      9.032 CV     1
 ASSI {  840}
   (( segid "    " and resid 15   and name HD1 ))
   (( segid "    " and resid 15   and name HN  ))
      2.600     0.900     0.900 peak   840 spectrum    1 weight  0.10000E+01 volume  0.28078E-02 ppm1      7.779 ppm2      9.033 CV     1
 ASSI {  841}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      3.700     1.700     1.700 peak   841 spectrum    1 weight  0.10000E+01 volume  0.36833E-03 ppm1      7.891 ppm2      9.032 CV     1
 ASSI {  842}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      3.900     1.900     1.900 peak   842 spectrum    1 weight  0.10000E+01 volume  0.26052E-03 ppm1      7.891 ppm2      9.068 CV     1
 ASSI {  843}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      3.900     1.900     1.900 peak   843 spectrum    1 weight  0.10000E+01 volume  0.27195E-03 ppm1      7.967 ppm2      8.860 CV     1
 ASSI {  844}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      2.500     0.800     0.800 peak   844 spectrum    1 weight  0.10000E+01 volume  0.36769E-02 ppm1      8.082 ppm2      8.503 CV     1
 ASSI {  846}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      3.100     1.200     1.200 peak   846 spectrum    1 weight  0.10000E+01 volume  0.11168E-02 ppm1      8.219 ppm2      8.601 CV     1
 ASSI {  847}
   (( segid "    " and resid 19   and name HE  ))
   (( segid "    " and resid 20   and name HN  ))
      3.700     1.700     1.700 peak   847 spectrum    1 weight  0.10000E+01 volume  0.35681E-03 ppm1      8.121 ppm2      8.605 CV     1
 ASSI {  848}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      2.800     1.000     1.000 peak   848 spectrum    1 weight  0.10000E+01 volume  0.19050E-02 ppm1      8.219 ppm2      8.661 CV     1
 ASSI {  849}
   (( segid "    " and resid 19   and name HE  ))
   (( segid "    " and resid 21   and name HN  ))
      3.400     1.500     1.500 peak   849 spectrum    1 weight  0.10000E+01 volume  0.59266E-03 ppm1      8.116 ppm2      8.865 CV     1
 ASSI {  850}
   (( segid "    " and resid 9    and name HE21))
   (( segid "    " and resid 15   and name HN  ))
      3.700     1.700     1.700 peak   850 spectrum    1 weight  0.10000E+01 volume  0.36513E-03 ppm1      8.155 ppm2      9.033 CV     1
 ASSI {  851}
   (( segid "    " and resid 9    and name HE21))
   (( segid "    " and resid 10   and name HN  ))
      2.800     1.000     1.000 peak   851 spectrum    1 weight  0.10000E+01 volume  0.19985E-02 ppm1      8.153 ppm2      9.071 CV     1
 ASSI {  852}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      2.500     0.800     0.800 peak   852 spectrum    1 weight  0.10000E+01 volume  0.41217E-02 ppm1      8.299 ppm2      9.033 CV     1
 ASSI {  853}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      3.700     1.800     1.800 peak   853 spectrum    1 weight  0.10000E+01 volume  0.34049E-03 ppm1      8.304 ppm2      9.068 CV     1
 ASSI {  854}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      3.200     1.300     1.300 peak   854 spectrum    1 weight  0.10000E+01 volume  0.79907E-03 ppm1      8.595 ppm2      9.068 CV     1
 ASSI {  855}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      3.500     1.600     1.600 peak   855 spectrum    1 weight  0.10000E+01 volume  0.48514E-03 ppm1      8.661 ppm2      9.068 CV     1
 ASSI {  856}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      4.300     2.300     2.000 peak   856 spectrum    1 weight  0.10000E+01 volume  0.15469E-03 ppm1      8.504 ppm2      9.070 CV     1
 ASSI {  859}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      2.500     0.800     0.800 peak   859 spectrum    1 weight  0.10000E+01 volume  0.36225E-02 ppm1      8.602 ppm2      8.862 CV     1
 ASSI {  862}
   (( segid "    " and resid 9    and name HE22))
   (( segid "    " and resid 14   and name HN  ))
      3.600     1.600     1.600 peak   862 spectrum    1 weight  0.10000E+01 volume  0.41921E-03 ppm1      6.198 ppm2      8.306 CV     1
 ASSI {  864}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 19   and name HE  ))
      2.700     0.900     0.900 peak   864 spectrum    1 weight  0.10000E+01 volume  0.22193E-02 ppm1      6.832 ppm2      8.121 CV     1
 ASSI {  865}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 19   and name HH21))
      3.500     1.600     1.600 peak   865 spectrum    1 weight  0.10000E+01 volume  0.48834E-03 ppm1      6.838 ppm2      8.025 CV     1
 ASSI {  868}
   (( segid "    " and resid 17   and name HZ  ))
   (( segid "    " and resid 15   and name HD1 ))
      4.200     2.200     2.100 peak   868 spectrum    1 weight  0.10000E+01 volume  0.17415E-03 ppm1      6.460 ppm2      7.783 CV     1
 ASSI {  871}
   (  segid "    " and resid 17   and name HE% )
   (( segid "    " and resid 15   and name HD1 ))
      3.800     1.800     1.800 peak   871 spectrum    1 weight  0.10000E+01 volume  0.31902E-03 ppm1      6.960 ppm2      7.785 CV     1
 ASSI {  873}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 29   and name HN  ))
      3.800     1.800     1.800 peak   873 spectrum    1 weight  0.10000E+01 volume  0.29425E-03 ppm1      6.790 ppm2      7.661 CV     1
 ASSI {  877}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      2.400     0.700     0.700 peak   877 spectrum    1 weight  0.10000E+01 volume  0.53538E-02 ppm1      7.127 ppm2      7.966 CV     1
 ASSI {  879}
   (  segid "    " and resid 8    and name HD% )
   (( segid "    " and resid 8    and name HN  ))
      2.400     0.700     0.700 peak   879 spectrum    1 weight  0.10000E+01 volume  0.47650E-02 ppm1      7.177 ppm2      8.227 CV     1
 ASSI {  880}
   (  segid "    " and resid 8    and name HE% )
   (( segid "    " and resid 8    and name HN  ))
      3.100     3.100     2.900 peak   880 spectrum    1 weight  0.10000E+01 volume  0.98723E-03 ppm1      7.401 ppm2      8.225 CV     1
 ASSI {  881}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      3.500     1.600     1.600 peak   881 spectrum    1 weight  0.10000E+01 volume  0.47074E-03 ppm1      7.395 ppm2      8.283 CV     1
 ASSI {  882}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      2.700     0.900     0.900 peak   882 spectrum    1 weight  0.10000E+01 volume  0.26036E-02 ppm1      7.579 ppm2      8.287 CV     1
 ASSI {  883}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      3.200     1.300     1.300 peak   883 spectrum    1 weight  0.10000E+01 volume  0.92227E-03 ppm1      7.736 ppm2      8.289 CV     1
 ASSI {  884}
   (( segid "    " and resid 15   and name HD1 ))
   (( segid "    " and resid 14   and name HN  ))
      3.300     1.400     1.400 peak   884 spectrum    1 weight  0.10000E+01 volume  0.67746E-03 ppm1      7.777 ppm2      8.304 CV     1
 ASSI {  885}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      2.700     0.900     0.900 peak   885 spectrum    1 weight  0.10000E+01 volume  0.23898E-02 ppm1      7.896 ppm2      8.304 CV     1
 ASSI {  886}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      2.400     0.700     0.700 peak   886 spectrum    1 weight  0.10000E+01 volume  0.49378E-02 ppm1      7.500 ppm2      7.965 CV     1
 ASSI {  887}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      3.400     1.400     1.400 peak   887 spectrum    1 weight  0.10000E+01 volume  0.61442E-03 ppm1      7.313 ppm2      7.962 CV     1
 ASSI {  888}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 19   and name HH21))
      4.200     2.200     2.100 peak   888 spectrum    1 weight  0.10000E+01 volume  0.16881E-03 ppm1      7.317 ppm2      8.027 CV     1
 ASSI {  889}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 19   and name HE  ))
      3.400     1.400     1.400 peak   889 spectrum    1 weight  0.10000E+01 volume  0.61762E-03 ppm1      7.311 ppm2      8.121 CV     1
 ASSI {  890}
   (( segid "    " and resid 15   and name HE3 ))
   (( segid "    " and resid 15   and name HD1 ))
      2.600     2.600     3.400 peak   890 spectrum    1 weight  0.10000E+01 volume  0.32545E-02 ppm1      7.444 ppm2      7.782 CV     1
 ASSI {  893}
   (( segid "    " and resid 15   and name HZ3 ))
   (( segid "    " and resid 16   and name HN  ))
      2.800     2.800     3.200 peak   893 spectrum    1 weight  0.10000E+01 volume  0.19607E-02 ppm1      7.229 ppm2      7.712 CV     1
 ASSI {  894}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      2.300     0.700     0.700 peak   894 spectrum    1 weight  0.10000E+01 volume  0.63394E-02 ppm1      7.392 ppm2      7.664 CV     1
 ASSI {  895}
   (( segid "    " and resid 15   and name HZ2 ))
   (( segid "    " and resid 15   and name HD1 ))
      3.200     3.200     2.800 peak   895 spectrum    1 weight  0.10000E+01 volume  0.83331E-03 ppm1      7.570 ppm2      7.780 CV     1
 ASSI {  897}
   (( segid "    " and resid 17   and name HZ  ))
   (( segid "    " and resid 26   and name HN  ))
      3.500     1.600     1.600 peak   897 spectrum    1 weight  0.10000E+01 volume  0.48194E-03 ppm1      6.458 ppm2      7.498 CV     1
 ASSI {  898}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 25   and name HN  ))
      3.600     3.600     2.400 peak   898 spectrum    1 weight  0.10000E+01 volume  0.45666E-03 ppm1      6.832 ppm2      7.500 CV     1
 ASSI {  899}
   (( segid "    " and resid 22   and name HD2 ))
   (  segid "    " and resid 17   and name HD% )
      5.100     3.200     1.200 peak   899 spectrum    1 weight  0.10000E+01 volume  0.56162E-04 ppm1      6.825 ppm2      7.448 CV     1
 ASSI {  900}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 30   and name HN  ))
      2.900     2.900     3.100 peak   900 spectrum    1 weight  0.10000E+01 volume  0.15485E-02 ppm1      6.789 ppm2      7.392 CV     1
 ASSI {  902}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 26   and name HD2 ))
      2.600     2.600     3.400 peak   902 spectrum    1 weight  0.10000E+01 volume  0.28484E-02 ppm1      6.789 ppm2      7.228 CV     1
 ASSI {  904}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 22   and name HN  ))
      2.700     0.900     0.900 peak   904 spectrum    1 weight  0.10000E+01 volume  0.26807E-02 ppm1      6.835 ppm2      7.319 CV     1
 ASSI {  905}
   (  segid "    " and resid 17   and name HE% )
   (( segid "    " and resid 26   and name HN  ))
      3.800     1.800     1.800 peak   905 spectrum    1 weight  0.10000E+01 volume  0.32225E-03 ppm1      6.962 ppm2      7.502 CV     1
 ASSI {  910}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      2.400     0.700     0.700 peak   910 spectrum    1 weight  0.10000E+01 volume  0.44258E-02 ppm1      7.125 ppm2      7.317 CV     1
 ASSI {  911}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      3.200     1.200     1.200 peak   911 spectrum    1 weight  0.10000E+01 volume  0.95715E-03 ppm1      7.126 ppm2      7.501 CV     1
 ASSI {  913}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      2.400     0.700     0.700 peak   913 spectrum    1 weight  0.10000E+01 volume  0.43906E-02 ppm1      7.391 ppm2      7.583 CV     1
 ASSI {  914}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 6    and name HA  ))
      3.200     1.300     1.300 peak   914 spectrum    1 weight  0.10000E+01 volume  0.80131E-03 ppm1      4.748 ppm2      4.497 CV     1
 ASSI {  915}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 11   and name HD2 ))
      2.400     0.700     0.700 peak   915 spectrum    1 weight  0.10000E+01 volume  0.46466E-02 ppm1      4.789 ppm2      4.328 CV     1
 OR {  915}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 11   and name HD3 ))
 ASSI {  916}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 9    and name HA  ))
      2.700     0.900     0.900 peak   916 spectrum    1 weight  0.10000E+01 volume  0.26526E-02 ppm1      5.164 ppm2      4.308 CV     1
 ASSI {  917}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 7    and name HA  ))
      3.500     3.500     2.500 peak   917 spectrum    1 weight  0.10000E+01 volume  0.47650E-03 ppm1      4.754 ppm2      4.232 CV     1
 ASSI {  918}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 27   and name HD2 ))
      2.000     0.500     0.500 peak   918 spectrum    1 weight  0.10000E+01 volume  0.13888E-01 ppm1      4.331 ppm2      4.119 CV     1
 ASSI {  919}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 5    and name HA  ))
      3.400     1.400     1.400 peak   919 spectrum    1 weight  0.10000E+01 volume  0.62402E-03 ppm1      4.489 ppm2      4.043 CV     1
 ASSI {  920}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.600     2.600     3.400 peak   920 spectrum    1 weight  0.10000E+01 volume  0.32161E-02 ppm1      4.309 ppm2      3.794 CV     1
 ASSI {  921}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 10   and name HB3 ))
      3.100     1.200     1.200 peak   921 spectrum    1 weight  0.10000E+01 volume  0.10836E-02 ppm1      4.320 ppm2      3.650 CV     1
 OR {  921}
   (( segid "    " and resid 11   and name HD3 ))
   (( segid "    " and resid 10   and name HB3 ))
 ASSI {  922}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 16   and name HB3 ))
      2.800     2.800     3.200 peak   922 spectrum    1 weight  0.10000E+01 volume  0.20500E-02 ppm1      4.308 ppm2      3.596 CV     1
 ASSI {  923}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HD3 ))
      2.200     0.600     0.600 peak   923 spectrum    1 weight  0.10000E+01 volume  0.78723E-02 ppm1      4.499 ppm2      3.668 CV     1
 ASSI {  924}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HD2 ))
      2.200     0.600     0.600 peak   924 spectrum    1 weight  0.10000E+01 volume  0.94627E-02 ppm1      4.498 ppm2      3.724 CV     1
 ASSI {  925}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 7    and name HD2 ))
      2.600     0.800     0.800 peak   925 spectrum    1 weight  0.10000E+01 volume  0.33057E-02 ppm1      4.751 ppm2      3.723 CV     1
 ASSI {  927}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 7    and name HD3 ))
      2.400     2.400     3.600 peak   927 spectrum    1 weight  0.10000E+01 volume  0.45410E-02 ppm1      4.751 ppm2      3.667 CV     1
 ASSI {  931}
   (( segid "    " and resid 27   and name HD2 ))
   (( segid "    " and resid 27   and name HD3 ))
      2.800     1.000     1.000 peak   931 spectrum    1 weight  0.10000E+01 volume  0.20206E-02 ppm1      4.124 ppm2      3.320 CV     1
 ASSI {  933}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 23   and name HA  ))
      3.600     3.600     2.400 peak   933 spectrum    1 weight  0.10000E+01 volume  0.40993E-03 ppm1      4.023 ppm2      3.466 CV     1
 ASSI {  935}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
      3.500     1.600     1.600 peak   935 spectrum    1 weight  0.10000E+01 volume  0.48578E-03 ppm1      4.613 ppm2      3.476 CV     1
 ASSI {  937}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 20   and name HB3 ))
      3.100     1.200     1.200 peak   937 spectrum    1 weight  0.10000E+01 volume  0.10874E-02 ppm1      4.615 ppm2      3.174 CV     1
 ASSI {  938}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 20   and name HA  ))
      3.000     3.000     3.000 peak   938 spectrum    1 weight  0.10000E+01 volume  0.12304E-02 ppm1      4.607 ppm2      3.112 CV     1
 ASSI {  939}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 26   and name HB2 ))
      3.900     1.900     1.900 peak   939 spectrum    1 weight  0.10000E+01 volume  0.27572E-03 ppm1      4.331 ppm2      3.187 CV     1
 ASSI {  940}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 8    and name HB2 ))
      3.500     3.500     2.500 peak   940 spectrum    1 weight  0.10000E+01 volume  0.47778E-03 ppm1      4.233 ppm2      3.034 CV     1
 OR {  940}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 8    and name HB3 ))
 ASSI {  943}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 10   and name HB2 ))
      2.700     2.700     3.300 peak   943 spectrum    1 weight  0.10000E+01 volume  0.26558E-02 ppm1      4.321 ppm2      2.828 CV     1
 OR {  943}
   (( segid "    " and resid 11   and name HD3 ))
   (( segid "    " and resid 10   and name HB2 ))
 ASSI {  945}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HD2 ))
      3.000     3.000     3.000 peak   945 spectrum    1 weight  0.10000E+01 volume  0.13815E-02 ppm1      4.041 ppm2      2.868 CV     1
 OR {  945}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HD3 ))
 ASSI {  946}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 8    and name HB2 ))
      2.900     1.000     1.000 peak   946 spectrum    1 weight  0.10000E+01 volume  0.16900E-02 ppm1      3.747 ppm2      3.028 CV     1
 ASSI {  950}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 22   and name HB2 ))
      2.900     1.100     1.100 peak   950 spectrum    1 weight  0.10000E+01 volume  0.15101E-02 ppm1      3.746 ppm2      3.280 CV     1
 ASSI {  951}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 15   and name HB2 ))
      3.300     1.400     1.400 peak   951 spectrum    1 weight  0.10000E+01 volume  0.71395E-03 ppm1      3.646 ppm2      2.720 CV     1
 ASSI {  954}
   (( segid "    " and resid 27   and name HD2 ))
   (( segid "    " and resid 27   and name HG2 ))
      2.900     1.000     1.000 peak   954 spectrum    1 weight  0.10000E+01 volume  0.17335E-02 ppm1      4.115 ppm2      2.363 CV     1
 ASSI {  955}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      3.200     1.300     1.300 peak   955 spectrum    1 weight  0.10000E+01 volume  0.85315E-03 ppm1      4.797 ppm2      2.362 CV     1
 ASSI {  956}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
      3.100     1.200     1.200 peak   956 spectrum    1 weight  0.10000E+01 volume  0.96739E-03 ppm1      4.930 ppm2      2.703 CV     1
 ASSI {  957}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HG2 ))
      3.200     1.300     1.300 peak   957 spectrum    1 weight  0.10000E+01 volume  0.91555E-03 ppm1      4.498 ppm2      1.875 CV     1
 ASSI {  958}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HG3 ))
      3.200     1.300     1.300 peak   958 spectrum    1 weight  0.10000E+01 volume  0.81507E-03 ppm1      4.501 ppm2      1.791 CV     1
 ASSI {  959}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 7    and name HG3 ))
      3.300     1.400     1.400 peak   959 spectrum    1 weight  0.10000E+01 volume  0.67618E-03 ppm1      4.748 ppm2      1.792 CV     1
 ASSI {  960}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 7    and name HG2 ))
      3.500     1.500     1.500 peak   960 spectrum    1 weight  0.10000E+01 volume  0.49826E-03 ppm1      4.749 ppm2      1.874 CV     1
 ASSI {  961}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
      3.000     3.000     3.000 peak   961 spectrum    1 weight  0.10000E+01 volume  0.12826E-02 ppm1      4.034 ppm2      2.036 CV     1
 ASSI {  963}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 27   and name HB2 ))
      3.400     1.500     1.500 peak   963 spectrum    1 weight  0.10000E+01 volume  0.57666E-03 ppm1      4.037 ppm2      2.177 CV     1
 ASSI {  968}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 6    and name HB2 ))
      3.600     1.700     1.700 peak   968 spectrum    1 weight  0.10000E+01 volume  0.40129E-03 ppm1      5.154 ppm2      1.533 CV     1
 ASSI {  969}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 23   and name HD1%)
      2.300     0.600     0.600 peak   969 spectrum    1 weight  0.10000E+01 volume  0.69058E-02 ppm1      4.792 ppm2      1.197 CV     1
 ASSI {  970}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 23   and name HD2%)
      3.100     1.200     1.200 peak   970 spectrum    1 weight  0.10000E+01 volume  0.10986E-02 ppm1      4.792 ppm2      1.098 CV     1
 ASSI {  971}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 23   and name HD2%)
      2.800     1.000     1.000 peak   971 spectrum    1 weight  0.10000E+01 volume  0.18705E-02 ppm1      4.696 ppm2      1.098 CV     1
 ASSI {  972}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 23   and name HD2%)
      3.100     1.200     1.200 peak   972 spectrum    1 weight  0.10000E+01 volume  0.10874E-02 ppm1      4.307 ppm2      1.097 CV     1
 ASSI {  973}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 24   and name HB% )
      2.200     0.600     0.600 peak   973 spectrum    1 weight  0.10000E+01 volume  0.91811E-02 ppm1      4.305 ppm2      1.436 CV     1
 ASSI {  974}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 25   and name HB3 ))
      2.900     1.100     1.100 peak   974 spectrum    1 weight  0.10000E+01 volume  0.15594E-02 ppm1      4.337 ppm2      1.555 CV     1
 ASSI {  975}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
      2.500     0.800     0.800 peak   975 spectrum    1 weight  0.10000E+01 volume  0.35937E-02 ppm1      4.334 ppm2      1.645 CV     1
 ASSI {  976}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HD2 ))
      5.200     3.400     1.100 peak   976 spectrum    1 weight  0.10000E+01 volume  0.45570E-04 ppm1      4.496 ppm2      1.618 CV     1
 ASSI {  977}
   (( segid "    " and resid 27   and name HD2 ))
   (  segid "    " and resid 23   and name HD2%)
      3.300     1.300     1.300 peak   977 spectrum    1 weight  0.10000E+01 volume  0.77123E-03 ppm1      4.121 ppm2      1.102 CV     1
 ASSI {  978}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 23   and name HD2%)
      4.100     2.100     2.100 peak   978 spectrum    1 weight  0.10000E+01 volume  0.19191E-03 ppm1      3.965 ppm2      1.099 CV     1
 ASSI {  979}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HG3 ))
      2.800     1.000     1.000 peak   979 spectrum    1 weight  0.10000E+01 volume  0.19117E-02 ppm1      4.043 ppm2      1.099 CV     1
 ASSI {  980}
   (( segid "    " and resid 27   and name HD2 ))
   (  segid "    " and resid 23   and name HD1%)
      2.900     1.100     1.100 peak   980 spectrum    1 weight  0.10000E+01 volume  0.14676E-02 ppm1      4.115 ppm2      1.199 CV     1
 ASSI {  981}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HG2 ))
      2.400     2.400     3.600 peak   981 spectrum    1 weight  0.10000E+01 volume  0.48802E-02 ppm1      4.043 ppm2      1.299 CV     1
 ASSI {  982}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB2 ))
      2.200     0.600     0.600 peak   982 spectrum    1 weight  0.10000E+01 volume  0.76835E-02 ppm1      4.041 ppm2      1.470 CV     1
 ASSI {  983}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HG2 ))
      2.200     2.200     3.800 peak   983 spectrum    1 weight  0.10000E+01 volume  0.80803E-02 ppm1      4.037 ppm2      1.700 CV     1
 ASSI {  984}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 23   and name HG  ))
      3.000     1.100     1.100 peak   984 spectrum    1 weight  0.10000E+01 volume  0.13568E-02 ppm1      3.962 ppm2      1.650 CV     1
 ASSI {  986}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 23   and name HB3 ))
      3.800     1.800     1.800 peak   986 spectrum    1 weight  0.10000E+01 volume  0.29767E-03 ppm1      3.962 ppm2      1.979 CV     1
 ASSI {  987}
   (( segid "    " and resid 4    and name HA2 ))
   (( segid "    " and resid 5    and name HB  ))
      3.600     1.600     1.600 peak   987 spectrum    1 weight  0.10000E+01 volume  0.45570E-03 ppm1      3.931 ppm2      1.791 CV     1
 OR {  987}
   (( segid "    " and resid 4    and name HA1 ))
   (( segid "    " and resid 5    and name HB  ))
 ASSI {  988}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 6    and name HB2 ))
      3.300     1.400     1.400 peak   988 spectrum    1 weight  0.10000E+01 volume  0.71939E-03 ppm1      3.791 ppm2      1.535 CV     1
 ASSI {  989}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 6    and name HB2 ))
      2.700     0.900     0.900 peak   989 spectrum    1 weight  0.10000E+01 volume  0.22698E-02 ppm1      3.600 ppm2      1.538 CV     1
 ASSI {  990}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 6    and name HG2 ))
      3.700     1.800     1.800 peak   990 spectrum    1 weight  0.10000E+01 volume  0.34113E-03 ppm1      3.726 ppm2      1.330 CV     1
 ASSI {  993}
   (( segid "    " and resid 10   and name HB3 ))
   (  segid "    " and resid 23   and name HD1%)
      3.200     1.300     1.300 peak   993 spectrum    1 weight  0.10000E+01 volume  0.86819E-03 ppm1      3.643 ppm2      1.196 CV     1
 ASSI {  995}
   (( segid "    " and resid 7    and name HD3 ))
   (( segid "    " and resid 6    and name HG2 ))
      3.500     1.600     1.600 peak   995 spectrum    1 weight  0.10000E+01 volume  0.47906E-03 ppm1      3.670 ppm2      1.331 CV     1
 ASSI {  996}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB2 ))
      2.300     0.600     0.600 peak   996 spectrum    1 weight  0.10000E+01 volume  0.70082E-02 ppm1      4.033 ppm2      1.874 CV     1
 ASSI {  997}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 6    and name HG3 ))
      3.500     1.600     1.600 peak   997 spectrum    1 weight  0.10000E+01 volume  0.47874E-03 ppm1      4.749 ppm2      1.264 CV     1
 ASSI {  998}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 8    and name HB3 ))
      3.400     1.500     1.500 peak   998 spectrum    1 weight  0.10000E+01 volume  0.56130E-03 ppm1      3.465 ppm2      3.031 CV     1
 OR {  998}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 8    and name HB2 ))
 ASSI { 1000}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 26   and name HB3 ))
      2.700     0.900     0.900 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.24241E-02 ppm1      3.463 ppm2      2.822 CV     1
 ASSI { 1001}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
      3.200     1.300     1.300 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.88419E-03 ppm1      3.458 ppm2      2.858 CV     1
 ASSI { 1002}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 17   and name HB2 ))
      3.100     1.200     1.200 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.11136E-02 ppm1      3.286 ppm2      2.864 CV     1
 ASSI { 1003}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 17   and name HB2 ))
      2.300     2.300     3.700 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.65378E-02 ppm1      3.030 ppm2      2.864 CV     1
 ASSI { 1004}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 14   and name HB2 ))
      3.300     1.300     1.300 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.77539E-03 ppm1      3.398 ppm2      2.705 CV     1
 OR { 1004}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 14   and name HB3 ))
 ASSI { 1005}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 23   and name HB3 ))
      3.000     1.100     1.100 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.13732E-02 ppm1      3.109 ppm2      1.980 CV     1
 ASSI { 1006}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 23   and name HB3 ))
      2.900     1.100     1.100 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.14311E-02 ppm1      3.029 ppm2      1.980 CV     1
 OR { 1006}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 23   and name HB3 ))
 ASSI { 1007}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 23   and name HB3 ))
      3.300     1.300     1.300 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.78467E-03 ppm1      2.860 ppm2      1.982 CV     1
 ASSI { 1014}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 19   and name HG3 ))
      3.300     1.400     1.400 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.73315E-03 ppm1      3.288 ppm2      1.385 CV     1
 OR { 1014}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 12   and name HB3 ))
 ASSI { 1016}
   (( segid "    " and resid 26   and name HB2 ))
   (  segid "    " and resid 23   and name HD1%)
      2.900     2.900     3.100 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.14698E-02 ppm1      3.187 ppm2      1.196 CV     1
 ASSI { 1017}
   (( segid "    " and resid 8    and name HB3 ))
   (  segid "    " and resid 23   and name HD1%)
      3.100     1.200     1.200 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.10679E-02 ppm1      3.029 ppm2      1.196 CV     1
 OR { 1017}
   (( segid "    " and resid 8    and name HB2 ))
   (  segid "    " and resid 23   and name HD1%)
 ASSI { 1018}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 23   and name HD1%)
      2.500     0.800     0.800 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.34753E-02 ppm1      2.829 ppm2      1.198 CV     1
 ASSI { 1023}
   (( segid "    " and resid 29   and name HD2 ))
   (( segid "    " and resid 29   and name HG3 ))
      2.200     0.600     0.600 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.78211E-02 ppm1      2.871 ppm2      1.099 CV     1
 OR { 1023}
   (( segid "    " and resid 29   and name HD3 ))
   (( segid "    " and resid 29   and name HG3 ))
 ASSI { 1024}
   (( segid "    " and resid 8    and name HB3 ))
   (  segid "    " and resid 23   and name HD2%)
      2.100     0.600     0.600 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.97827E-02 ppm1      3.029 ppm2      1.100 CV     1
 ASSI { 1025}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 23   and name HD2%)
      3.100     1.200     1.200 peak  1025 spectrum    1 weight  0.10000E+01 volume  0.10916E-02 ppm1      3.114 ppm2      1.099 CV     1
 ASSI { 1027}
   (( segid "    " and resid 21   and name HB3 ))
   (  segid "    " and resid 24   and name HB% )
      2.700     2.700     3.300 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.22289E-02 ppm1      2.602 ppm2      1.431 CV     1
 ASSI { 1028}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 24   and name HB% )
      3.600     1.600     1.600 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.41825E-03 ppm1      2.736 ppm2      1.434 CV     1
 ASSI { 1029}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 19   and name HB3 ))
      3.100     1.200     1.200 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.10884E-02 ppm1      3.276 ppm2      1.049 CV     1
 ASSI { 1032}
   (( segid "    " and resid 29   and name HG2 ))
   (( segid "    " and resid 29   and name HG3 ))
      1.900     0.400     0.400 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.22087E-01 ppm1      1.295 ppm2      1.097 CV     1
 ASSI { 1033}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HG3 ))
      2.500     0.800     0.800 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.35873E-02 ppm1      1.871 ppm2      1.486 CV     1
 ASSI { 1035}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 31   and name HB2 ))
      1.800     0.400     0.400 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.28331E-01 ppm1      2.168 ppm2      2.030 CV     1
 ASSI { 1040}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      6.000     4.500     0.300 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.499 ppm2      8.528 CV     1
 ASSI { 1045}
   (( segid "    " and resid 3    and name HB  ))
   (( segid "    " and resid 3    and name HN  ))
      3.200     1.300     1.300 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.86755E-03 ppm1      4.259 ppm2      8.422 CV     1
 ASSI { 1046}
   (( segid "    " and resid 3    and name HB  ))
   (  segid "    " and resid 3    and name HG2%)
      2.400     0.700     0.700 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.48674E-02 ppm1      4.262 ppm2      1.201 CV     1
 ASSI { 1047}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB3 ))
      2.500     0.800     0.800 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.37057E-02 ppm1      4.033 ppm2      1.829 CV     1
 ASSI { 1048}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 26   and name HD2 ))
      3.700     1.700     1.700 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.39009E-03 ppm1      1.094 ppm2      7.232 CV     1
 ASSI { 1049}
   (  segid "    " and resid 23   and name HD1%)
   (( segid "    " and resid 26   and name HD2 ))
      2.300     0.600     0.600 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.69026E-02 ppm1      1.196 ppm2      7.230 CV     1
 ASSI { 1050}
   (( segid "    " and resid 23   and name HG  ))
   (( segid "    " and resid 26   and name HD2 ))
      3.900     1.900     1.900 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.25691E-03 ppm1      1.635 ppm2      7.231 CV     1
 ASSI { 1051}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 26   and name HD2 ))
      3.800     1.800     1.800 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.31121E-03 ppm1      2.182 ppm2      7.233 CV     1
 ASSI { 1052}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 28   and name HN  ))
      3.300     1.400     1.400 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.74115E-03 ppm1      2.179 ppm2      7.253 CV     1
 ASSI { 1053}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 26   and name HD2 ))
      2.600     2.600     3.400 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.32929E-02 ppm1      2.632 ppm2      7.230 CV     1
 ASSI { 1054}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 26   and name HD2 ))
      3.000     1.100     1.100 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.12669E-02 ppm1      2.722 ppm2      7.231 CV     1
 ASSI { 1055}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 26   and name HD2 ))
      2.300     0.700     0.700 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.62946E-02 ppm1      2.827 ppm2      7.230 CV     1
 ASSI { 1056}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HD2 ))
      2.500     2.500     3.500 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.35041E-02 ppm1      3.187 ppm2      7.231 CV     1
 ASSI { 1059}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 26   and name HD2 ))
      3.300     1.300     1.300 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.77635E-03 ppm1      3.462 ppm2      7.230 CV     1
 ASSI { 1060}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 26   and name HD2 ))
      2.800     1.000     1.000 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.19994E-02 ppm1      3.644 ppm2      7.230 CV     1
 ASSI { 1061}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 26   and name HD2 ))
      2.700     2.700     3.300 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.26039E-02 ppm1      3.777 ppm2      7.229 CV     1
 ASSI { 1062}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HD2 ))
      3.600     1.600     1.600 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.45474E-03 ppm1      4.032 ppm2      7.230 CV     1
 ASSI { 1063}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      4.200     2.200     2.100 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.17178E-03 ppm1      3.774 ppm2      7.497 CV     1
 ASSI { 1066}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 26   and name HD2 ))
      3.200     1.300     1.300 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.93507E-03 ppm1      4.791 ppm2      7.229 CV     1
 ASSI { 1067}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 26   and name HD2 ))
      3.600     1.700     1.700 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.40705E-03 ppm1      4.323 ppm2      7.230 CV     1
 OR { 1067}
   (( segid "    " and resid 11   and name HD3 ))
   (( segid "    " and resid 26   and name HD2 ))
 ASSI { 1069}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 30   and name HD2 ))
      3.100     1.200     1.200 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.11210E-02 ppm1      2.184 ppm2      6.794 CV     1
 ASSI { 1071}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
      4.100     2.100     2.100 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.20913E-03 ppm1      2.187 ppm2      7.502 CV     1
 ASSI { 1074}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HE  ))
      2.700     0.900     0.900 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.26948E-02 ppm1      2.184 ppm2      8.077 CV     1
 ASSI { 1075}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 27   and name HE  ))
      3.700     1.700     1.700 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.36737E-03 ppm1      2.068 ppm2      8.077 CV     1
 ASSI { 1079}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 27   and name HE  ))
      3.100     1.200     1.200 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.11335E-02 ppm1      4.327 ppm2      8.075 CV     1
 ASSI { 1081}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 27   and name HE  ))
      4.000     2.000     2.000 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.22919E-03 ppm1      4.792 ppm2      8.078 CV     1
 ASSI { 1087}
   (  segid "    " and resid 17   and name HE% )
   (( segid "    " and resid 15   and name HZ3 ))
      2.400     2.400     3.600 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.52290E-02 ppm1      6.959 ppm2      7.228 CV     1
 ASSI { 1088}
   (( segid "    " and resid 17   and name HZ  ))
   (( segid "    " and resid 26   and name HD2 ))
      2.600     2.600     3.400 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.27246E-02 ppm1      6.457 ppm2      7.230 CV     1
 ASSI { 1089}
   (( segid "    " and resid 26   and name HD2 ))
   (( segid "    " and resid 15   and name HD1 ))
      3.400     1.500     1.500 peak  1089 spectrum    1 weight  0.10000E+01 volume  0.57218E-03 ppm1      7.234 ppm2      7.782 CV     1
 ASSI { 1090}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      2.500     0.800     0.800 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.42497E-02 ppm1      7.246 ppm2      7.663 CV     1
 ASSI { 1100}
   (( segid "    " and resid 27   and name HB2 ))
   (  segid "    " and resid 23   and name HD2%)
      4.000     2.000     2.000 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.22890E-03 ppm1      2.174 ppm2      1.107 CV     1
 OR { 1100}
   (( segid "    " and resid 9    and name HG3 ))
   (  segid "    " and resid 23   and name HD2%)
 OR { 1100}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 29   and name HG3 ))
 ASSI { 1101}
   (( segid "    " and resid 27   and name HB2 ))
   (  segid "    " and resid 23   and name HD1%)
      3.600     1.600     1.600 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.42690E-03 ppm1      2.175 ppm2      1.207 CV     1
 ASSI { 1113}
   (( segid "    " and resid 27   and name HD3 ))
   (  segid "    " and resid 24   and name HB% )
      4.100     2.100     2.100 peak  1113 spectrum    1 weight  0.10000E+01 volume  0.20516E-03 ppm1      3.312 ppm2      1.439 CV     1
 ASSI { 1119}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 27   and name HD3 ))
      3.200     1.300     1.300 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.91715E-03 ppm1      4.788 ppm2      3.323 CV     1
 ASSI { 1120}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 27   and name HD3 ))
      2.700     0.900     0.900 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.22612E-02 ppm1      4.334 ppm2      3.319 CV     1
 OR { 1120}
   (( segid "    " and resid 11   and name HD3 ))
   (( segid "    " and resid 27   and name HD3 ))
 ASSI { 1124}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 27   and name HN  ))
      4.800     2.900     1.500 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.77347E-04 ppm1      1.099 ppm2      8.532 CV     1
 ASSI { 1125}
   (  segid "    " and resid 23   and name HD1%)
   (( segid "    " and resid 27   and name HN  ))
      3.300     1.300     1.300 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.75843E-03 ppm1      1.198 ppm2      8.528 CV     1
 ASSI { 1127}
   (( segid "    " and resid 23   and name HG  ))
   (( segid "    " and resid 27   and name HN  ))
      3.400     1.500     1.500 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.57538E-03 ppm1      1.646 ppm2      8.528 CV     1
 ASSI { 1128}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 27   and name HN  ))
      3.700     1.700     1.700 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.36577E-03 ppm1      1.438 ppm2      8.529 CV     1
 ASSI { 1129}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 27   and name HN  ))
      2.400     2.400     3.600 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.53506E-02 ppm1      1.877 ppm2      8.530 CV     1
 ASSI { 1130}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
      2.600     0.800     0.800 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.33441E-02 ppm1      2.188 ppm2      8.529 CV     1
 ASSI { 1131}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 27   and name HN  ))
      2.800     1.000     1.000 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.19578E-02 ppm1      2.350 ppm2      8.529 CV     1
 ASSI { 1132}
   (( segid "    " and resid 27   and name HG3 ))
   (( segid "    " and resid 27   and name HN  ))
      2.800     1.000     1.000 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.19508E-02 ppm1      2.299 ppm2      8.531 CV     1
 ASSI { 1133}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 27   and name HE  ))
      2.900     1.100     1.100 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.15418E-02 ppm1      1.883 ppm2      8.076 CV     1
 ASSI { 1134}
   (( segid "    " and resid 23   and name HG  ))
   (( segid "    " and resid 27   and name HE  ))
      4.800     2.800     1.500 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.81283E-04 ppm1      1.637 ppm2      8.073 CV     1
 ASSI { 1135}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 27   and name HE  ))
      2.800     1.000     1.000 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.19217E-02 ppm1      2.346 ppm2      8.076 CV     1
 ASSI { 1136}
   (( segid "    " and resid 27   and name HG3 ))
   (( segid "    " and resid 27   and name HE  ))
      2.700     2.700     3.300 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.25082E-02 ppm1      2.300 ppm2      8.076 CV     1
 ASSI { 1138}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      3.400     1.400     1.400 peak  1138 spectrum    1 weight  0.10000E+01 volume  0.60674E-03 ppm1      3.462 ppm2      8.529 CV     1
 ASSI { 1139}
   (( segid "    " and resid 27   and name HD3 ))
   (( segid "    " and resid 27   and name HN  ))
      2.900     2.900     3.100 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.14650E-02 ppm1      3.316 ppm2      8.528 CV     1
 ASSI { 1140}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
      2.500     2.500     3.500 peak  1140 spectrum    1 weight  0.10000E+01 volume  0.36001E-02 ppm1      3.187 ppm2      8.529 CV     1
 ASSI { 1141}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      2.500     0.800     0.800 peak  1141 spectrum    1 weight  0.10000E+01 volume  0.36577E-02 ppm1      3.777 ppm2      8.528 CV     1
 ASSI { 1142}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HE  ))
      3.300     1.400     1.400 peak  1142 spectrum    1 weight  0.10000E+01 volume  0.68258E-03 ppm1      3.780 ppm2      8.076 CV     1
 ASSI { 1143}
   (( segid "    " and resid 27   and name HD3 ))
   (( segid "    " and resid 27   and name HE  ))
      2.300     0.700     0.700 peak  1143 spectrum    1 weight  0.10000E+01 volume  0.60450E-02 ppm1      3.313 ppm2      8.077 CV     1
 ASSI { 1144}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      3.800     1.800     1.800 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.32385E-03 ppm1      7.667 ppm2      8.529 CV     1
 ASSI { 1145}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      4.300     2.300     2.000 peak  1145 spectrum    1 weight  0.10000E+01 volume  0.15357E-03 ppm1      7.406 ppm2      8.532 CV     1
 ASSI { 1146}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      2.300     0.700     0.700 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.63074E-02 ppm1      7.247 ppm2      8.529 CV     1
 ASSI { 1148}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 27   and name HN  ))
      3.700     1.700     1.700 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.36065E-03 ppm1      6.783 ppm2      8.529 CV     1
 ASSI { 1149}
   (( segid "    " and resid 26   and name HD2 ))
   (( segid "    " and resid 27   and name HE  ))
      3.500     1.500     1.500 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.54690E-03 ppm1      7.231 ppm2      8.077 CV     1
 ASSI { 1150}
   (( segid "    " and resid 27   and name HE  ))
   (( segid "    " and resid 27   and name HN  ))
      3.200     3.200     2.800 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.95523E-03 ppm1      8.080 ppm2      8.538 CV     1
 ASSI { 1151}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 26   and name HN  ))
      3.200     3.200     2.800 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.82787E-03 ppm1      1.875 ppm2      7.502 CV     1
 ASSI { 1152}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 30   and name HD2 ))
      3.200     1.300     1.300 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.88899E-03 ppm1      1.879 ppm2      6.794 CV     1
 ASSI { 1154}
   (( segid "    " and resid 27   and name HD3 ))
   (( segid "    " and resid 26   and name HD2 ))
      2.900     2.900     3.100 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.16125E-02 ppm1      3.316 ppm2      7.232 CV     1
 ASSI { 1156}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      3.200     1.300     1.300 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.88195E-03 ppm1      3.775 ppm2      7.393 CV     1
 ASSI { 1157}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      3.200     1.300     1.300 peak  1157 spectrum    1 weight  0.10000E+01 volume  0.92643E-03 ppm1      3.779 ppm2      7.257 CV     1
 ASSI { 1158}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 30   and name HD2 ))
      2.100     0.600     0.600 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.10432E-01 ppm1      3.779 ppm2      6.794 CV     1
 ASSI { 1159}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      3.300     1.300     1.300 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.76227E-03 ppm1      3.778 ppm2      7.662 CV     1
 ASSI { 1160}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HB3 ))
      1.900     0.400     0.400 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.21444E-01 ppm1      2.183 ppm2      1.876 CV     1
 ASSI { 1161}
   (( segid "    " and resid 27   and name HG3 ))
   (( segid "    " and resid 27   and name HB3 ))
      2.600     0.800     0.800 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.32001E-02 ppm1      2.305 ppm2      1.874 CV     1
 ASSI { 1162}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 27   and name HB3 ))
      2.600     0.800     0.800 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.33537E-02 ppm1      2.352 ppm2      1.874 CV     1
 ASSI { 1163}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 23   and name HG  ))
      3.000     1.100     1.100 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.13607E-02 ppm1      2.348 ppm2      1.644 CV     1
 ASSI { 1165}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 27   and name HB2 ))
      2.200     2.200     3.800 peak  1165 spectrum    1 weight  0.10000E+01 volume  0.78691E-02 ppm1      2.351 ppm2      2.184 CV     1
 ASSI { 1166}
   (( segid "    " and resid 27   and name HG2 ))
   (  segid "    " and resid 23   and name HD2%)
      3.300     1.400     1.400 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.72835E-03 ppm1      2.346 ppm2      1.101 CV     1
 ASSI { 1167}
   (( segid "    " and resid 27   and name HG2 ))
   (  segid "    " and resid 23   and name HD1%)
      3.400     1.400     1.400 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.63106E-03 ppm1      2.346 ppm2      1.200 CV     1
 ASSI { 1168}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 27   and name HB2 ))
      3.300     1.400     1.400 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.67778E-03 ppm1      3.969 ppm2      2.187 CV     1
 ASSI { 1169}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 27   and name HG3 ))
      3.400     1.500     1.500 peak  1169 spectrum    1 weight  0.10000E+01 volume  0.57218E-03 ppm1      3.966 ppm2      2.299 CV     1
 ASSI { 1170}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 27   and name HG2 ))
      3.500     1.500     1.500 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.55330E-03 ppm1      3.966 ppm2      2.351 CV     1
 ASSI { 1171}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HG2 ))
      2.700     0.900     0.900 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.23793E-02 ppm1      3.778 ppm2      2.349 CV     1
 ASSI { 1172}
   (( segid "    " and resid 27   and name HD3 ))
   (( segid "    " and resid 27   and name HG2 ))
      2.300     0.600     0.600 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.67074E-02 ppm1      3.318 ppm2      2.348 CV     1
 ASSI { 1173}
   (( segid "    " and resid 27   and name HD3 ))
   (( segid "    " and resid 27   and name HG3 ))
      2.400     0.700     0.700 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.48482E-02 ppm1      3.319 ppm2      2.300 CV     1
 ASSI { 1174}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HG3 ))
      2.800     1.000     1.000 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.18596E-02 ppm1      3.778 ppm2      2.301 CV     1
 ASSI { 1175}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB2 ))
      2.400     0.700     0.700 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.52450E-02 ppm1      3.783 ppm2      2.186 CV     1
 ASSI { 1176}
   (( segid "    " and resid 27   and name HD3 ))
   (( segid "    " and resid 27   and name HB2 ))
      2.400     2.400     3.600 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.48258E-02 ppm1      3.320 ppm2      2.186 CV     1
 ASSI { 1177}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB3 ))
      2.700     0.900     0.900 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.23844E-02 ppm1      3.788 ppm2      1.875 CV     1
 ASSI { 1178}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 27   and name HB3 ))
      3.200     3.200     2.800 peak  1178 spectrum    1 weight  0.10000E+01 volume  0.91459E-03 ppm1      3.967 ppm2      1.879 CV     1
 ASSI { 1179}
   (( segid "    " and resid 27   and name HD3 ))
   (( segid "    " and resid 23   and name HG  ))
      2.400     0.700     0.700 peak  1179 spectrum    1 weight  0.10000E+01 volume  0.47458E-02 ppm1      3.318 ppm2      1.648 CV     1
 ASSI { 1180}
   (( segid "    " and resid 27   and name HD3 ))
   (( segid "    " and resid 27   and name HB3 ))
      2.400     0.700     0.700 peak  1180 spectrum    1 weight  0.10000E+01 volume  0.49954E-02 ppm1      3.318 ppm2      1.877 CV     1
 ASSI { 1181}
   (( segid "    " and resid 27   and name HD3 ))
   (  segid "    " and resid 23   and name HD1%)
      2.500     0.800     0.800 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.43170E-02 ppm1      3.318 ppm2      1.195 CV     1
 ASSI { 1183}
   (( segid "    " and resid 27   and name HD3 ))
   (  segid "    " and resid 23   and name HD2%)
      2.700     0.900     0.900 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.25031E-02 ppm1      3.320 ppm2      1.098 CV     1
 ASSI { 1184}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 30   and name HB3 ))
      3.800     1.800     1.800 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.29534E-03 ppm1      3.779 ppm2      3.159 CV     1
 ASSI { 1185}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HD3 ))
      2.900     2.900     3.100 peak  1185 spectrum    1 weight  0.10000E+01 volume  0.15805E-02 ppm1      3.781 ppm2      3.318 CV     1
 ASSI { 1186}
   (( segid "    " and resid 27   and name HG3 ))
   (( segid "    " and resid 30   and name HD2 ))
      3.000     1.100     1.100 peak  1186 spectrum    1 weight  0.10000E+01 volume  0.13850E-02 ppm1      2.298 ppm2      6.795 CV     1
 ASSI { 1187}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 30   and name HD2 ))
      3.000     1.100     1.100 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.13668E-02 ppm1      2.347 ppm2      6.794 CV     1
 ASSI { 1188}
   (( segid "    " and resid 27   and name HG3 ))
   (( segid "    " and resid 26   and name HD2 ))
      3.000     1.100     1.100 peak  1188 spectrum    1 weight  0.10000E+01 volume  0.13341E-02 ppm1      2.301 ppm2      7.230 CV     1
 ASSI { 1189}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 26   and name HD2 ))
      2.800     1.000     1.000 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.20020E-02 ppm1      2.352 ppm2      7.230 CV     1
 ASSI { 1190}
   (( segid "    " and resid 27   and name HG3 ))
   (( segid "    " and resid 28   and name HN  ))
      4.800     2.800     1.500 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.80099E-04 ppm1      2.301 ppm2      7.255 CV     1
 ASSI { 1191}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 28   and name HN  ))
      4.500     2.500     1.800 peak  1191 spectrum    1 weight  0.10000E+01 volume  0.11975E-03 ppm1      2.352 ppm2      7.254 CV     1
 ASSI { 1193}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 26   and name HD2 ))
      4.700     2.700     1.600 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.89475E-04 ppm1      1.454 ppm2      7.231 CV     1
 ASSI { 1194}
   (( segid "    " and resid 27   and name HG3 ))
   (( segid "    " and resid 26   and name HN  ))
      4.300     2.300     2.000 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.14202E-03 ppm1      2.302 ppm2      7.499 CV     1
 ASSI { 1195}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 26   and name HN  ))
      4.300     2.300     2.000 peak  1195 spectrum    1 weight  0.10000E+01 volume  0.14148E-03 ppm1      2.349 ppm2      7.499 CV     1
 ASSI { 1196}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      2.300     0.700     0.700 peak  1196 spectrum    1 weight  0.10000E+01 volume  0.59746E-02 ppm1      4.025 ppm2      7.501 CV     1
 OR { 1196}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
 ASSI { 1197}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 27   and name HD2 ))
      3.000     1.100     1.100 peak  1197 spectrum    1 weight  0.10000E+01 volume  0.12218E-02 ppm1      4.795 ppm2      4.121 CV     1
 ASSI { 1198}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 5    and name HD1%)
      3.800     1.800     1.800 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.33345E-03 ppm1      4.614 ppm2      1.420 CV     1
 ASSI { 1200}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 27   and name HD3 ))
      3.000     3.000     3.000 peak  1200 spectrum    1 weight  0.10000E+01 volume  0.13021E-02 ppm1      3.971 ppm2      3.320 CV     1
 ASSI { 1202}
   (( segid "    " and resid 29   and name HD3 ))
   (( segid "    " and resid 29   and name HG2 ))
      2.600     0.800     0.800 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.30609E-02 ppm1      2.873 ppm2      1.299 CV     1
 OR { 1202}
   (( segid "    " and resid 29   and name HD2 ))
   (( segid "    " and resid 29   and name HG2 ))
 ASSI { 1203}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 23   and name HD2%)
      3.500     1.500     1.500 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.53922E-03 ppm1      2.084 ppm2      1.106 CV     1
 OR { 1203}
   (( segid "    " and resid 9    and name HB3 ))
   (  segid "    " and resid 23   and name HD2%)
 OR { 1203}
   (( segid "    " and resid 11   and name HG2 ))
   (  segid "    " and resid 23   and name HD2%)
 ASSI { 1204}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HG13))
      2.500     0.800     0.800 peak  1204 spectrum    1 weight  0.10000E+01 volume  0.41249E-02 ppm1      1.423 ppm2      0.832 CV     1
 ASSI { 1205}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 5    and name HG13))
      2.900     1.100     1.100 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.15050E-02 ppm1      1.785 ppm2      0.832 CV     1
 ASSI { 1206}
   (( segid "    " and resid 5    and name HG12))
   (( segid "    " and resid 5    and name HG13))
      2.600     0.800     0.800 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.33185E-02 ppm1      1.139 ppm2      0.832 CV     1
 ASSI { 1207}
   (( segid "    " and resid 5    and name HG13))
   (( segid "    " and resid 6    and name HN  ))
      3.600     1.600     1.600 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.43394E-03 ppm1      0.834 ppm2      8.506 CV     1
 ASSI { 1208}
   (( segid "    " and resid 5    and name HG13))
   (( segid "    " and resid 5    and name HN  ))
      3.600     1.600     1.600 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.43170E-03 ppm1      0.833 ppm2      8.087 CV     1
 ASSI { 1210}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HD3 ))
      4.200     2.200     2.100 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.16637E-03 ppm1      4.496 ppm2      1.477 CV     1
 ASSI { 1211}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 17   and name HD% )
      3.800     1.800     1.800 peak  1211 spectrum    1 weight  0.10000E+01 volume  0.30279E-03 ppm1      4.329 ppm2      7.452 CV     1
 ASSI { 1212}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 17   and name HE% )
      4.000     2.000     2.000 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.23918E-03 ppm1      4.324 ppm2      6.958 CV     1
 OR { 1212}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 17   and name HE% )
 ASSI { 1213}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 9    and name HG3 ))
      1.900     0.500     0.500 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.17921E-01 ppm1      2.319 ppm2      2.184 CV     1
 ASSI { 1215}
   (( segid "    " and resid 27   and name HD2 ))
   (( segid "    " and resid 10   and name HB3 ))
      4.600     2.700     1.700 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.97699E-04 ppm1      4.108 ppm2      3.658 CV     1
 ASSI { 1216}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 10   and name HB3 ))
      4.400     2.400     1.900 peak  1216 spectrum    1 weight  0.10000E+01 volume  0.12746E-03 ppm1      5.167 ppm2      3.659 CV     1
 ASSI { 1217}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HE3 ))
      4.100     2.100     2.100 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.18804E-03 ppm1      4.111 ppm2      7.445 CV     1
 ASSI { 1218}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      4.000     2.000     2.000 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.22590E-03 ppm1      7.712 ppm2      8.664 CV     1
 ASSI { 1219}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 22   and name HB3 ))
      4.100     2.100     2.100 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.21278E-03 ppm1      3.747 ppm2      3.118 CV     1
 ASSI { 1221}
   (  segid "    " and resid 23   and name HD1%)
   (( segid "    " and resid 27   and name HE  ))
      4.500     2.500     1.800 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.11076E-03 ppm1      1.202 ppm2      8.076 CV     1
 OR { 1221}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 5    and name HN  ))
 ASSI { 1222}
   (( segid "    " and resid 29   and name HG3 ))
   (( segid "    " and resid 27   and name HE  ))
      5.700     4.000     0.600 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.28545E-04 ppm1      1.098 ppm2      8.077 CV     1
 OR { 1222}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 27   and name HE  ))
 ASSI { 1224}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 28   and name HN  ))
      5.200     3.300     1.100 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.49986E-04 ppm1      0.849 ppm2      7.252 CV     1
 OR { 1224}
   (  segid "    " and resid 25   and name HD2%)
   (( segid "    " and resid 28   and name HN  ))
 ASSI { 1225}
   (  segid "    " and resid 25   and name HD2%)
   (( segid "    " and resid 25   and name HN  ))
      2.600     0.900     0.900 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.29767E-02 ppm1      0.852 ppm2      7.502 CV     1
 OR { 1225}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 25   and name HN  ))
 OR { 1225}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 26   and name HN  ))
 ASSI { 1226}
   (  segid "    " and resid 25   and name HD2%)
   (( segid "    " and resid 22   and name HN  ))
      4.500     2.600     1.800 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.10618E-03 ppm1      0.852 ppm2      7.319 CV     1
 OR { 1226}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 22   and name HN  ))
 ASSI { 1227}
   (  segid "    " and resid 25   and name HD2%)
   (( segid "    " and resid 22   and name HD2 ))
      2.700     0.900     0.900 peak  1227 spectrum    1 weight  0.10000E+01 volume  0.22321E-02 ppm1      0.852 ppm2      6.837 CV     1
 OR { 1227}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 22   and name HD2 ))
 ASSI { 1228}
   (( segid "    " and resid 25   and name HG  ))
   (  segid "    " and resid 25   and name HD2%)
      2.600     0.900     0.900 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.28679E-02 ppm1      1.647 ppm2      0.849 CV     1
 OR { 1228}
   (( segid "    " and resid 25   and name HG  ))
   (  segid "    " and resid 25   and name HD1%)


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1          1H        GLY   1  16.987  -9.353  -0.356
    2   2H    GLY   1          2H        GLY   1  15.403  -8.762  -0.215
    3   3H    GLY   1          3H        GLY   1  16.706  -7.680  -0.319
    4   1HA   GLY   1          2HA       GLY   1  17.190  -8.486  -2.567
    5   2HA   GLY   1          1HA       GLY   1  15.769  -9.518  -2.452
    6    H    SER   2           H        SER   2  13.856  -8.701  -3.053
    7    HA   SER   2           HA       SER   2  13.781  -5.951  -3.969
    8   1HB   SER   2          1HB       SER   2  11.281  -7.415  -4.197
    9   2HB   SER   2          2HB       SER   2  12.297  -6.733  -5.467
   10    HG   SER   2           HG       SER   2  12.656  -8.769  -5.901
   11    H    THR   3           H        THR   3  11.656  -4.748  -3.539
   12    HA   THR   3           HA       THR   3  11.342  -4.502  -0.680
   13    HB   THR   3           HB       THR   3   9.526  -3.004  -2.476
   14    HG1  THR   3           1HG      THR   3  11.040  -2.194  -3.712
   15   1HG2  THR   3          1HG2      THR   3   9.804  -1.309  -0.951
   16   2HG2  THR   3          2HG2      THR   3  11.464  -1.770  -0.575
   17   3HG2  THR   3          3HG2      THR   3  10.120  -2.706   0.077
   18    H    GLY   4           H        GLY   4   9.150  -4.430   0.306
   19   1HA   GLY   4          1HA       GLY   4   7.655  -6.786  -0.449
   20   2HA   GLY   4          2HA       GLY   4   7.378  -5.773   0.964
   21    H    ILE   5           H        ILE   5   7.375  -5.218  -2.528
   22    HA   ILE   5           HA       ILE   5   5.103  -3.462  -2.329
   23    HB   ILE   5           HB       ILE   5   6.358  -4.511  -4.864
   24   1HG1  ILE   5          2HG1      ILE   5   8.112  -3.576  -3.413
   25   2HG1  ILE   5          1HG1      ILE   5   7.835  -2.554  -4.823
   26   1HG2  ILE   5          1HG2      ILE   5   4.115  -3.138  -4.699
   27   2HG2  ILE   5          2HG2      ILE   5   5.231  -1.777  -4.564
   28   3HG2  ILE   5          3HG2      ILE   5   5.288  -2.831  -5.979
   29   1HD1  ILE   5          1HD1      ILE   5   7.441  -0.811  -3.524
   30   2HD1  ILE   5          2HD1      ILE   5   6.169  -1.679  -2.667
   31   3HD1  ILE   5          3HD1      ILE   5   7.845  -1.801  -2.123
   32    H    LYS   6           H        LYS   6   3.043  -3.798  -3.115
   33    HA   LYS   6           HA       LYS   6   2.334  -6.553  -3.898
   34   1HB   LYS   6          1HB       LYS   6   1.051  -4.727  -1.894
   35   2HB   LYS   6          2HB       LYS   6   0.099  -5.952  -2.724
   36   1HG   LYS   6          1HG       LYS   6   2.556  -6.478  -1.063
   37   2HG   LYS   6          2HG       LYS   6   0.888  -6.723  -0.545
   38   1HD   LYS   6          1HD       LYS   6   0.730  -8.679  -1.614
   39   2HD   LYS   6          2HD       LYS   6   1.495  -8.038  -3.073
   40   1HE   LYS   6          2HE       LYS   6   2.929  -9.737  -2.291
   41   2HE   LYS   6          1HE       LYS   6   3.694  -8.216  -1.835
   42   1HZ   LYS   6          1HZ       LYS   6   3.017 -10.340  -0.178
   43   2HZ   LYS   6          2HZ       LYS   6   1.980  -9.065   0.239
   44   3HZ   LYS   6          3HZ       LYS   6   3.661  -8.836   0.275
   45    HA   PRO   7           HA       PRO   7   0.388  -5.035  -7.472
   46   1HB   PRO   7          1HB       PRO   7  -2.094  -6.280  -7.348
   47   2HB   PRO   7          2HB       PRO   7  -0.614  -6.998  -7.987
   48   1HG   PRO   7          1HG       PRO   7  -1.887  -7.335  -5.317
   49   2HG   PRO   7          2HG       PRO   7  -1.012  -8.519  -6.301
   50   1HD   PRO   7          1HD       PRO   7   0.091  -7.356  -4.149
   51   2HD   PRO   7          2HD       PRO   7   1.050  -7.781  -5.578
   52    H    PHE   8           H        PHE   8  -1.255  -4.651  -4.461
   53    HA   PHE   8           HA       PHE   8  -2.619  -2.271  -5.516
   54   1HB   PHE   8          1HB       PHE   8  -3.601  -3.910  -3.177
   55   2HB   PHE   8          2HB       PHE   8  -4.454  -2.627  -4.030
   56    HD1  PHE   8           1HD      PHE   8  -5.517  -3.043  -6.149
   57    HD2  PHE   8           2HD      PHE   8  -3.442  -6.142  -4.100
   58    HE1  PHE   8           1HE      PHE   8  -6.610  -4.714  -7.583
   59    HE2  PHE   8           2HE      PHE   8  -4.541  -7.819  -5.528
   60    HZ   PHE   8           HZ       PHE   8  -6.113  -7.108  -7.283
   61    H    GLN   9           H        GLN   9  -1.415  -0.616  -4.824
   62    HA   GLN   9           HA       GLN   9  -0.337  -0.758  -2.092
   63   1HB   GLN   9          1HB       GLN   9   0.902  -0.243  -4.681
   64   2HB   GLN   9          2HB       GLN   9   1.275   1.001  -3.495
   65   1HG   GLN   9          1HG       GLN   9   1.544  -1.512  -2.229
   66   2HG   GLN   9          2HG       GLN   9   2.393  -1.584  -3.773
   67   1HE2  GLN   9          1HE2      GLN   9   1.920   1.229  -1.698
   68   2HE2  GLN   9          2HE2      GLN   9   3.606   1.498  -1.381
   69    H    CYS  10           H        CYS  10  -0.375   1.008  -0.803
   70    HA   CYS  10           HA       CYS  10  -2.132   3.200  -1.560
   71   1HB   CYS  10          1HB       CYS  10  -2.499   2.653   0.686
   72   2HB   CYS  10          2HB       CYS  10  -0.799   2.329   0.984
   73    HA   PRO  11           HA       PRO  11   1.484   5.551  -2.754
   74   1HB   PRO  11          1HB       PRO  11   0.230   7.635  -3.824
   75   2HB   PRO  11          2HB       PRO  11   0.178   6.049  -4.602
   76   1HG   PRO  11          1HG       PRO  11  -1.897   7.422  -2.954
   77   2HG   PRO  11          2HG       PRO  11  -2.096   6.422  -4.404
   78   1HD   PRO  11          1HD       PRO  11  -2.451   5.552  -1.778
   79   2HD   PRO  11          2HD       PRO  11  -2.191   4.502  -3.181
   80    H    ASP  12           H        ASP  12  -0.466   6.044  -0.158
   81    HA   ASP  12           HA       ASP  12   0.562   8.730   0.447
   82   1HB   ASP  12          1HB       ASP  12  -1.934   8.121   0.588
   83   2HB   ASP  12          2HB       ASP  12  -1.507   7.236   2.050
   84    H    CYS  13           H        CYS  13   0.048   5.613   2.108
   85    HA   CYS  13           HA       CYS  13   2.132   6.338   4.048
   86   1HB   CYS  13          1HB       CYS  13   0.522   3.816   4.220
   87   2HB   CYS  13          2HB       CYS  13   1.228   4.776   5.514
   88    H    ASP  14           H        ASP  14   1.668   4.590   1.239
   89    HA   ASP  14           HA       ASP  14   3.000   3.208   0.005
   90   1HB   ASP  14          1HB       ASP  14   4.907   4.457   1.413
   91   2HB   ASP  14          2HB       ASP  14   5.065   2.854   2.123
   92    H    TRP  15           H        TRP  15   0.925   2.420   1.727
   93    HA   TRP  15           HA       TRP  15   1.654  -0.028   3.042
   94   1HB   TRP  15          1HB       TRP  15  -0.750   1.585   2.693
   95   2HB   TRP  15          2HB       TRP  15  -1.073  -0.138   2.534
   96    HD1  TRP  15           HD       TRP  15  -0.278   2.527   5.054
   97    HE1  TRP  15           1HE      TRP  15  -0.344   1.510   7.432
   98    HE3  TRP  15           3HE      TRP  15  -0.568  -2.427   3.811
   99    HZ2  TRP  15           2HZ      TRP  15  -0.498  -1.054   8.602
  100    HZ3  TRP  15           3HZ      TRP  15  -0.667  -4.095   5.615
  101    HH2  TRP  15           HH       TRP  15  -0.639  -3.421   7.962
  102    H    SER  16           H        SER  16   1.082  -2.140   2.316
  103    HA   SER  16           HA       SER  16   0.536  -2.302  -0.564
  104   1HB   SER  16          1HB       SER  16   2.157  -4.513   0.168
  105   2HB   SER  16          2HB       SER  16   2.574  -3.173  -0.900
  106    HG   SER  16           HG       SER  16   3.709  -2.268   0.641
  107    H    PHE  17           H        PHE  17  -1.022  -3.656  -1.117
  108    HA   PHE  17           HA       PHE  17  -1.890  -5.681   0.834
  109   1HB   PHE  17          1HB       PHE  17  -3.698  -3.924  -0.839
  110   2HB   PHE  17          2HB       PHE  17  -4.221  -5.171   0.288
  111    HD1  PHE  17           1HD      PHE  17  -2.754  -1.828  -0.024
  112    HD2  PHE  17           2HD      PHE  17  -4.229  -4.790   2.651
  113    HE1  PHE  17           1HE      PHE  17  -2.784  -0.168   1.784
  114    HE2  PHE  17           2HE      PHE  17  -4.262  -3.131   4.471
  115    HZ   PHE  17           HZ       PHE  17  -3.539  -0.817   4.038
  116    H    SER  18           H        SER  18  -2.417  -7.628   0.014
  117    HA   SER  18           HA       SER  18  -1.761  -8.140  -2.754
  118   1HB   SER  18          1HB       SER  18  -2.877 -10.417  -1.379
  119   2HB   SER  18          2HB       SER  18  -1.222 -10.165  -1.928
  120    HG   SER  18           HG       SER  18  -1.926 -10.362   0.517
  121    H    ARG  19           H        ARG  19  -4.505  -7.335  -0.953
  122    HA   ARG  19           HA       ARG  19  -6.282  -8.295  -3.111
  123   1HB   ARG  19          1HB       ARG  19  -6.772  -8.122  -0.143
  124   2HB   ARG  19          2HB       ARG  19  -8.083  -8.248  -1.314
  125   1HG   ARG  19          1HG       ARG  19  -6.218 -10.240  -1.956
  126   2HG   ARG  19          2HG       ARG  19  -6.445 -10.299  -0.213
  127   1HD   ARG  19          1HD       ARG  19  -8.484 -10.622  -2.388
  128   2HD   ARG  19          2HD       ARG  19  -8.071 -11.741  -1.089
  129    HE   ARG  19           HE       ARG  19  -9.502  -9.185  -0.683
  130   1HH1  ARG  19          2HH1      ARG  19  -8.919 -12.547   0.114
  131   2HH1  ARG  19          1HH1      ARG  19 -10.132 -12.593   1.352
  132   1HH2  ARG  19          2HH2      ARG  19 -11.086  -9.227   0.927
  133   2HH2  ARG  19          1HH2      ARG  19 -11.375 -10.695   1.823
  134    H    SER  20           H        SER  20  -7.630  -7.061  -3.975
  135    HA   SER  20           HA       SER  20  -7.170  -4.323  -4.066
  136   1HB   SER  20          1HB       SER  20  -9.332  -4.462  -5.426
  137   2HB   SER  20          2HB       SER  20  -7.969  -5.409  -5.975
  138    HG   SER  20           HG       SER  20 -10.387  -6.229  -4.834
  139    H    ASP  21           H        ASP  21  -9.766  -6.186  -2.520
  140    HA   ASP  21           HA       ASP  21 -11.272  -3.962  -1.648
  141   1HB   ASP  21          1HB       ASP  21 -12.401  -5.588  -0.221
  142   2HB   ASP  21          2HB       ASP  21 -12.226  -6.209  -1.849
  143    H    HIS  22           H        HIS  22  -8.519  -5.701  -0.351
  144    HA   HIS  22           HA       HIS  22  -8.730  -4.657   2.299
  145   1HB   HIS  22          1HB       HIS  22  -6.640  -6.080   0.731
  146   2HB   HIS  22          2HB       HIS  22  -6.145  -5.239   2.194
  147    HD1  HIS  22           1HD      HIS  22  -5.694  -7.254   3.644
  148    HD2  HIS  22           2HD      HIS  22  -9.504  -7.272   1.952
  149    HE1  HIS  22           1HE      HIS  22  -6.927  -9.140   4.769
  150    HE2  HIS  22           2HE      HIS  22  -9.202  -9.198   3.672
  151    H    LEU  23           H        LEU  23  -7.012  -3.673  -0.618
  152    HA   LEU  23           HA       LEU  23  -5.652  -1.472   0.527
  153   1HB   LEU  23          1HB       LEU  23  -4.913  -2.333  -1.591
  154   2HB   LEU  23          2HB       LEU  23  -6.488  -2.049  -2.314
  155    HG   LEU  23           HG       LEU  23  -6.072   0.432  -1.814
  156   1HD1  LEU  23          1HD1      LEU  23  -4.214   1.021  -0.777
  157   2HD1  LEU  23          2HD1      LEU  23  -3.740  -0.675  -0.666
  158   3HD1  LEU  23          3HD1      LEU  23  -3.250   0.288  -2.062
  159   1HD2  LEU  23          1HD2      LEU  23  -5.460   0.684  -3.961
  160   2HD2  LEU  23          2HD2      LEU  23  -4.059  -0.373  -3.792
  161   3HD2  LEU  23          3HD2      LEU  23  -5.663  -1.068  -4.023
  162    H    ALA  24           H        ALA  24  -8.751  -1.806  -1.143
  163    HA   ALA  24           HA       ALA  24  -9.448   0.917  -1.139
  164   1HB   ALA  24          1HB       ALA  24 -11.148   0.112  -2.327
  165   2HB   ALA  24          2HB       ALA  24 -10.635  -1.527  -1.927
  166   3HB   ALA  24          3HB       ALA  24 -11.792  -0.689  -0.894
  167    H    LEU  25           H        LEU  25  -9.855  -1.642   1.236
  168    HA   LEU  25           HA       LEU  25 -11.529  -0.239   3.043
  169   1HB   LEU  25          1HB       LEU  25 -10.229  -2.755   2.912
  170   2HB   LEU  25          2HB       LEU  25  -9.748  -2.010   4.423
  171    HG   LEU  25           HG       LEU  25 -12.597  -1.751   4.035
  172   1HD1  LEU  25          1HD1      LEU  25 -11.473  -4.548   3.991
  173   2HD1  LEU  25          2HD1      LEU  25 -13.166  -4.122   4.237
  174   3HD1  LEU  25          3HD1      LEU  25 -12.383  -3.770   2.697
  175   1HD2  LEU  25          1HD2      LEU  25 -12.601  -2.123   6.254
  176   2HD2  LEU  25          2HD2      LEU  25 -11.512  -3.504   6.133
  177   3HD2  LEU  25          3HD2      LEU  25 -10.863  -1.863   6.107
  178    H    HIS  26           H        HIS  26  -8.196   0.009   2.271
  179    HA   HIS  26           HA       HIS  26  -7.586   1.435   4.747
  180   1HB   HIS  26          1HB       HIS  26  -5.909  -0.155   4.136
  181   2HB   HIS  26          2HB       HIS  26  -5.881   0.413   2.470
  182    HD1  HIS  26           1HD      HIS  26  -4.824   1.537   5.946
  183    HD2  HIS  26           2HD      HIS  26  -4.120   2.388   1.933
  184    HE1  HIS  26           1HE      HIS  26  -2.971   3.262   5.886
  185    H    ARG  27           H        ARG  27  -7.560   1.935   1.227
  186    HA   ARG  27           HA       ARG  27  -6.644   4.620   1.479
  187   1HB   ARG  27          1HB       ARG  27  -7.783   3.164  -0.906
  188   2HB   ARG  27          2HB       ARG  27  -7.016   4.742  -0.969
  189   1HG   ARG  27          1HG       ARG  27  -5.150   3.230   0.325
  190   2HG   ARG  27          2HG       ARG  27  -5.834   2.094  -0.828
  191   1HD   ARG  27          1HD       ARG  27  -3.859   3.950  -1.347
  192   2HD   ARG  27          2HD       ARG  27  -4.818   3.078  -2.543
  193    HE   ARG  27           HE       ARG  27  -5.383   5.804  -1.579
  194   1HH1  ARG  27          2HH1      ARG  27  -5.580   3.303  -4.013
  195   2HH1  ARG  27          1HH1      ARG  27  -6.417   4.299  -5.168
  196   1HH2  ARG  27          2HH2      ARG  27  -6.444   7.156  -3.122
  197   2HH2  ARG  27          1HH2      ARG  27  -6.857   6.503  -4.684
  198    H    LYS  28           H        LYS  28  -9.709   3.293   1.884
  199    HA   LYS  28           HA       LYS  28 -11.320   5.330   0.793
  200   1HB   LYS  28          1HB       LYS  28 -13.076   4.529   2.311
  201   2HB   LYS  28          2HB       LYS  28 -12.284   3.206   1.468
  202   1HG   LYS  28          1HG       LYS  28 -10.951   2.747   3.481
  203   2HG   LYS  28          2HG       LYS  28 -11.805   4.043   4.320
  204   1HD   LYS  28          1HD       LYS  28 -13.492   2.005   3.008
  205   2HD   LYS  28          2HD       LYS  28 -12.565   1.468   4.410
  206   1HE   LYS  28          2HE       LYS  28 -13.714   3.989   5.024
  207   2HE   LYS  28          1HE       LYS  28 -14.980   2.964   4.345
  208   1HZ   LYS  28          1HZ       LYS  28 -14.177   1.217   5.959
  209   2HZ   LYS  28          2HZ       LYS  28 -14.980   2.547   6.637
  210   3HZ   LYS  28          3HZ       LYS  28 -13.289   2.450   6.719
  211    H    ARG  29           H        ARG  29  -9.496   5.117   3.763
  212    HA   ARG  29           HA       ARG  29 -10.664   7.417   4.987
  213   1HB   ARG  29          1HB       ARG  29  -8.990   7.184   6.659
  214   2HB   ARG  29          2HB       ARG  29  -9.492   5.561   6.220
  215   1HG   ARG  29          1HG       ARG  29  -7.486   5.042   5.283
  216   2HG   ARG  29          2HG       ARG  29  -7.150   6.708   4.812
  217   1HD   ARG  29          1HD       ARG  29  -5.632   6.000   6.567
  218   2HD   ARG  29          2HD       ARG  29  -6.702   7.273   7.152
  219    HE   ARG  29           HE       ARG  29  -8.001   5.500   8.265
  220   1HH1  ARG  29          2HH1      ARG  29  -4.661   4.854   7.377
  221   2HH1  ARG  29          1HH1      ARG  29  -4.471   3.575   8.546
  222   1HH2  ARG  29          2HH2      ARG  29  -7.736   3.848   9.804
  223   2HH2  ARG  29          1HH2      ARG  29  -6.208   3.030   9.941
  224    H    HIS  30           H        HIS  30  -8.588   6.958   2.411
  225    HA   HIS  30           HA       HIS  30  -7.262   9.553   2.715
  226   1HB   HIS  30          1HB       HIS  30  -6.873   7.397   0.633
  227   2HB   HIS  30          2HB       HIS  30  -5.948   8.888   0.730
  228    HD1  HIS  30           1HD      HIS  30  -5.351   8.799   3.820
  229    HD2  HIS  30           2HD      HIS  30  -4.891   5.625   1.164
  230    HE1  HIS  30           1HE      HIS  30  -3.642   7.250   4.847
  231    H    MET  31           H        MET  31  -9.632   7.834   0.939
  232    HA   MET  31           HA       MET  31  -9.905   9.838  -1.120
  233   1HB   MET  31          1HB       MET  31 -11.443   7.299  -0.561
  234   2HB   MET  31          2HB       MET  31 -11.728   8.343  -1.946
  235   1HG   MET  31          1HG       MET  31  -9.800   7.722  -2.991
  236   2HG   MET  31          2HG       MET  31  -8.973   7.340  -1.484
  237   1HE   MET  31          1HE       MET  31 -11.185   5.269  -4.449
  238   2HE   MET  31          2HE       MET  31  -9.742   6.282  -4.442
  239   3HE   MET  31          3HE       MET  31  -9.590   4.532  -4.312
  240    H    LEU  32           H        LEU  32 -11.933   8.535   1.494
  241    HA   LEU  32           HA       LEU  32 -13.774   9.327   2.556
  242   1HB   LEU  32          1HB       LEU  32 -12.881  12.071   1.680
  243   2HB   LEU  32          2HB       LEU  32 -13.900  11.672   3.049
  244    HG   LEU  32           HG       LEU  32 -11.102  10.617   2.947
  245   1HD1  LEU  32          1HD1      LEU  32 -10.670  12.767   4.406
  246   2HD1  LEU  32          2HD1      LEU  32 -10.473  12.789   2.654
  247   3HD1  LEU  32          3HD1      LEU  32 -11.944  13.434   3.382
  248   1HD2  LEU  32          1HD2      LEU  32 -12.919  11.466   5.202
  249   2HD2  LEU  32          2HD2      LEU  32 -12.634   9.808   4.676
  250   3HD2  LEU  32          3HD2      LEU  32 -11.317  10.750   5.374
  251    H    VAL  33           H        VAL  33 -14.187   8.399   0.022
  252    HA   VAL  33           HA       VAL  33 -16.179  10.250  -1.113
  253    HB   VAL  33           HB       VAL  33 -14.744   7.979  -2.508
  254   1HG1  VAL  33          1HG1      VAL  33 -15.883   9.840  -4.315
  255   2HG1  VAL  33          2HG1      VAL  33 -16.288   8.137  -4.092
  256   3HG1  VAL  33          3HG1      VAL  33 -17.131   9.374  -3.161
  257   1HG2  VAL  33          1HG2      VAL  33 -14.311  10.720  -3.449
  258   2HG2  VAL  33          2HG2      VAL  33 -13.653  10.385  -1.846
  259   3HG2  VAL  33          3HG2      VAL  33 -13.161   9.400  -3.226
  Start of MODEL    2
    1   1H    GLY   1          1H        GLY   1  11.126 -15.836   0.132
    2   2H    GLY   1          2H        GLY   1  11.582 -16.591   1.580
    3   3H    GLY   1          3H        GLY   1  12.758 -15.888   0.580
    4   1HA   GLY   1          2HA       GLY   1  11.919 -14.649   2.692
    5   2HA   GLY   1          1HA       GLY   1  12.268 -13.772   1.207
    6    H    SER   2           H        SER   2  10.722 -12.306   2.492
    7    HA   SER   2           HA       SER   2   7.932 -13.015   1.910
    8   1HB   SER   2          1HB       SER   2   8.001 -10.602   3.353
    9   2HB   SER   2          2HB       SER   2   7.580 -12.198   3.977
   10    HG   SER   2           HG       SER   2   9.954 -10.746   4.209
   11    H    THR   3           H        THR   3   6.553 -11.368   0.960
   12    HA   THR   3           HA       THR   3   8.030  -9.741  -0.979
   13    HB   THR   3           HB       THR   3   5.089  -9.740  -1.134
   14    HG1  THR   3           1HG      THR   3   5.445 -11.912  -0.455
   15   1HG2  THR   3          1HG2      THR   3   6.674 -10.755  -3.372
   16   2HG2  THR   3          2HG2      THR   3   7.174  -9.160  -2.809
   17   3HG2  THR   3          3HG2      THR   3   5.507  -9.433  -3.317
   18    H    GLY   4           H        GLY   4   8.073  -7.569  -0.886
   19   1HA   GLY   4          1HA       GLY   4   6.766  -6.317   1.415
   20   2HA   GLY   4          2HA       GLY   4   8.069  -5.626   0.459
   21    H    ILE   5           H        ILE   5   7.133  -5.811  -2.066
   22    HA   ILE   5           HA       ILE   5   4.986  -3.837  -2.035
   23    HB   ILE   5           HB       ILE   5   6.557  -4.852  -4.409
   24   1HG1  ILE   5          2HG1      ILE   5   8.065  -3.824  -2.773
   25   2HG1  ILE   5          1HG1      ILE   5   7.892  -2.795  -4.195
   26   1HG2  ILE   5          1HG2      ILE   5   4.319  -3.048  -4.111
   27   2HG2  ILE   5          2HG2      ILE   5   5.705  -2.241  -4.850
   28   3HG2  ILE   5          3HG2      ILE   5   5.048  -3.710  -5.577
   29   1HD1  ILE   5          1HD1      ILE   5   6.261  -1.421  -2.943
   30   2HD1  ILE   5          2HD1      ILE   5   6.578  -2.408  -1.516
   31   3HD1  ILE   5          3HD1      ILE   5   7.870  -1.437  -2.223
   32    H    LYS   6           H        LYS   6   2.995  -4.165  -2.833
   33    HA   LYS   6           HA       LYS   6   2.344  -6.833  -3.904
   34   1HB   LYS   6          1HB       LYS   6   0.999  -5.212  -1.776
   35   2HB   LYS   6          2HB       LYS   6   0.046  -6.301  -2.776
   36   1HG   LYS   6          1HG       LYS   6   0.997  -8.180  -1.891
   37   2HG   LYS   6          2HG       LYS   6   2.511  -7.363  -1.497
   38   1HD   LYS   6          1HD       LYS   6   0.656  -6.057   0.075
   39   2HD   LYS   6          2HD       LYS   6   0.115  -7.743   0.117
   40   1HE   LYS   6          2HE       LYS   6   2.239  -8.479   0.922
   41   2HE   LYS   6          1HE       LYS   6   2.956  -6.890   0.651
   42   1HZ   LYS   6          1HZ       LYS   6   1.902  -7.782   2.993
   43   2HZ   LYS   6          2HZ       LYS   6   0.670  -6.792   2.382
   44   3HZ   LYS   6          3HZ       LYS   6   2.227  -6.164   2.609
   45    HA   PRO   7           HA       PRO   7   0.615  -5.065  -7.435
   46   1HB   PRO   7          1HB       PRO   7  -1.921  -6.224  -7.513
   47   2HB   PRO   7          2HB       PRO   7  -0.434  -6.945  -8.131
   48   1HG   PRO   7          1HG       PRO   7  -1.830  -7.413  -5.539
   49   2HG   PRO   7          2HG       PRO   7  -0.952  -8.557  -6.569
   50   1HD   PRO   7          1HD       PRO   7   0.117  -7.600  -4.314
   51   2HD   PRO   7          2HD       PRO   7   1.110  -7.903  -5.752
   52    H    PHE   8           H        PHE   8  -1.066  -4.658  -4.480
   53    HA   PHE   8           HA       PHE   8  -2.414  -2.285  -5.573
   54   1HB   PHE   8          1HB       PHE   8  -3.410  -3.920  -3.238
   55   2HB   PHE   8          2HB       PHE   8  -4.246  -2.604  -4.061
   56    HD1  PHE   8           1HD      PHE   8  -5.185  -2.940  -6.297
   57    HD2  PHE   8           2HD      PHE   8  -3.405  -6.137  -4.122
   58    HE1  PHE   8           1HE      PHE   8  -6.283  -4.554  -7.788
   59    HE2  PHE   8           2HE      PHE   8  -4.515  -7.762  -5.608
   60    HZ   PHE   8           HZ       PHE   8  -5.939  -6.969  -7.454
   61    H    GLN   9           H        GLN   9  -1.029  -0.737  -4.992
   62    HA   GLN   9           HA       GLN   9   0.039  -0.761  -2.258
   63   1HB   GLN   9          1HB       GLN   9   1.168  -0.233  -4.866
   64   2HB   GLN   9          2HB       GLN   9   1.431   1.128  -3.787
   65   1HG   GLN   9          1HG       GLN   9   2.008  -1.223  -2.339
   66   2HG   GLN   9          2HG       GLN   9   2.813  -1.342  -3.904
   67   1HE2  GLN   9          1HE2      GLN   9   2.161   1.186  -1.502
   68   2HE2  GLN   9          2HE2      GLN   9   3.772   1.830  -1.492
   69    H    CYS  10           H        CYS  10  -0.231   0.932  -0.900
   70    HA   CYS  10           HA       CYS  10  -2.149   2.979  -1.592
   71   1HB   CYS  10          1HB       CYS  10  -2.417   2.465   0.649
   72   2HB   CYS  10          2HB       CYS  10  -0.707   2.146   0.889
   73    HA   PRO  11           HA       PRO  11   1.121   5.728  -2.855
   74   1HB   PRO  11          1HB       PRO  11  -0.405   7.689  -3.800
   75   2HB   PRO  11          2HB       PRO  11  -0.338   6.119  -4.608
   76   1HG   PRO  11          1HG       PRO  11  -2.448   7.251  -2.834
   77   2HG   PRO  11          2HG       PRO  11  -2.619   6.229  -4.271
   78   1HD   PRO  11          1HD       PRO  11  -2.711   5.352  -1.620
   79   2HD   PRO  11          2HD       PRO  11  -2.474   4.324  -3.048
   80    H    ASP  12           H        ASP  12  -0.664   5.962  -0.116
   81    HA   ASP  12           HA       ASP  12   0.177   8.730   0.472
   82   1HB   ASP  12          1HB       ASP  12  -2.272   7.757   0.748
   83   2HB   ASP  12          2HB       ASP  12  -1.628   7.201   2.290
   84    H    CYS  13           H        CYS  13  -0.029   5.558   2.084
   85    HA   CYS  13           HA       CYS  13   2.093   6.413   3.933
   86   1HB   CYS  13          1HB       CYS  13   0.628   3.831   4.263
   87   2HB   CYS  13          2HB       CYS  13   1.260   4.922   5.490
   88    H    ASP  14           H        ASP  14   1.677   4.738   1.123
   89    HA   ASP  14           HA       ASP  14   2.971   3.344  -0.127
   90   1HB   ASP  14          1HB       ASP  14   4.866   4.625   1.319
   91   2HB   ASP  14          2HB       ASP  14   5.110   2.974   1.880
   92    H    TRP  15           H        TRP  15   0.974   2.474   1.685
   93    HA   TRP  15           HA       TRP  15   1.833   0.029   2.938
   94   1HB   TRP  15          1HB       TRP  15  -0.673   1.538   2.654
   95   2HB   TRP  15          2HB       TRP  15  -0.889  -0.208   2.604
   96    HD1  TRP  15           HD       TRP  15  -0.162   2.638   4.952
   97    HE1  TRP  15           1HE      TRP  15  -0.038   1.748   7.370
   98    HE3  TRP  15           3HE      TRP  15  -0.188  -2.373   3.964
   99    HZ2  TRP  15           2HZ      TRP  15   0.036  -0.759   8.676
  100    HZ3  TRP  15           3HZ      TRP  15  -0.098  -3.950   5.848
  101    HH2  TRP  15           HH       TRP  15   0.011  -3.160   8.155
  102    H    SER  16           H        SER  16   1.012  -2.107   2.235
  103    HA   SER  16           HA       SER  16   0.467  -2.248  -0.639
  104   1HB   SER  16          1HB       SER  16   2.136  -4.442  -0.048
  105   2HB   SER  16          2HB       SER  16   2.523  -3.040  -1.045
  106    HG   SER  16           HG       SER  16   3.773  -2.312   0.487
  107    H    PHE  17           H        PHE  17  -1.090  -3.606  -1.140
  108    HA   PHE  17           HA       PHE  17  -1.863  -5.686   0.801
  109   1HB   PHE  17          1HB       PHE  17  -3.745  -3.898  -0.762
  110   2HB   PHE  17          2HB       PHE  17  -4.221  -5.189   0.337
  111    HD1  PHE  17           1HD      PHE  17  -2.793  -1.823   0.089
  112    HD2  PHE  17           2HD      PHE  17  -4.139  -4.898   2.705
  113    HE1  PHE  17           1HE      PHE  17  -2.735  -0.240   1.963
  114    HE2  PHE  17           2HE      PHE  17  -4.086  -3.317   4.594
  115    HZ   PHE  17           HZ       PHE  17  -3.381  -0.984   4.219
  116    H    SER  18           H        SER  18  -2.505  -7.616  -0.054
  117    HA   SER  18           HA       SER  18  -1.894  -8.055  -2.854
  118   1HB   SER  18          1HB       SER  18  -2.906 -10.412  -1.632
  119   2HB   SER  18          2HB       SER  18  -1.229 -10.035  -2.031
  120    HG   SER  18           HG       SER  18  -1.285 -10.396   0.150
  121    H    ARG  19           H        ARG  19  -4.558  -7.281  -0.971
  122    HA   ARG  19           HA       ARG  19  -6.403  -8.156  -3.106
  123   1HB   ARG  19          1HB       ARG  19  -6.765  -8.046  -0.126
  124   2HB   ARG  19          2HB       ARG  19  -8.154  -7.841  -1.184
  125   1HG   ARG  19          1HG       ARG  19  -6.852 -10.084  -2.162
  126   2HG   ARG  19          2HG       ARG  19  -6.764 -10.236  -0.412
  127   1HD   ARG  19          1HD       ARG  19  -9.158 -10.134  -2.192
  128   2HD   ARG  19          2HD       ARG  19  -8.773 -11.271  -0.905
  129    HE   ARG  19           HE       ARG  19  -9.895  -8.588  -0.575
  130   1HH1  ARG  19          2HH1      ARG  19  -8.830 -11.601   0.858
  131   2HH1  ARG  19          1HH1      ARG  19  -9.724 -11.355   2.333
  132   1HH2  ARG  19          2HH2      ARG  19 -11.066  -8.258   1.379
  133   2HH2  ARG  19          1HH2      ARG  19 -10.989  -9.479   2.621
  134    H    SER  20           H        SER  20  -7.456  -6.786  -4.094
  135    HA   SER  20           HA       SER  20  -6.944  -4.055  -4.024
  136   1HB   SER  20          1HB       SER  20  -8.970  -4.098  -5.566
  137   2HB   SER  20          2HB       SER  20  -7.615  -5.097  -6.029
  138    HG   SER  20           HG       SER  20 -10.115  -5.843  -5.630
  139    H    ASP  21           H        ASP  21  -9.483  -6.040  -2.660
  140    HA   ASP  21           HA       ASP  21 -11.193  -3.960  -1.785
  141   1HB   ASP  21          1HB       ASP  21 -12.310  -5.968  -1.810
  142   2HB   ASP  21          2HB       ASP  21 -10.900  -6.881  -1.301
  143    H    HIS  22           H        HIS  22  -8.422  -5.578  -0.355
  144    HA   HIS  22           HA       HIS  22  -8.745  -4.449   2.247
  145   1HB   HIS  22          1HB       HIS  22  -6.701  -6.052   0.858
  146   2HB   HIS  22          2HB       HIS  22  -6.091  -4.999   2.130
  147    HD1  HIS  22           1HD      HIS  22  -5.625  -6.709   3.930
  148    HD2  HIS  22           2HD      HIS  22  -9.458  -7.020   2.344
  149    HE1  HIS  22           1HE      HIS  22  -6.861  -8.292   5.444
  150    HE2  HIS  22           2HE      HIS  22  -9.231  -8.296   4.584
  151    H    LEU  23           H        LEU  23  -6.923  -3.564  -0.646
  152    HA   LEU  23           HA       LEU  23  -5.606  -1.329   0.478
  153   1HB   LEU  23          1HB       LEU  23  -4.875  -2.268  -1.638
  154   2HB   LEU  23          2HB       LEU  23  -6.425  -1.894  -2.372
  155    HG   LEU  23           HG       LEU  23  -5.914   0.550  -1.901
  156   1HD1  LEU  23          1HD1      LEU  23  -3.317   0.851  -1.862
  157   2HD1  LEU  23          2HD1      LEU  23  -4.232   0.648  -0.368
  158   3HD1  LEU  23          3HD1      LEU  23  -3.366  -0.721  -1.064
  159   1HD2  LEU  23          1HD2      LEU  23  -5.731  -0.513  -4.131
  160   2HD2  LEU  23          2HD2      LEU  23  -4.587   0.807  -3.887
  161   3HD2  LEU  23          3HD2      LEU  23  -4.037  -0.867  -3.787
  162    H    ALA  24           H        ALA  24  -8.656  -1.724  -1.263
  163    HA   ALA  24           HA       ALA  24  -9.448   0.963  -1.282
  164   1HB   ALA  24          1HB       ALA  24 -11.068   0.042  -2.491
  165   2HB   ALA  24          2HB       ALA  24 -10.616  -1.568  -1.929
  166   3HB   ALA  24          3HB       ALA  24 -11.773  -0.605  -1.010
  167    H    LEU  25           H        LEU  25  -9.881  -1.581   1.136
  168    HA   LEU  25           HA       LEU  25 -11.550  -0.083   2.868
  169   1HB   LEU  25          1HB       LEU  25 -10.165  -2.629   2.900
  170   2HB   LEU  25          2HB       LEU  25 -10.115  -1.846   4.467
  171    HG   LEU  25           HG       LEU  25 -12.528  -1.748   4.558
  172   1HD1  LEU  25          1HD1      LEU  25 -13.961  -2.524   2.840
  173   2HD1  LEU  25          2HD1      LEU  25 -12.811  -1.423   2.081
  174   3HD1  LEU  25          3HD1      LEU  25 -12.609  -3.165   1.906
  175   1HD2  LEU  25          1HD2      LEU  25 -12.944  -4.003   4.945
  176   2HD2  LEU  25          2HD2      LEU  25 -11.897  -4.525   3.627
  177   3HD2  LEU  25          3HD2      LEU  25 -11.195  -3.877   5.111
  178    H    HIS  26           H        HIS  26  -8.095  -0.232   2.424
  179    HA   HIS  26           HA       HIS  26  -7.534   1.241   4.854
  180   1HB   HIS  26          1HB       HIS  26  -5.845  -0.316   4.259
  181   2HB   HIS  26          2HB       HIS  26  -5.845   0.204   2.577
  182    HD1  HIS  26           1HD      HIS  26  -4.720   1.427   5.997
  183    HD2  HIS  26           2HD      HIS  26  -4.045   2.126   1.956
  184    HE1  HIS  26           1HE      HIS  26  -2.841   3.110   5.860
  185    H    ARG  27           H        ARG  27  -8.066   1.858   1.477
  186    HA   ARG  27           HA       ARG  27  -7.050   4.572   1.703
  187   1HB   ARG  27          1HB       ARG  27  -8.119   3.032  -0.662
  188   2HB   ARG  27          2HB       ARG  27  -7.539   4.689  -0.743
  189   1HG   ARG  27          1HG       ARG  27  -5.483   3.293   0.498
  190   2HG   ARG  27          2HG       ARG  27  -6.062   2.208  -0.761
  191   1HD   ARG  27          1HD       ARG  27  -4.197   3.995  -1.261
  192   2HD   ARG  27          2HD       ARG  27  -5.445   3.614  -2.458
  193    HE   ARG  27           HE       ARG  27  -5.870   5.866  -0.637
  194   1HH1  ARG  27          2HH1      ARG  27  -5.204   4.704  -3.874
  195   2HH1  ARG  27          1HH1      ARG  27  -5.567   6.236  -4.621
  196   1HH2  ARG  27          2HH2      ARG  27  -6.267   7.891  -1.616
  197   2HH2  ARG  27          1HH2      ARG  27  -6.148   8.042  -3.340
  198    H    LYS  28           H        LYS  28  -9.725   3.395   2.816
  199    HA   LYS  28           HA       LYS  28 -11.756   5.042   1.665
  200   1HB   LYS  28          1HB       LYS  28 -11.616   3.853   4.446
  201   2HB   LYS  28          2HB       LYS  28 -13.044   4.549   3.693
  202   1HG   LYS  28          1HG       LYS  28 -12.328   2.680   1.861
  203   2HG   LYS  28          2HG       LYS  28 -11.837   1.909   3.370
  204   1HD   LYS  28          1HD       LYS  28 -13.964   1.622   4.060
  205   2HD   LYS  28          2HD       LYS  28 -14.483   3.185   3.428
  206   1HE   LYS  28          2HE       LYS  28 -14.402   2.196   1.135
  207   2HE   LYS  28          1HE       LYS  28 -14.093   0.630   1.880
  208   1HZ   LYS  28          1HZ       LYS  28 -16.321   1.678   3.154
  209   2HZ   LYS  28          2HZ       LYS  28 -16.268   0.382   2.058
  210   3HZ   LYS  28          3HZ       LYS  28 -16.561   1.954   1.497
  211    H    ARG  29           H        ARG  29  -9.489   5.299   4.332
  212    HA   ARG  29           HA       ARG  29 -10.313   7.920   5.123
  213   1HB   ARG  29          1HB       ARG  29  -8.573   7.802   6.707
  214   2HB   ARG  29          2HB       ARG  29  -9.167   6.158   6.567
  215   1HG   ARG  29          1HG       ARG  29  -7.203   5.395   5.848
  216   2HG   ARG  29          2HG       ARG  29  -6.996   6.734   4.716
  217   1HD   ARG  29          1HD       ARG  29  -6.461   6.828   7.680
  218   2HD   ARG  29          2HD       ARG  29  -5.238   6.691   6.418
  219    HE   ARG  29           HE       ARG  29  -7.024   9.032   6.590
  220   1HH1  ARG  29          2HH1      ARG  29  -3.789   7.654   6.491
  221   2HH1  ARG  29          1HH1      ARG  29  -3.020   9.196   6.212
  222   1HH2  ARG  29          2HH2      ARG  29  -6.016  11.026   6.263
  223   2HH2  ARG  29          1HH2      ARG  29  -4.286  11.113   6.092
  224    H    HIS  30           H        HIS  30  -8.852   6.875   2.413
  225    HA   HIS  30           HA       HIS  30  -7.128   9.250   2.132
  226   1HB   HIS  30          1HB       HIS  30  -7.120   6.640   0.603
  227   2HB   HIS  30          2HB       HIS  30  -6.121   8.028   0.199
  228    HD1  HIS  30           1HD      HIS  30  -5.282   8.654   3.230
  229    HD2  HIS  30           2HD      HIS  30  -5.020   5.011   1.241
  230    HE1  HIS  30           1HE      HIS  30  -3.531   7.291   4.450
  231    H    MET  31           H        MET  31 -10.004   9.265   1.937
  232    HA   MET  31           HA       MET  31 -10.446   9.510  -0.955
  233   1HB   MET  31          1HB       MET  31 -12.664   9.041  -0.622
  234   2HB   MET  31          2HB       MET  31 -11.914   8.096   0.650
  235   1HG   MET  31          1HG       MET  31 -12.534   9.700   2.299
  236   2HG   MET  31          2HG       MET  31 -13.092  10.828   1.066
  237   1HE   MET  31          1HE       MET  31 -13.389   7.056   1.448
  238   2HE   MET  31          2HE       MET  31 -15.123   6.734   1.401
  239   3HE   MET  31          3HE       MET  31 -14.281   7.251  -0.060
  240    H    LEU  32           H        LEU  32  -9.656  11.460   1.534
  241    HA   LEU  32           HA       LEU  32 -11.044  13.770   0.346
  242   1HB   LEU  32          1HB       LEU  32 -11.091  13.120   2.940
  243   2HB   LEU  32          2HB       LEU  32  -9.600  14.041   2.929
  244    HG   LEU  32           HG       LEU  32 -11.434  15.637   1.541
  245   1HD1  LEU  32          1HD1      LEU  32 -12.775  13.942   3.490
  246   2HD1  LEU  32          2HD1      LEU  32 -12.995  15.662   3.800
  247   3HD1  LEU  32          3HD1      LEU  32 -13.452  14.981   2.239
  248   1HD2  LEU  32          1HD2      LEU  32  -9.781  16.610   2.889
  249   2HD2  LEU  32          2HD2      LEU  32 -11.306  16.984   3.697
  250   3HD2  LEU  32          3HD2      LEU  32 -10.279  15.688   4.310
  251    H    VAL  33           H        VAL  33  -9.047  12.821  -1.128
  252    HA   VAL  33           HA       VAL  33  -6.759  14.590  -0.563
  253    HB   VAL  33           HB       VAL  33  -5.486  13.010  -2.116
  254   1HG1  VAL  33          1HG1      VAL  33  -4.620  12.620  -0.099
  255   2HG1  VAL  33          2HG1      VAL  33  -6.196  12.712   0.686
  256   3HG1  VAL  33          3HG1      VAL  33  -5.666  11.201  -0.050
  257   1HG2  VAL  33          1HG2      VAL  33  -7.791  11.187  -1.434
  258   2HG2  VAL  33          2HG2      VAL  33  -7.437  11.846  -3.031
  259   3HG2  VAL  33          3HG2      VAL  33  -6.309  10.723  -2.274
  Start of MODEL    3
    1   1H    GLY   1          1H        GLY   1   6.950 -16.097   0.797
    2   2H    GLY   1          2H        GLY   1   8.039 -16.054  -0.501
    3   3H    GLY   1          3H        GLY   1   6.679 -17.061  -0.568
    4   1HA   GLY   1          2HA       GLY   1   6.572 -14.914  -1.882
    5   2HA   GLY   1          1HA       GLY   1   5.202 -15.324  -0.860
    6    H    SER   2           H        SER   2   8.336 -14.105   0.231
    7    HA   SER   2           HA       SER   2   7.004 -11.958   1.643
    8   1HB   SER   2          1HB       SER   2   9.731 -11.572   1.944
    9   2HB   SER   2          2HB       SER   2   8.696 -12.490   3.040
   10    HG   SER   2           HG       SER   2  10.641 -13.363   1.335
   11    H    THR   3           H        THR   3   6.249 -10.586   0.033
   12    HA   THR   3           HA       THR   3   8.318  -9.331  -1.654
   13    HB   THR   3           HB       THR   3   5.551  -8.758  -2.389
   14    HG1  THR   3           1HG      THR   3   6.345 -11.381  -1.917
   15   1HG2  THR   3          1HG2      THR   3   8.127  -9.301  -3.644
   16   2HG2  THR   3          2HG2      THR   3   6.781  -8.313  -4.212
   17   3HG2  THR   3          3HG2      THR   3   6.776 -10.055  -4.489
   18    H    GLY   4           H        GLY   4   8.548  -7.116  -1.608
   19   1HA   GLY   4          1HA       GLY   4   7.427  -5.775   0.690
   20   2HA   GLY   4          2HA       GLY   4   8.559  -5.092  -0.472
   21    H    ILE   5           H        ILE   5   7.336  -5.259  -2.817
   22    HA   ILE   5           HA       ILE   5   5.108  -3.403  -2.528
   23    HB   ILE   5           HB       ILE   5   6.308  -4.392  -5.114
   24   1HG1  ILE   5          2HG1      ILE   5   8.132  -3.481  -3.788
   25   2HG1  ILE   5          1HG1      ILE   5   7.725  -2.354  -5.081
   26   1HG2  ILE   5          1HG2      ILE   5   4.974  -1.758  -4.545
   27   2HG2  ILE   5          2HG2      ILE   5   5.340  -2.484  -6.110
   28   3HG2  ILE   5          3HG2      ILE   5   4.090  -3.186  -5.081
   29   1HD1  ILE   5          1HD1      ILE   5   7.992  -1.782  -2.387
   30   2HD1  ILE   5          2HD1      ILE   5   7.310  -0.736  -3.629
   31   3HD1  ILE   5          3HD1      ILE   5   6.252  -1.767  -2.671
   32    H    LYS   6           H        LYS   6   3.059  -3.975  -2.727
   33    HA   LYS   6           HA       LYS   6   2.398  -6.663  -3.760
   34   1HB   LYS   6          1HB       LYS   6   1.211  -4.907  -1.686
   35   2HB   LYS   6          2HB       LYS   6   0.095  -5.836  -2.682
   36   1HG   LYS   6          1HG       LYS   6   0.433  -7.580  -1.370
   37   2HG   LYS   6          2HG       LYS   6   2.111  -7.627  -1.912
   38   1HD   LYS   6          1HD       LYS   6   1.698  -5.582   0.095
   39   2HD   LYS   6          2HD       LYS   6   1.201  -7.173   0.681
   40   1HE   LYS   6          2HE       LYS   6   3.318  -8.041   0.536
   41   2HE   LYS   6          1HE       LYS   6   3.794  -6.944  -0.757
   42   1HZ   LYS   6          1HZ       LYS   6   3.236  -5.701   1.813
   43   2HZ   LYS   6          2HZ       LYS   6   4.467  -5.378   0.695
   44   3HZ   LYS   6          3HZ       LYS   6   4.610  -6.688   1.758
   45    HA   PRO   7           HA       PRO   7   0.576  -5.218  -7.414
   46   1HB   PRO   7          1HB       PRO   7  -1.989  -6.325  -7.264
   47   2HB   PRO   7          2HB       PRO   7  -0.550  -7.122  -7.900
   48   1HG   PRO   7          1HG       PRO   7  -1.832  -7.378  -5.231
   49   2HG   PRO   7          2HG       PRO   7  -0.974  -8.594  -6.190
   50   1HD   PRO   7          1HD       PRO   7   0.128  -7.419  -4.037
   51   2HD   PRO   7          2HD       PRO   7   1.090  -7.902  -5.443
   52    H    PHE   8           H        PHE   8  -1.184  -4.718  -4.476
   53    HA   PHE   8           HA       PHE   8  -2.337  -2.255  -5.597
   54   1HB   PHE   8          1HB       PHE   8  -3.495  -3.726  -3.237
   55   2HB   PHE   8          2HB       PHE   8  -4.253  -2.487  -4.231
   56    HD1  PHE   8           1HD      PHE   8  -3.336  -6.026  -4.011
   57    HD2  PHE   8           2HD      PHE   8  -5.257  -3.030  -6.343
   58    HE1  PHE   8           1HE      PHE   8  -4.402  -7.773  -5.378
   59    HE2  PHE   8           2HE      PHE   8  -6.328  -4.772  -7.710
   60    HZ   PHE   8           HZ       PHE   8  -5.888  -7.148  -7.237
   61    H    GLN   9           H        GLN   9  -1.215  -0.570  -4.837
   62    HA   GLN   9           HA       GLN   9  -0.211  -0.744  -2.072
   63   1HB   GLN   9          1HB       GLN   9   1.161  -0.034  -4.614
   64   2HB   GLN   9          2HB       GLN   9   1.621   0.854  -3.166
   65   1HG   GLN   9          1HG       GLN   9   1.490  -1.996  -2.689
   66   2HG   GLN   9          2HG       GLN   9   2.604  -1.589  -3.992
   67   1HE2  GLN   9          1HE2      GLN   9   1.900   0.543  -1.312
   68   2HE2  GLN   9          2HE2      GLN   9   3.461   0.434  -0.574
   69    H    CYS  10           H        CYS  10  -0.453   0.968  -0.790
   70    HA   CYS  10           HA       CYS  10  -2.144   3.137  -1.623
   71   1HB   CYS  10          1HB       CYS  10  -2.482   2.661   0.640
   72   2HB   CYS  10          2HB       CYS  10  -0.773   2.364   0.934
   73    HA   PRO  11           HA       PRO  11   1.327   5.612  -2.939
   74   1HB   PRO  11          1HB       PRO  11  -0.031   7.687  -3.894
   75   2HB   PRO  11          2HB       PRO  11  -0.102   6.114  -4.694
   76   1HG   PRO  11          1HG       PRO  11  -2.089   7.407  -2.874
   77   2HG   PRO  11          2HG       PRO  11  -2.370   6.459  -4.345
   78   1HD   PRO  11          1HD       PRO  11  -2.562   5.478  -1.760
   79   2HD   PRO  11          2HD       PRO  11  -2.314   4.484  -3.209
   80    H    ASP  12           H        ASP  12  -0.446   6.036  -0.211
   81    HA   ASP  12           HA       ASP  12   0.629   8.723   0.342
   82   1HB   ASP  12          1HB       ASP  12  -1.860   8.332   0.485
   83   2HB   ASP  12          2HB       ASP  12  -1.548   7.298   1.875
   84    H    CYS  13           H        CYS  13   0.139   5.567   1.933
   85    HA   CYS  13           HA       CYS  13   2.263   6.291   3.846
   86   1HB   CYS  13          1HB       CYS  13   0.554   3.871   4.212
   87   2HB   CYS  13          2HB       CYS  13   1.289   4.911   5.424
   88    H    ASP  14           H        ASP  14   1.687   4.507   1.104
   89    HA   ASP  14           HA       ASP  14   2.865   2.954  -0.069
   90   1HB   ASP  14          1HB       ASP  14   4.893   4.134   1.148
   91   2HB   ASP  14          2HB       ASP  14   4.946   2.622   2.050
   92    H    TRP  15           H        TRP  15   0.843   2.421   1.901
   93    HA   TRP  15           HA       TRP  15   1.440  -0.056   3.210
   94   1HB   TRP  15          1HB       TRP  15  -0.913   1.661   2.819
   95   2HB   TRP  15          2HB       TRP  15  -1.276  -0.058   2.880
   96    HD1  TRP  15           HD       TRP  15  -0.340   2.854   5.056
   97    HE1  TRP  15           1HE      TRP  15  -0.254   2.095   7.518
   98    HE3  TRP  15           3HE      TRP  15  -0.668  -2.199   4.357
   99    HZ2  TRP  15           2HZ      TRP  15  -0.321  -0.330   8.966
  100    HZ3  TRP  15           3HZ      TRP  15  -0.656  -3.667   6.331
  101    HH2  TRP  15           HH       TRP  15  -0.490  -2.750   8.587
  102    H    SER  16           H        SER  16   1.274  -2.079   2.403
  103    HA   SER  16           HA       SER  16   0.518  -2.248  -0.436
  104   1HB   SER  16          1HB       SER  16   2.292  -4.333   0.633
  105   2HB   SER  16          2HB       SER  16   2.424  -3.388  -0.851
  106    HG   SER  16           HG       SER  16   2.842  -1.662   1.026
  107    H    PHE  17           H        PHE  17  -1.012  -3.623  -1.042
  108    HA   PHE  17           HA       PHE  17  -1.919  -5.656   0.890
  109   1HB   PHE  17          1HB       PHE  17  -3.672  -3.897  -0.843
  110   2HB   PHE  17          2HB       PHE  17  -4.232  -5.150   0.258
  111    HD1  PHE  17           1HD      PHE  17  -2.762  -1.805   0.009
  112    HD2  PHE  17           2HD      PHE  17  -4.322  -4.788   2.611
  113    HE1  PHE  17           1HE      PHE  17  -2.853  -0.156   1.829
  114    HE2  PHE  17           2HE      PHE  17  -4.413  -3.146   4.439
  115    HZ   PHE  17           HZ       PHE  17  -3.676  -0.831   4.053
  116    H    SER  18           H        SER  18  -2.581  -7.594   0.060
  117    HA   SER  18           HA       SER  18  -1.869  -8.123  -2.720
  118   1HB   SER  18          1HB       SER  18  -2.996 -10.380  -1.290
  119   2HB   SER  18          2HB       SER  18  -1.373 -10.177  -1.949
  120    HG   SER  18           HG       SER  18  -0.651  -9.677  -0.034
  121    H    ARG  19           H        ARG  19  -4.535  -7.178  -0.957
  122    HA   ARG  19           HA       ARG  19  -6.402  -8.169  -3.023
  123   1HB   ARG  19          1HB       ARG  19  -6.600  -8.225  -0.059
  124   2HB   ARG  19          2HB       ARG  19  -8.050  -7.732  -0.925
  125   1HG   ARG  19          1HG       ARG  19  -8.060  -9.802  -2.164
  126   2HG   ARG  19          2HG       ARG  19  -6.539 -10.281  -1.413
  127   1HD   ARG  19          1HD       ARG  19  -8.428 -11.393  -0.360
  128   2HD   ARG  19          2HD       ARG  19  -7.610 -10.317   0.770
  129    HE   ARG  19           HE       ARG  19  -9.497  -8.697   0.075
  130   1HH1  ARG  19          2HH1      ARG  19  -9.842 -12.177   0.293
  131   2HH1  ARG  19          1HH1      ARG  19 -11.508 -12.104   0.812
  132   1HH2  ARG  19          2HH2      ARG  19 -11.658  -8.585   0.755
  133   2HH2  ARG  19          1HH2      ARG  19 -12.547 -10.059   1.066
  134    H    SER  20           H        SER  20  -7.471  -6.803  -4.036
  135    HA   SER  20           HA       SER  20  -6.971  -4.074  -3.903
  136   1HB   SER  20          1HB       SER  20  -9.009  -4.143  -5.494
  137   2HB   SER  20          2HB       SER  20  -7.544  -4.982  -5.956
  138    HG   SER  20           HG       SER  20  -9.921  -6.007  -5.814
  139    H    ASP  21           H        ASP  21  -9.633  -6.051  -2.704
  140    HA   ASP  21           HA       ASP  21 -11.284  -3.923  -1.806
  141   1HB   ASP  21          1HB       ASP  21 -12.605  -5.750  -1.756
  142   2HB   ASP  21          2HB       ASP  21 -11.230  -6.839  -1.654
  143    H    HIS  22           H        HIS  22  -8.533  -5.597  -0.447
  144    HA   HIS  22           HA       HIS  22  -8.907  -4.586   2.211
  145   1HB   HIS  22          1HB       HIS  22  -6.812  -6.147   0.818
  146   2HB   HIS  22          2HB       HIS  22  -6.293  -5.195   2.203
  147    HD1  HIS  22           1HD      HIS  22  -6.128  -6.784   4.115
  148    HD2  HIS  22           2HD      HIS  22  -9.540  -7.395   1.828
  149    HE1  HIS  22           1HE      HIS  22  -7.444  -8.555   5.325
  150    HE2  HIS  22           2HE      HIS  22  -9.611  -8.731   4.046
  151    H    LEU  23           H        LEU  23  -7.064  -3.639  -0.636
  152    HA   LEU  23           HA       LEU  23  -5.690  -1.456   0.532
  153   1HB   LEU  23          1HB       LEU  23  -4.927  -2.327  -1.575
  154   2HB   LEU  23          2HB       LEU  23  -6.489  -2.043  -2.320
  155    HG   LEU  23           HG       LEU  23  -6.062   0.441  -1.830
  156   1HD1  LEU  23          1HD1      LEU  23  -3.280   0.382  -2.077
  157   2HD1  LEU  23          2HD1      LEU  23  -4.231   0.939  -0.700
  158   3HD1  LEU  23          3HD1      LEU  23  -3.679  -0.734  -0.770
  159   1HD2  LEU  23          1HD2      LEU  23  -4.145  -0.715  -3.814
  160   2HD2  LEU  23          2HD2      LEU  23  -5.888  -0.850  -4.052
  161   3HD2  LEU  23          3HD2      LEU  23  -5.134   0.740  -3.937
  162    H    ALA  24           H        ALA  24  -8.787  -1.792  -1.129
  163    HA   ALA  24           HA       ALA  24  -9.523   0.928  -1.119
  164   1HB   ALA  24          1HB       ALA  24 -10.779  -0.413  -2.538
  165   2HB   ALA  24          2HB       ALA  24 -11.060  -1.637  -1.302
  166   3HB   ALA  24          3HB       ALA  24 -11.894  -0.089  -1.211
  167    H    LEU  25           H        LEU  25  -9.826  -1.634   1.265
  168    HA   LEU  25           HA       LEU  25 -11.492  -0.237   3.090
  169   1HB   LEU  25          1HB       LEU  25 -10.187  -2.766   2.938
  170   2HB   LEU  25          2HB       LEU  25  -9.777  -2.034   4.476
  171    HG   LEU  25           HG       LEU  25 -11.931  -2.131   5.266
  172   1HD1  LEU  25          1HD1      LEU  25 -12.992  -2.370   2.456
  173   2HD1  LEU  25          2HD1      LEU  25 -13.932  -2.184   3.934
  174   3HD1  LEU  25          3HD1      LEU  25 -12.905  -0.866   3.369
  175   1HD2  LEU  25          1HD2      LEU  25 -11.191  -4.426   3.595
  176   2HD2  LEU  25          2HD2      LEU  25 -11.653  -4.359   5.294
  177   3HD2  LEU  25          3HD2      LEU  25 -12.894  -4.346   4.041
  178    H    HIS  26           H        HIS  26  -8.214   0.102   2.245
  179    HA   HIS  26           HA       HIS  26  -7.568   1.451   4.766
  180   1HB   HIS  26          1HB       HIS  26  -5.870  -0.094   4.113
  181   2HB   HIS  26          2HB       HIS  26  -5.886   0.487   2.452
  182    HD1  HIS  26           1HD      HIS  26  -4.825   1.668   5.918
  183    HD2  HIS  26           2HD      HIS  26  -4.109   2.438   1.895
  184    HE1  HIS  26           1HE      HIS  26  -2.981   3.399   5.833
  185    H    ARG  27           H        ARG  27  -7.542   1.964   1.254
  186    HA   ARG  27           HA       ARG  27  -6.755   4.688   1.488
  187   1HB   ARG  27          1HB       ARG  27  -7.888   3.229  -0.902
  188   2HB   ARG  27          2HB       ARG  27  -7.083   4.792  -0.938
  189   1HG   ARG  27          1HG       ARG  27  -5.270   3.157   0.347
  190   2HG   ARG  27          2HG       ARG  27  -5.961   2.124  -0.904
  191   1HD   ARG  27          1HD       ARG  27  -3.921   3.960  -1.237
  192   2HD   ARG  27          2HD       ARG  27  -4.871   3.199  -2.518
  193    HE   ARG  27           HE       ARG  27  -5.393   5.865  -1.380
  194   1HH1  ARG  27          2HH1      ARG  27  -5.749   3.517  -3.937
  195   2HH1  ARG  27          1HH1      ARG  27  -6.424   4.646  -5.069
  196   1HH2  ARG  27          2HH2      ARG  27  -6.271   7.374  -2.848
  197   2HH2  ARG  27          1HH2      ARG  27  -6.742   6.847  -4.436
  198    H    LYS  28           H        LYS  28  -9.686   3.285   2.120
  199    HA   LYS  28           HA       LYS  28 -11.449   5.221   1.036
  200   1HB   LYS  28          1HB       LYS  28 -13.103   4.367   2.578
  201   2HB   LYS  28          2HB       LYS  28 -12.215   3.022   1.879
  202   1HG   LYS  28          1HG       LYS  28 -11.267   2.441   3.858
  203   2HG   LYS  28          2HG       LYS  28 -11.256   4.098   4.466
  204   1HD   LYS  28          1HD       LYS  28 -13.962   3.340   4.120
  205   2HD   LYS  28          2HD       LYS  28 -13.146   2.020   4.961
  206   1HE   LYS  28          2HE       LYS  28 -12.524   4.738   5.919
  207   2HE   LYS  28          1HE       LYS  28 -14.176   4.186   6.196
  208   1HZ   LYS  28          1HZ       LYS  28 -12.843   3.591   8.070
  209   2HZ   LYS  28          2HZ       LYS  28 -11.676   2.853   7.082
  210   3HZ   LYS  28          3HZ       LYS  28 -13.222   2.165   7.230
  211    H    ARG  29           H        ARG  29  -9.469   5.054   3.899
  212    HA   ARG  29           HA       ARG  29 -10.517   7.373   5.174
  213   1HB   ARG  29          1HB       ARG  29  -8.897   7.051   6.773
  214   2HB   ARG  29          2HB       ARG  29  -9.012   5.429   6.107
  215   1HG   ARG  29          1HG       ARG  29  -6.893   5.452   5.447
  216   2HG   ARG  29          2HG       ARG  29  -7.068   7.033   4.680
  217   1HD   ARG  29          1HD       ARG  29  -6.879   6.801   7.655
  218   2HD   ARG  29          2HD       ARG  29  -5.422   6.743   6.665
  219    HE   ARG  29           HE       ARG  29  -6.076   8.968   5.827
  220   1HH1  ARG  29          2HH1      ARG  29  -7.411   7.832   8.865
  221   2HH1  ARG  29          1HH1      ARG  29  -7.698   9.436   9.485
  222   1HH2  ARG  29          2HH2      ARG  29  -6.409  11.070   6.647
  223   2HH2  ARG  29          1HH2      ARG  29  -7.110  11.277   8.227
  224    H    HIS  30           H        HIS  30  -8.483   6.824   2.511
  225    HA   HIS  30           HA       HIS  30  -7.265   9.472   2.586
  226   1HB   HIS  30          1HB       HIS  30  -7.001   7.199   0.605
  227   2HB   HIS  30          2HB       HIS  30  -6.133   8.725   0.493
  228    HD1  HIS  30           1HD      HIS  30  -5.168   9.014   3.401
  229    HD2  HIS  30           2HD      HIS  30  -4.981   5.497   1.195
  230    HE1  HIS  30           1HE      HIS  30  -3.419   7.561   4.512
  231    H    MET  31           H        MET  31 -10.022   7.932   1.501
  232    HA   MET  31           HA       MET  31 -10.498   9.706  -0.757
  233   1HB   MET  31          1HB       MET  31 -12.001   7.389   0.444
  234   2HB   MET  31          2HB       MET  31 -12.758   8.452  -0.734
  235   1HG   MET  31          1HG       MET  31 -10.848   7.926  -2.280
  236   2HG   MET  31          2HG       MET  31 -10.356   6.690  -1.124
  237   1HE   MET  31          1HE       MET  31 -10.797   4.476  -1.467
  238   2HE   MET  31          2HE       MET  31 -12.232   4.560  -0.443
  239   3HE   MET  31          3HE       MET  31 -12.304   3.723  -1.995
  240    H    LEU  32           H        LEU  32 -11.410   9.235   2.565
  241    HA   LEU  32           HA       LEU  32 -12.579  10.465   4.063
  242   1HB   LEU  32          1HB       LEU  32 -11.946  12.628   2.058
  243   2HB   LEU  32          2HB       LEU  32 -12.757  12.949   3.579
  244    HG   LEU  32           HG       LEU  32 -10.410  11.473   4.182
  245   1HD1  LEU  32          1HD1      LEU  32  -9.323  13.875   3.006
  246   2HD1  LEU  32          2HD1      LEU  32  -8.783  12.204   2.864
  247   3HD1  LEU  32          3HD1      LEU  32 -10.030  12.820   1.783
  248   1HD2  LEU  32          1HD2      LEU  32 -11.243  12.940   5.784
  249   2HD2  LEU  32          2HD2      LEU  32  -9.801  13.765   5.194
  250   3HD2  LEU  32          3HD2      LEU  32 -11.395  14.266   4.633
  251    H    VAL  33           H        VAL  33 -14.206   8.927   2.757
  252    HA   VAL  33           HA       VAL  33 -16.543  10.607   2.142
  253    HB   VAL  33           HB       VAL  33 -17.279   8.719   0.599
  254   1HG1  VAL  33          1HG1      VAL  33 -15.941   9.556  -1.305
  255   2HG1  VAL  33          2HG1      VAL  33 -16.598  10.844  -0.296
  256   3HG1  VAL  33          3HG1      VAL  33 -14.898  10.399  -0.162
  257   1HG2  VAL  33          1HG2      VAL  33 -15.547   7.313  -0.369
  258   2HG2  VAL  33          2HG2      VAL  33 -14.346   8.022   0.714
  259   3HG2  VAL  33          3HG2      VAL  33 -15.662   7.051   1.372
  Start of MODEL    4
    1   1H    GLY   1          1H        GLY   1   5.891 -14.890   3.318
    2   2H    GLY   1          2H        GLY   1   6.752 -16.351   3.416
    3   3H    GLY   1          3H        GLY   1   5.739 -16.045   2.089
    4   1HA   GLY   1          2HA       GLY   1   8.394 -15.644   2.109
    5   2HA   GLY   1          1HA       GLY   1   7.264 -14.873   1.003
    6    H    SER   2           H        SER   2   9.204 -13.329   1.132
    7    HA   SER   2           HA       SER   2   8.721 -11.403   3.313
    8   1HB   SER   2          1HB       SER   2  11.209 -11.168   1.728
    9   2HB   SER   2          2HB       SER   2  10.955 -10.986   3.465
   10    HG   SER   2           HG       SER   2  10.894 -13.241   3.652
   11    H    THR   3           H        THR   3   6.948 -11.305   1.342
   12    HA   THR   3           HA       THR   3   7.747  -9.605  -0.823
   13    HB   THR   3           HB       THR   3   4.878  -9.734  -0.324
   14    HG1  THR   3           1HG      THR   3   4.654 -11.956  -0.459
   15   1HG2  THR   3          1HG2      THR   3   4.807  -9.909  -2.567
   16   2HG2  THR   3          2HG2      THR   3   6.032 -11.176  -2.603
   17   3HG2  THR   3          3HG2      THR   3   6.516  -9.484  -2.489
   18    H    GLY   4           H        GLY   4   7.933  -7.471  -0.738
   19   1HA   GLY   4          1HA       GLY   4   6.686  -6.046   1.507
   20   2HA   GLY   4          2HA       GLY   4   8.041  -5.465   0.551
   21    H    ILE   5           H        ILE   5   7.191  -5.748  -1.985
   22    HA   ILE   5           HA       ILE   5   5.101  -3.719  -2.150
   23    HB   ILE   5           HB       ILE   5   6.758  -4.938  -4.365
   24   1HG1  ILE   5          2HG1      ILE   5   8.172  -3.760  -2.752
   25   2HG1  ILE   5          1HG1      ILE   5   8.083  -2.868  -4.272
   26   1HG2  ILE   5          1HG2      ILE   5   5.391  -2.289  -4.530
   27   2HG2  ILE   5          2HG2      ILE   5   5.883  -3.384  -5.821
   28   3HG2  ILE   5          3HG2      ILE   5   4.478  -3.770  -4.827
   29   1HD1  ILE   5          1HD1      ILE   5   7.570  -1.080  -3.078
   30   2HD1  ILE   5          2HD1      ILE   5   6.022  -1.841  -2.709
   31   3HD1  ILE   5          3HD1      ILE   5   7.387  -2.041  -1.611
   32    H    LYS   6           H        LYS   6   3.059  -4.155  -2.661
   33    HA   LYS   6           HA       LYS   6   2.409  -6.830  -3.743
   34   1HB   LYS   6          1HB       LYS   6   1.119  -5.134  -1.675
   35   2HB   LYS   6          2HB       LYS   6   0.076  -6.079  -2.731
   36   1HG   LYS   6          1HG       LYS   6   0.374  -7.739  -1.293
   37   2HG   LYS   6          2HG       LYS   6   1.991  -7.894  -1.982
   38   1HD   LYS   6          1HD       LYS   6   2.487  -5.961  -0.217
   39   2HD   LYS   6          2HD       LYS   6   1.120  -6.726   0.600
   40   1HE   LYS   6          2HE       LYS   6   2.534  -8.911  -0.037
   41   2HE   LYS   6          1HE       LYS   6   3.849  -7.746   0.099
   42   1HZ   LYS   6          1HZ       LYS   6   3.195  -8.997   2.183
   43   2HZ   LYS   6          2HZ       LYS   6   1.796  -8.034   2.206
   44   3HZ   LYS   6          3HZ       LYS   6   3.325  -7.308   2.318
   45    HA   PRO   7           HA       PRO   7   0.696  -5.196  -7.392
   46   1HB   PRO   7          1HB       PRO   7  -1.815  -6.375  -7.453
   47   2HB   PRO   7          2HB       PRO   7  -0.317  -7.150  -7.975
   48   1HG   PRO   7          1HG       PRO   7  -1.774  -7.395  -5.382
   49   2HG   PRO   7          2HG       PRO   7  -0.930  -8.641  -6.318
   50   1HD   PRO   7          1HD       PRO   7   0.156  -7.560  -4.129
   51   2HD   PRO   7          2HD       PRO   7   1.147  -7.998  -5.533
   52    H    PHE   8           H        PHE   8  -1.095  -4.852  -4.467
   53    HA   PHE   8           HA       PHE   8  -2.393  -2.442  -5.539
   54   1HB   PHE   8          1HB       PHE   8  -3.373  -4.068  -3.187
   55   2HB   PHE   8          2HB       PHE   8  -4.219  -2.772  -4.031
   56    HD1  PHE   8           1HD      PHE   8  -3.332  -6.299  -4.056
   57    HD2  PHE   8           2HD      PHE   8  -5.171  -3.147  -6.251
   58    HE1  PHE   8           1HE      PHE   8  -4.394  -7.951  -5.542
   59    HE2  PHE   8           2HE      PHE   8  -6.231  -4.794  -7.737
   60    HZ   PHE   8           HZ       PHE   8  -5.834  -7.199  -7.389
   61    H    GLN   9           H        GLN   9  -1.552  -0.666  -4.750
   62    HA   GLN   9           HA       GLN   9  -0.177  -0.780  -2.152
   63   1HB   GLN   9          1HB       GLN   9   0.834  -0.234  -4.840
   64   2HB   GLN   9          2HB       GLN   9   1.250   1.022  -3.678
   65   1HG   GLN   9          1HG       GLN   9   1.706  -1.479  -2.449
   66   2HG   GLN   9          2HG       GLN   9   2.443  -1.518  -4.052
   67   1HE2  GLN   9          1HE2      GLN   9   2.117   0.677  -1.282
   68   2HE2  GLN   9          2HE2      GLN   9   3.755   1.267  -1.343
   69    H    CYS  10           H        CYS  10  -0.269   1.002  -0.873
   70    HA   CYS  10           HA       CYS  10  -2.132   3.105  -1.633
   71   1HB   CYS  10          1HB       CYS  10  -2.386   2.563   0.650
   72   2HB   CYS  10          2HB       CYS  10  -0.653   2.450   0.905
   73    HA   PRO  11           HA       PRO  11   1.332   5.548  -3.006
   74   1HB   PRO  11          1HB       PRO  11  -0.038   7.552  -4.084
   75   2HB   PRO  11          2HB       PRO  11  -0.090   5.936  -4.794
   76   1HG   PRO  11          1HG       PRO  11  -2.108   7.324  -3.090
   77   2HG   PRO  11          2HG       PRO  11  -2.360   6.259  -4.484
   78   1HD   PRO  11          1HD       PRO  11  -2.537   5.500  -1.806
   79   2HD   PRO  11          2HD       PRO  11  -2.347   4.394  -3.180
   80    H    ASP  12           H        ASP  12  -0.501   6.072  -0.331
   81    HA   ASP  12           HA       ASP  12   0.588   8.766   0.148
   82   1HB   ASP  12          1HB       ASP  12  -1.887   8.471   0.309
   83   2HB   ASP  12          2HB       ASP  12  -1.629   7.370   1.660
   84    H    CYS  13           H        CYS  13   0.072   5.653   1.825
   85    HA   CYS  13           HA       CYS  13   2.161   6.431   3.747
   86   1HB   CYS  13          1HB       CYS  13   0.533   3.946   4.061
   87   2HB   CYS  13          2HB       CYS  13   1.248   4.972   5.297
   88    H    ASP  14           H        ASP  14   1.803   4.710   0.956
   89    HA   ASP  14           HA       ASP  14   3.088   3.217  -0.177
   90   1HB   ASP  14          1HB       ASP  14   4.978   4.521   1.095
   91   2HB   ASP  14          2HB       ASP  14   5.081   3.052   2.057
   92    H    TRP  15           H        TRP  15   1.012   2.478   1.676
   93    HA   TRP  15           HA       TRP  15   1.768   0.039   2.989
   94   1HB   TRP  15          1HB       TRP  15  -0.727   1.575   2.556
   95   2HB   TRP  15          2HB       TRP  15  -0.929  -0.164   2.691
   96    HD1  TRP  15           HD       TRP  15  -0.065   2.913   4.723
   97    HE1  TRP  15           1HE      TRP  15  -0.027   2.297   7.223
   98    HE3  TRP  15           3HE      TRP  15  -0.467  -2.167   4.310
   99    HZ2  TRP  15           2HZ      TRP  15  -0.148  -0.031   8.802
  100    HZ3  TRP  15           3HZ      TRP  15  -0.508  -3.513   6.370
  101    HH2  TRP  15           HH       TRP  15  -0.349  -2.466   8.569
  102    H    SER  16           H        SER  16   1.089  -2.087   2.318
  103    HA   SER  16           HA       SER  16   0.551  -2.299  -0.563
  104   1HB   SER  16          1HB       SER  16   2.229  -4.451   0.410
  105   2HB   SER  16          2HB       SER  16   2.495  -3.349  -0.941
  106    HG   SER  16           HG       SER  16   3.724  -2.127   0.280
  107    H    PHE  17           H        PHE  17  -0.952  -3.727  -1.141
  108    HA   PHE  17           HA       PHE  17  -1.870  -5.709   0.833
  109   1HB   PHE  17          1HB       PHE  17  -3.648  -3.914  -0.840
  110   2HB   PHE  17          2HB       PHE  17  -4.199  -5.175   0.259
  111    HD1  PHE  17           1HD      PHE  17  -4.219  -4.841   2.620
  112    HD2  PHE  17           2HD      PHE  17  -2.701  -1.838   0.018
  113    HE1  PHE  17           1HE      PHE  17  -4.231  -3.225   4.480
  114    HE2  PHE  17           2HE      PHE  17  -2.710  -0.217   1.866
  115    HZ   PHE  17           HZ       PHE  17  -3.474  -0.913   4.102
  116    H    SER  18           H        SER  18  -2.576  -7.649  -0.021
  117    HA   SER  18           HA       SER  18  -1.892  -8.113  -2.818
  118   1HB   SER  18          1HB       SER  18  -2.965 -10.296  -1.095
  119   2HB   SER  18          2HB       SER  18  -1.641 -10.327  -2.259
  120    HG   SER  18           HG       SER  18  -0.315  -9.988  -0.677
  121    H    ARG  19           H        ARG  19  -4.528  -7.162  -1.085
  122    HA   ARG  19           HA       ARG  19  -6.398  -8.129  -3.157
  123   1HB   ARG  19          1HB       ARG  19  -6.598  -8.301  -0.224
  124   2HB   ARG  19          2HB       ARG  19  -8.002  -7.580  -0.993
  125   1HG   ARG  19          1HG       ARG  19  -8.414  -9.517  -2.280
  126   2HG   ARG  19          2HG       ARG  19  -6.849 -10.215  -1.858
  127   1HD   ARG  19          1HD       ARG  19  -8.466 -11.334  -0.539
  128   2HD   ARG  19          2HD       ARG  19  -7.623 -10.221   0.535
  129    HE   ARG  19           HE       ARG  19  -9.666  -8.716  -0.034
  130   1HH1  ARG  19          2HH1      ARG  19  -9.719 -12.190   0.432
  131   2HH1  ARG  19          1HH1      ARG  19 -11.325 -12.193   1.100
  132   1HH2  ARG  19          2HH2      ARG  19 -11.767  -8.716   0.823
  133   2HH2  ARG  19          1HH2      ARG  19 -12.503 -10.229   1.292
  134    H    SER  20           H        SER  20  -7.417  -6.735  -4.180
  135    HA   SER  20           HA       SER  20  -6.939  -4.003  -4.040
  136   1HB   SER  20          1HB       SER  20  -8.911  -4.008  -5.625
  137   2HB   SER  20          2HB       SER  20  -7.570  -5.034  -6.077
  138    HG   SER  20           HG       SER  20  -9.962  -5.817  -6.016
  139    H    ASP  21           H        ASP  21  -9.544  -6.025  -2.814
  140    HA   ASP  21           HA       ASP  21 -11.246  -3.953  -1.934
  141   1HB   ASP  21          1HB       ASP  21 -12.474  -5.855  -1.940
  142   2HB   ASP  21          2HB       ASP  21 -11.060  -6.872  -1.699
  143    H    HIS  22           H        HIS  22  -8.493  -5.543  -0.454
  144    HA   HIS  22           HA       HIS  22  -8.971  -4.397   2.146
  145   1HB   HIS  22          1HB       HIS  22  -6.862  -6.085   0.924
  146   2HB   HIS  22          2HB       HIS  22  -6.386  -5.084   2.287
  147    HD1  HIS  22           1HD      HIS  22  -6.237  -6.745   4.155
  148    HD2  HIS  22           2HD      HIS  22  -9.785  -7.075   2.003
  149    HE1  HIS  22           1HE      HIS  22  -7.659  -8.389   5.424
  150    HE2  HIS  22           2HE      HIS  22  -9.870  -8.404   4.218
  151    H    LEU  23           H        LEU  23  -7.000  -3.624  -0.670
  152    HA   LEU  23           HA       LEU  23  -5.610  -1.443   0.477
  153   1HB   LEU  23          1HB       LEU  23  -4.827  -2.364  -1.598
  154   2HB   LEU  23          2HB       LEU  23  -6.367  -2.049  -2.378
  155    HG   LEU  23           HG       LEU  23  -5.913   0.421  -2.003
  156   1HD1  LEU  23          1HD1      LEU  23  -3.934   1.189  -1.217
  157   2HD1  LEU  23          2HD1      LEU  23  -4.024  -0.325  -0.314
  158   3HD1  LEU  23          3HD1      LEU  23  -3.040  -0.226  -1.775
  159   1HD2  LEU  23          1HD2      LEU  23  -4.942  -1.371  -3.981
  160   2HD2  LEU  23          2HD2      LEU  23  -5.388   0.327  -4.154
  161   3HD2  LEU  23          3HD2      LEU  23  -3.734  -0.111  -3.729
  162    H    ALA  24           H        ALA  24  -8.660  -1.710  -1.301
  163    HA   ALA  24           HA       ALA  24  -9.267   1.042  -1.320
  164   1HB   ALA  24          1HB       ALA  24 -11.701  -0.313  -1.240
  165   2HB   ALA  24          2HB       ALA  24 -10.813   0.192  -2.677
  166   3HB   ALA  24          3HB       ALA  24 -10.583  -1.430  -2.025
  167    H    LEU  25           H        LEU  25  -9.821  -1.522   1.020
  168    HA   LEU  25           HA       LEU  25 -11.522  -0.124   2.784
  169   1HB   LEU  25          1HB       LEU  25  -9.732  -2.488   2.958
  170   2HB   LEU  25          2HB       LEU  25 -10.222  -1.743   4.468
  171    HG   LEU  25           HG       LEU  25 -12.234  -2.588   2.401
  172   1HD1  LEU  25          1HD1      LEU  25 -10.495  -4.323   3.703
  173   2HD1  LEU  25          2HD1      LEU  25 -11.985  -4.385   4.643
  174   3HD1  LEU  25          3HD1      LEU  25 -12.018  -4.738   2.917
  175   1HD2  LEU  25          1HD2      LEU  25 -13.009  -1.054   4.124
  176   2HD2  LEU  25          2HD2      LEU  25 -13.720  -2.652   4.350
  177   3HD2  LEU  25          3HD2      LEU  25 -12.386  -2.127   5.377
  178    H    HIS  26           H        HIS  26  -8.021  -0.289   2.473
  179    HA   HIS  26           HA       HIS  26  -7.471   1.180   4.864
  180   1HB   HIS  26          1HB       HIS  26  -5.724  -0.235   4.122
  181   2HB   HIS  26          2HB       HIS  26  -5.822   0.366   2.472
  182    HD1  HIS  26           1HD      HIS  26  -4.788   1.646   5.913
  183    HD2  HIS  26           2HD      HIS  26  -4.026   2.287   1.877
  184    HE1  HIS  26           1HE      HIS  26  -2.944   3.370   5.797
  185    H    ARG  27           H        ARG  27  -7.825   1.943   1.454
  186    HA   ARG  27           HA       ARG  27  -6.997   4.672   1.862
  187   1HB   ARG  27          1HB       ARG  27  -8.055   3.302  -0.612
  188   2HB   ARG  27          2HB       ARG  27  -7.357   4.910  -0.559
  189   1HG   ARG  27          1HG       ARG  27  -5.406   3.406   0.614
  190   2HG   ARG  27          2HG       ARG  27  -6.057   2.302  -0.595
  191   1HD   ARG  27          1HD       ARG  27  -4.145   4.179  -1.069
  192   2HD   ARG  27          2HD       ARG  27  -5.199   3.468  -2.299
  193    HE   ARG  27           HE       ARG  27  -5.669   6.065  -0.977
  194   1HH1  ARG  27          2HH1      ARG  27  -5.886   3.956  -3.760
  195   2HH1  ARG  27          1HH1      ARG  27  -6.722   5.124  -4.737
  196   1HH2  ARG  27          2HH2      ARG  27  -6.730   7.628  -2.290
  197   2HH2  ARG  27          1HH2      ARG  27  -7.172   7.201  -3.917
  198    H    LYS  28           H        LYS  28  -9.746   3.301   2.754
  199    HA   LYS  28           HA       LYS  28 -11.779   4.927   1.642
  200   1HB   LYS  28          1HB       LYS  28 -11.628   3.641   4.375
  201   2HB   LYS  28          2HB       LYS  28 -13.075   4.355   3.678
  202   1HG   LYS  28          1HG       LYS  28 -12.286   2.588   1.740
  203   2HG   LYS  28          2HG       LYS  28 -11.869   1.757   3.239
  204   1HD   LYS  28          1HD       LYS  28 -14.168   2.135   4.055
  205   2HD   LYS  28          2HD       LYS  28 -14.565   2.894   2.512
  206   1HE   LYS  28          2HE       LYS  28 -13.799   0.715   1.432
  207   2HE   LYS  28          1HE       LYS  28 -13.846   0.024   3.054
  208   1HZ   LYS  28          1HZ       LYS  28 -16.087   1.067   1.431
  209   2HZ   LYS  28          2HZ       LYS  28 -16.223   0.904   3.114
  210   3HZ   LYS  28          3HZ       LYS  28 -15.919  -0.458   2.153
  211    H    ARG  29           H        ARG  29  -9.666   5.279   4.436
  212    HA   ARG  29           HA       ARG  29 -10.811   7.746   5.288
  213   1HB   ARG  29          1HB       ARG  29  -8.491   7.885   6.527
  214   2HB   ARG  29          2HB       ARG  29  -9.731   6.761   7.058
  215   1HG   ARG  29          1HG       ARG  29  -8.467   4.982   6.600
  216   2HG   ARG  29          2HG       ARG  29  -7.938   5.640   5.052
  217   1HD   ARG  29          1HD       ARG  29  -6.233   5.257   7.016
  218   2HD   ARG  29          2HD       ARG  29  -6.097   6.661   5.960
  219    HE   ARG  29           HE       ARG  29  -7.708   7.183   8.269
  220   1HH1  ARG  29          2HH1      ARG  29  -4.388   6.895   7.183
  221   2HH1  ARG  29          1HH1      ARG  29  -3.775   8.034   8.346
  222   1HH2  ARG  29          2HH2      ARG  29  -6.905   8.655   9.811
  223   2HH2  ARG  29          1HH2      ARG  29  -5.208   9.023   9.855
  224    H    HIS  30           H        HIS  30  -8.639   6.866   2.839
  225    HA   HIS  30           HA       HIS  30  -7.335   9.440   2.642
  226   1HB   HIS  30          1HB       HIS  30  -7.285   7.030   0.827
  227   2HB   HIS  30          2HB       HIS  30  -6.344   8.489   0.560
  228    HD1  HIS  30           1HD      HIS  30  -5.552   8.706   3.725
  229    HD2  HIS  30           2HD      HIS  30  -5.044   5.473   1.157
  230    HE1  HIS  30           1HE      HIS  30  -3.668   7.313   4.680
  231    H    MET  31           H        MET  31  -9.690   7.561   0.876
  232    HA   MET  31           HA       MET  31 -10.203   9.619  -1.063
  233   1HB   MET  31          1HB       MET  31 -11.566   6.988  -0.479
  234   2HB   MET  31          2HB       MET  31 -12.023   8.051  -1.801
  235   1HG   MET  31          1HG       MET  31 -10.163   7.565  -3.024
  236   2HG   MET  31          2HG       MET  31  -9.185   7.209  -1.602
  237   1HE   MET  31          1HE       MET  31 -10.056   5.785  -4.599
  238   2HE   MET  31          2HE       MET  31 -10.884   4.243  -4.379
  239   3HE   MET  31          3HE       MET  31 -11.780   5.754  -4.222
  240    H    LEU  32           H        LEU  32 -11.119   9.194   2.071
  241    HA   LEU  32           HA       LEU  32 -12.656  10.124   3.441
  242   1HB   LEU  32          1HB       LEU  32 -12.219  12.041   1.467
  243   2HB   LEU  32          2HB       LEU  32 -13.963  11.921   1.576
  244    HG   LEU  32           HG       LEU  32 -13.538  12.148   4.149
  245   1HD1  LEU  32          1HD1      LEU  32 -11.561  12.958   4.864
  246   2HD1  LEU  32          2HD1      LEU  32 -10.956  12.135   3.427
  247   3HD1  LEU  32          3HD1      LEU  32 -11.273  13.871   3.383
  248   1HD2  LEU  32          1HD2      LEU  32 -13.077  14.671   2.633
  249   2HD2  LEU  32          2HD2      LEU  32 -14.568  13.767   2.363
  250   3HD2  LEU  32          3HD2      LEU  32 -14.168  14.344   3.981
  251    H    VAL  33           H        VAL  33 -13.429   7.791   2.611
  252    HA   VAL  33           HA       VAL  33 -16.203   8.060   1.671
  253    HB   VAL  33           HB       VAL  33 -15.178   5.331   2.103
  254   1HG1  VAL  33          1HG1      VAL  33 -17.349   6.261   0.957
  255   2HG1  VAL  33          2HG1      VAL  33 -16.300   6.351  -0.458
  256   3HG1  VAL  33          3HG1      VAL  33 -16.555   4.806   0.351
  257   1HG2  VAL  33          1HG2      VAL  33 -13.654   7.226   0.485
  258   2HG2  VAL  33          2HG2      VAL  33 -13.204   5.632   1.089
  259   3HG2  VAL  33          3HG2      VAL  33 -14.148   5.779  -0.394
  Start of MODEL    5
    1   1H    GLY   1          1H        GLY   1   7.702 -16.594   1.073
    2   2H    GLY   1          2H        GLY   1   9.353 -16.263   0.861
    3   3H    GLY   1          3H        GLY   1   8.584 -17.415  -0.120
    4   1HA   GLY   1          2HA       GLY   1   9.032 -15.121  -1.101
    5   2HA   GLY   1          1HA       GLY   1   7.452 -15.853  -1.350
    6    H    SER   2           H        SER   2   9.144 -13.868   1.074
    7    HA   SER   2           HA       SER   2   6.674 -12.601   1.854
    8   1HB   SER   2          1HB       SER   2   9.433 -11.719   2.676
    9   2HB   SER   2          2HB       SER   2   7.921 -11.588   3.574
   10    HG   SER   2           HG       SER   2   7.960 -13.994   3.492
   11    H    THR   3           H        THR   3   5.885 -11.427   0.161
   12    HA   THR   3           HA       THR   3   7.548  -9.674  -1.383
   13    HB   THR   3           HB       THR   3   4.660  -9.221  -1.559
   14    HG1  THR   3           1HG      THR   3   4.227 -11.326  -2.394
   15   1HG2  THR   3          1HG2      THR   3   6.987  -9.400  -3.262
   16   2HG2  THR   3          2HG2      THR   3   5.432  -8.626  -3.568
   17   3HG2  THR   3          3HG2      THR   3   5.649 -10.341  -3.920
   18    H    GLY   4           H        GLY   4   7.799  -7.507  -1.206
   19   1HA   GLY   4          1HA       GLY   4   6.661  -6.228   1.188
   20   2HA   GLY   4          2HA       GLY   4   8.019  -5.631   0.240
   21    H    ILE   5           H        ILE   5   7.012  -5.766  -2.283
   22    HA   ILE   5           HA       ILE   5   4.961  -3.673  -2.257
   23    HB   ILE   5           HB       ILE   5   6.483  -4.748  -4.636
   24   1HG1  ILE   5          2HG1      ILE   5   8.039  -3.774  -2.985
   25   2HG1  ILE   5          1HG1      ILE   5   7.941  -2.790  -4.446
   26   1HG2  ILE   5          1HG2      ILE   5   5.445  -3.205  -5.909
   27   2HG2  ILE   5          2HG2      ILE   5   4.213  -3.299  -4.649
   28   3HG2  ILE   5          3HG2      ILE   5   5.413  -2.005  -4.618
   29   1HD1  ILE   5          1HD1      ILE   5   7.959  -1.604  -2.187
   30   2HD1  ILE   5          2HD1      ILE   5   6.747  -1.110  -3.370
   31   3HD1  ILE   5          3HD1      ILE   5   6.291  -2.160  -2.031
   32    H    LYS   6           H        LYS   6   2.916  -4.085  -2.849
   33    HA   LYS   6           HA       LYS   6   2.322  -6.758  -3.953
   34   1HB   LYS   6          1HB       LYS   6   0.999  -5.158  -1.801
   35   2HB   LYS   6          2HB       LYS   6   0.028  -6.245  -2.789
   36   1HG   LYS   6          1HG       LYS   6   0.869  -8.089  -1.821
   37   2HG   LYS   6          2HG       LYS   6   2.499  -7.421  -1.725
   38   1HD   LYS   6          1HD       LYS   6   1.198  -5.870   0.084
   39   2HD   LYS   6          2HD       LYS   6   0.317  -7.393   0.252
   40   1HE   LYS   6          2HE       LYS   6   2.625  -8.490   0.423
   41   2HE   LYS   6          1HE       LYS   6   3.245  -6.858   0.671
   42   1HZ   LYS   6          1HZ       LYS   6   2.659  -8.232   2.721
   43   2HZ   LYS   6          2HZ       LYS   6   1.040  -7.934   2.322
   44   3HZ   LYS   6          3HZ       LYS   6   2.079  -6.636   2.663
   45    HA   PRO   7           HA       PRO   7   0.420  -5.121  -7.476
   46   1HB   PRO   7          1HB       PRO   7  -2.115  -6.300  -7.380
   47   2HB   PRO   7          2HB       PRO   7  -0.663  -7.017  -8.083
   48   1HG   PRO   7          1HG       PRO   7  -1.895  -7.461  -5.408
   49   2HG   PRO   7          2HG       PRO   7  -1.048  -8.606  -6.460
   50   1HD   PRO   7          1HD       PRO   7   0.107  -7.580  -4.277
   51   2HD   PRO   7          2HD       PRO   7   1.037  -7.906  -5.753
   52    H    PHE   8           H        PHE   8  -1.125  -4.689  -4.452
   53    HA   PHE   8           HA       PHE   8  -2.476  -2.294  -5.479
   54   1HB   PHE   8          1HB       PHE   8  -3.473  -3.965  -3.165
   55   2HB   PHE   8          2HB       PHE   8  -4.304  -2.635  -3.969
   56    HD1  PHE   8           1HD      PHE   8  -3.451  -6.167  -4.097
   57    HD2  PHE   8           2HD      PHE   8  -5.275  -2.934  -6.179
   58    HE1  PHE   8           1HE      PHE   8  -4.545  -7.764  -5.619
   59    HE2  PHE   8           2HE      PHE   8  -6.367  -4.522  -7.705
   60    HZ   PHE   8           HZ       PHE   8  -5.993  -6.943  -7.435
   61    H    GLN   9           H        GLN   9  -1.312  -0.637  -4.779
   62    HA   GLN   9           HA       GLN   9  -0.199  -0.753  -2.064
   63   1HB   GLN   9          1HB       GLN   9   1.679  -1.104  -3.317
   64   2HB   GLN   9          2HB       GLN   9   1.074  -0.186  -4.689
   65   1HG   GLN   9          1HG       GLN   9   2.357   1.476  -4.051
   66   2HG   GLN   9          2HG       GLN   9   1.342   1.655  -2.630
   67   1HE2  GLN   9          1HE2      GLN   9   1.901   0.134  -0.818
   68   2HE2  GLN   9          2HE2      GLN   9   3.586  -0.076  -0.483
   69    H    CYS  10           H        CYS  10  -0.369   1.003  -0.831
   70    HA   CYS  10           HA       CYS  10  -2.070   3.169  -1.729
   71   1HB   CYS  10          1HB       CYS  10  -2.501   2.622   0.522
   72   2HB   CYS  10          2HB       CYS  10  -0.793   2.462   0.907
   73    HA   PRO  11           HA       PRO  11   1.457   5.671  -2.831
   74   1HB   PRO  11          1HB       PRO  11   0.121   7.717  -3.892
   75   2HB   PRO  11          2HB       PRO  11   0.178   6.147  -4.697
   76   1HG   PRO  11          1HG       PRO  11  -2.014   7.369  -3.084
   77   2HG   PRO  11          2HG       PRO  11  -2.120   6.391  -4.557
   78   1HD   PRO  11          1HD       PRO  11  -2.506   5.450  -1.969
   79   2HD   PRO  11          2HD       PRO  11  -2.130   4.443  -3.379
   80    H    ASP  12           H        ASP  12  -0.636   6.105  -0.285
   81    HA   ASP  12           HA       ASP  12   0.381   8.798   0.345
   82   1HB   ASP  12          1HB       ASP  12  -2.119   8.227   0.409
   83   2HB   ASP  12          2HB       ASP  12  -1.755   7.334   1.881
   84    H    CYS  13           H        CYS  13   0.104   5.547   1.753
   85    HA   CYS  13           HA       CYS  13   2.057   6.377   3.807
   86   1HB   CYS  13          1HB       CYS  13   0.387   3.906   4.063
   87   2HB   CYS  13          2HB       CYS  13   1.108   4.898   5.326
   88    H    ASP  14           H        ASP  14   1.681   4.550   1.039
   89    HA   ASP  14           HA       ASP  14   3.016   3.074  -0.063
   90   1HB   ASP  14          1HB       ASP  14   4.860   4.385   1.392
   91   2HB   ASP  14          2HB       ASP  14   5.002   2.792   2.127
   92    H    TRP  15           H        TRP  15   0.892   2.390   1.708
   93    HA   TRP  15           HA       TRP  15   1.622  -0.054   3.065
   94   1HB   TRP  15          1HB       TRP  15  -0.794   1.604   2.756
   95   2HB   TRP  15          2HB       TRP  15  -1.102  -0.126   2.849
   96    HD1  TRP  15           HD       TRP  15  -0.349   2.843   4.970
   97    HE1  TRP  15           1HE      TRP  15  -0.055   2.128   7.433
   98    HE3  TRP  15           3HE      TRP  15  -0.160  -2.216   4.311
   99    HZ2  TRP  15           2HZ      TRP  15   0.199  -0.277   8.889
  100    HZ3  TRP  15           3HZ      TRP  15   0.104  -3.659   6.286
  101    HH2  TRP  15           HH       TRP  15   0.280  -2.705   8.532
  102    H    SER  16           H        SER  16   1.356  -2.115   2.284
  103    HA   SER  16           HA       SER  16   0.500  -2.287  -0.530
  104   1HB   SER  16          1HB       SER  16   2.316  -4.364   0.557
  105   2HB   SER  16          2HB       SER  16   2.302  -3.599  -1.030
  106    HG   SER  16           HG       SER  16   4.101  -3.088   0.490
  107    H    PHE  17           H        PHE  17  -1.027  -3.675  -1.070
  108    HA   PHE  17           HA       PHE  17  -1.854  -5.716   0.879
  109   1HB   PHE  17          1HB       PHE  17  -3.738  -3.953  -0.711
  110   2HB   PHE  17          2HB       PHE  17  -4.195  -5.198   0.446
  111    HD1  PHE  17           1HD      PHE  17  -2.798  -1.836   0.032
  112    HD2  PHE  17           2HD      PHE  17  -4.082  -4.802   2.797
  113    HE1  PHE  17           1HE      PHE  17  -2.773  -0.158   1.831
  114    HE2  PHE  17           2HE      PHE  17  -4.055  -3.137   4.606
  115    HZ   PHE  17           HZ       PHE  17  -3.398  -0.813   4.125
  116    H    SER  18           H        SER  18  -2.431  -7.655   0.034
  117    HA   SER  18           HA       SER  18  -1.837  -8.109  -2.760
  118   1HB   SER  18          1HB       SER  18  -2.919 -10.165  -0.838
  119   2HB   SER  18          2HB       SER  18  -1.871 -10.411  -2.236
  120    HG   SER  18           HG       SER  18  -0.179  -9.967  -1.054
  121    H    ARG  19           H        ARG  19  -4.551  -7.297  -0.943
  122    HA   ARG  19           HA       ARG  19  -6.370  -8.182  -3.103
  123   1HB   ARG  19          1HB       ARG  19  -6.575  -8.396  -0.179
  124   2HB   ARG  19          2HB       ARG  19  -7.981  -7.653  -0.927
  125   1HG   ARG  19          1HG       ARG  19  -8.340  -9.576  -2.309
  126   2HG   ARG  19          2HG       ARG  19  -6.828 -10.305  -1.762
  127   1HD   ARG  19          1HD       ARG  19  -8.547 -11.374  -0.547
  128   2HD   ARG  19          2HD       ARG  19  -7.789 -10.241   0.571
  129    HE   ARG  19           HE       ARG  19  -9.700  -8.779   0.279
  130   1HH1  ARG  19          2HH1      ARG  19 -10.073 -12.050  -0.934
  131   2HH1  ARG  19          1HH1      ARG  19 -11.815 -11.984  -0.913
  132   1HH2  ARG  19          2HH2      ARG  19 -11.946  -8.700   0.333
  133   2HH2  ARG  19          1HH2      ARG  19 -12.888 -10.069  -0.188
  134    H    SER  20           H        SER  20  -7.496  -6.826  -4.065
  135    HA   SER  20           HA       SER  20  -6.961  -4.098  -3.975
  136   1HB   SER  20          1HB       SER  20  -9.076  -4.169  -5.478
  137   2HB   SER  20          2HB       SER  20  -7.626  -4.997  -5.999
  138    HG   SER  20           HG       SER  20  -9.365  -6.372  -6.256
  139    H    ASP  21           H        ASP  21  -9.532  -6.062  -2.614
  140    HA   ASP  21           HA       ASP  21 -11.190  -3.982  -1.681
  141   1HB   ASP  21          1HB       ASP  21 -12.452  -5.802  -1.352
  142   2HB   ASP  21          2HB       ASP  21 -11.057  -6.845  -1.556
  143    H    HIS  22           H        HIS  22  -8.402  -5.638  -0.303
  144    HA   HIS  22           HA       HIS  22  -8.636  -4.495   2.293
  145   1HB   HIS  22          1HB       HIS  22  -6.505  -5.963   0.812
  146   2HB   HIS  22          2HB       HIS  22  -6.046  -5.057   2.247
  147    HD1  HIS  22           1HD      HIS  22  -5.578  -7.053   3.758
  148    HD2  HIS  22           2HD      HIS  22  -9.373  -7.120   2.044
  149    HE1  HIS  22           1HE      HIS  22  -6.822  -8.902   4.930
  150    HE2  HIS  22           2HE      HIS  22  -9.083  -8.994   3.804
  151    H    LEU  23           H        LEU  23  -6.890  -3.601  -0.637
  152    HA   LEU  23           HA       LEU  23  -5.545  -1.363   0.447
  153   1HB   LEU  23          1HB       LEU  23  -4.832  -2.304  -1.665
  154   2HB   LEU  23          2HB       LEU  23  -6.397  -1.973  -2.386
  155    HG   LEU  23           HG       LEU  23  -5.916   0.491  -1.951
  156   1HD1  LEU  23          1HD1      LEU  23  -4.188   0.731  -0.531
  157   2HD1  LEU  23          2HD1      LEU  23  -3.394  -0.750  -1.068
  158   3HD1  LEU  23          3HD1      LEU  23  -3.260   0.720  -2.033
  159   1HD2  LEU  23          1HD2      LEU  23  -5.107   0.719  -4.062
  160   2HD2  LEU  23          2HD2      LEU  23  -3.872  -0.520  -3.844
  161   3HD2  LEU  23          3HD2      LEU  23  -5.549  -0.988  -4.127
  162    H    ALA  24           H        ALA  24  -8.647  -1.749  -1.210
  163    HA   ALA  24           HA       ALA  24  -9.331   0.994  -1.211
  164   1HB   ALA  24          1HB       ALA  24 -10.920  -1.540  -1.487
  165   2HB   ALA  24          2HB       ALA  24 -11.703   0.042  -1.471
  166   3HB   ALA  24          3HB       ALA  24 -10.518  -0.346  -2.721
  167    H    LEU  25           H        LEU  25  -9.738  -1.601   1.105
  168    HA   LEU  25           HA       LEU  25 -11.485  -0.251   2.887
  169   1HB   LEU  25          1HB       LEU  25 -10.318  -2.779   2.704
  170   2HB   LEU  25          2HB       LEU  25  -9.661  -2.102   4.182
  171    HG   LEU  25           HG       LEU  25 -11.931  -1.724   5.032
  172   1HD1  LEU  25          1HD1      LEU  25 -12.728  -1.760   2.444
  173   2HD1  LEU  25          2HD1      LEU  25 -13.200  -3.379   2.960
  174   3HD1  LEU  25          3HD1      LEU  25 -13.811  -1.966   3.820
  175   1HD2  LEU  25          1HD2      LEU  25 -12.537  -4.370   4.705
  176   2HD2  LEU  25          2HD2      LEU  25 -10.806  -4.340   4.365
  177   3HD2  LEU  25          3HD2      LEU  25 -11.414  -3.722   5.901
  178    H    HIS  26           H        HIS  26  -8.109  -0.060   2.264
  179    HA   HIS  26           HA       HIS  26  -7.556   1.327   4.768
  180   1HB   HIS  26          1HB       HIS  26  -5.826  -0.175   4.177
  181   2HB   HIS  26          2HB       HIS  26  -5.841   0.330   2.492
  182    HD1  HIS  26           1HD      HIS  26  -4.684   1.532   5.897
  183    HD2  HIS  26           2HD      HIS  26  -4.159   2.370   1.861
  184    HE1  HIS  26           1HE      HIS  26  -2.896   3.316   5.757
  185    H    ARG  27           H        ARG  27  -7.549   1.944   1.266
  186    HA   ARG  27           HA       ARG  27  -6.705   4.637   1.566
  187   1HB   ARG  27          1HB       ARG  27  -7.833   3.141  -0.792
  188   2HB   ARG  27          2HB       ARG  27  -7.220   4.774  -0.867
  189   1HG   ARG  27          1HG       ARG  27  -5.150   3.472   0.300
  190   2HG   ARG  27          2HG       ARG  27  -5.796   2.236  -0.769
  191   1HD   ARG  27          1HD       ARG  27  -3.972   3.901  -1.624
  192   2HD   ARG  27          2HD       ARG  27  -5.321   3.428  -2.664
  193    HE   ARG  27           HE       ARG  27  -4.981   6.015  -1.314
  194   1HH1  ARG  27          2HH1      ARG  27  -6.802   4.000  -3.541
  195   2HH1  ARG  27          1HH1      ARG  27  -7.556   5.352  -4.333
  196   1HH2  ARG  27          2HH2      ARG  27  -5.953   7.781  -2.371
  197   2HH2  ARG  27          1HH2      ARG  27  -7.067   7.501  -3.673
  198    H    LYS  28           H        LYS  28  -9.701   3.238   2.103
  199    HA   LYS  28           HA       LYS  28 -11.441   5.153   0.998
  200   1HB   LYS  28          1HB       LYS  28 -13.100   4.353   2.631
  201   2HB   LYS  28          2HB       LYS  28 -12.291   3.028   1.810
  202   1HG   LYS  28          1HG       LYS  28 -11.936   2.149   3.813
  203   2HG   LYS  28          2HG       LYS  28 -10.765   3.440   4.085
  204   1HD   LYS  28          1HD       LYS  28 -12.450   3.225   5.902
  205   2HD   LYS  28          2HD       LYS  28 -12.436   4.815   5.136
  206   1HE   LYS  28          2HE       LYS  28 -14.707   4.289   5.339
  207   2HE   LYS  28          1HE       LYS  28 -14.323   3.916   3.660
  208   1HZ   LYS  28          1HZ       LYS  28 -14.974   1.843   3.981
  209   2HZ   LYS  28          2HZ       LYS  28 -15.420   2.226   5.572
  210   3HZ   LYS  28          3HZ       LYS  28 -13.864   1.638   5.250
  211    H    ARG  29           H        ARG  29  -9.572   5.112   3.952
  212    HA   ARG  29           HA       ARG  29 -10.826   7.435   5.050
  213   1HB   ARG  29          1HB       ARG  29  -9.204   7.249   6.807
  214   2HB   ARG  29          2HB       ARG  29  -9.792   5.640   6.428
  215   1HG   ARG  29          1HG       ARG  29  -7.766   4.921   5.908
  216   2HG   ARG  29          2HG       ARG  29  -7.449   6.319   4.878
  217   1HD   ARG  29          1HD       ARG  29  -7.195   6.245   7.878
  218   2HD   ARG  29          2HD       ARG  29  -5.859   6.174   6.728
  219    HE   ARG  29           HE       ARG  29  -7.664   8.504   6.779
  220   1HH1  ARG  29          2HH1      ARG  29  -4.475   7.107   7.134
  221   2HH1  ARG  29          1HH1      ARG  29  -3.668   8.648   7.183
  222   1HH2  ARG  29          2HH2      ARG  29  -6.607  10.523   6.774
  223   2HH2  ARG  29          1HH2      ARG  29  -4.873  10.588   6.921
  224    H    HIS  30           H        HIS  30  -8.754   6.998   2.521
  225    HA   HIS  30           HA       HIS  30  -7.297   9.503   2.921
  226   1HB   HIS  30          1HB       HIS  30  -7.147   7.433   0.722
  227   2HB   HIS  30          2HB       HIS  30  -6.186   8.907   0.762
  228    HD1  HIS  30           1HD      HIS  30  -5.585   8.669   3.916
  229    HD2  HIS  30           2HD      HIS  30  -4.948   5.767   1.007
  230    HE1  HIS  30           1HE      HIS  30  -3.870   7.075   4.862
  231    H    MET  31           H        MET  31 -10.126   8.289   1.661
  232    HA   MET  31           HA       MET  31 -10.517  10.612  -0.107
  233   1HB   MET  31          1HB       MET  31 -12.547   8.429   0.104
  234   2HB   MET  31          2HB       MET  31 -12.165   9.467  -1.260
  235   1HG   MET  31          1HG       MET  31 -10.451   8.137  -1.973
  236   2HG   MET  31          2HG       MET  31 -10.127   7.502  -0.361
  237   1HE   MET  31          1HE       MET  31 -10.489   5.394  -3.155
  238   2HE   MET  31          2HE       MET  31  -9.674   5.411  -1.590
  239   3HE   MET  31          3HE       MET  31 -10.898   4.190  -1.934
  240    H    LEU  32           H        LEU  32 -11.737   8.864   2.675
  241    HA   LEU  32           HA       LEU  32 -13.098   9.417   4.391
  242   1HB   LEU  32          1HB       LEU  32 -12.185  12.094   3.459
  243   2HB   LEU  32          2HB       LEU  32 -13.529  12.026   4.584
  244    HG   LEU  32           HG       LEU  32 -11.274  10.372   5.417
  245   1HD1  LEU  32          1HD1      LEU  32  -9.720  11.859   4.679
  246   2HD1  LEU  32          2HD1      LEU  32 -10.846  13.215   4.687
  247   3HD1  LEU  32          3HD1      LEU  32 -10.148  12.640   6.202
  248   1HD2  LEU  32          1HD2      LEU  32 -12.718  10.678   7.129
  249   2HD2  LEU  32          2HD2      LEU  32 -11.716  12.100   7.413
  250   3HD2  LEU  32          3HD2      LEU  32 -13.246  12.258   6.550
  251    H    VAL  33           H        VAL  33 -14.353   8.476   2.250
  252    HA   VAL  33           HA       VAL  33 -16.753  10.159   1.999
  253    HB   VAL  33           HB       VAL  33 -17.238   8.761  -0.074
  254   1HG1  VAL  33          1HG1      VAL  33 -14.790  10.507  -0.238
  255   2HG1  VAL  33          2HG1      VAL  33 -15.978  10.205  -1.505
  256   3HG1  VAL  33          3HG1      VAL  33 -16.435  11.120  -0.067
  257   1HG2  VAL  33          1HG2      VAL  33 -15.270   7.154   0.667
  258   2HG2  VAL  33          2HG2      VAL  33 -15.673   7.400  -1.032
  259   3HG2  VAL  33          3HG2      VAL  33 -14.316   8.269  -0.312
  Start of MODEL    6
    1   1H    GLY   1          1H        GLY   1  14.890  -7.036  -4.806
    2   2H    GLY   1          2H        GLY   1  15.336  -8.545  -5.435
    3   3H    GLY   1          3H        GLY   1  16.530  -7.455  -4.917
    4   1HA   GLY   1          2HA       GLY   1  16.333  -9.088  -3.232
    5   2HA   GLY   1          1HA       GLY   1  15.588  -7.610  -2.635
    6    H    SER   2           H        SER   2  13.996  -8.292  -1.350
    7    HA   SER   2           HA       SER   2  12.248 -10.455  -2.245
    8   1HB   SER   2          1HB       SER   2  11.508  -9.268   0.284
    9   2HB   SER   2          2HB       SER   2  12.052 -10.914  -0.059
   10    HG   SER   2           HG       SER   2  13.407  -8.833   1.040
   11    H    THR   3           H        THR   3   9.972 -10.184  -2.371
   12    HA   THR   3           HA       THR   3   9.261  -7.674  -3.533
   13    HB   THR   3           HB       THR   3   7.031  -9.480  -3.036
   14    HG1  THR   3           1HG      THR   3   7.953 -11.127  -4.484
   15   1HG2  THR   3          1HG2      THR   3   8.365  -8.195  -5.396
   16   2HG2  THR   3          2HG2      THR   3   6.731  -7.961  -4.773
   17   3HG2  THR   3          3HG2      THR   3   7.142  -9.445  -5.629
   18    H    GLY   4           H        GLY   4   8.489  -5.983  -2.525
   19   1HA   GLY   4          1HA       GLY   4   7.030  -6.375   0.021
   20   2HA   GLY   4          2HA       GLY   4   8.037  -4.972  -0.326
   21    H    ILE   5           H        ILE   5   7.256  -4.577  -2.974
   22    HA   ILE   5           HA       ILE   5   4.844  -3.093  -2.631
   23    HB   ILE   5           HB       ILE   5   6.212  -3.818  -5.225
   24   1HG1  ILE   5          2HG1      ILE   5   7.798  -2.728  -3.710
   25   2HG1  ILE   5          1HG1      ILE   5   7.368  -1.652  -5.038
   26   1HG2  ILE   5          1HG2      ILE   5   5.108  -1.881  -6.152
   27   2HG2  ILE   5          2HG2      ILE   5   3.907  -2.955  -5.436
   28   3HG2  ILE   5          3HG2      ILE   5   4.401  -1.493  -4.583
   29   1HD1  ILE   5          1HD1      ILE   5   6.608  -1.492  -2.157
   30   2HD1  ILE   5          2HD1      ILE   5   7.333  -0.266  -3.195
   31   3HD1  ILE   5          3HD1      ILE   5   5.634  -0.695  -3.391
   32    H    LYS   6           H        LYS   6   2.812  -3.658  -3.018
   33    HA   LYS   6           HA       LYS   6   2.265  -6.317  -4.182
   34   1HB   LYS   6          1HB       LYS   6   1.086  -4.803  -1.933
   35   2HB   LYS   6          2HB       LYS   6  -0.039  -5.670  -2.972
   36   1HG   LYS   6          1HG       LYS   6   0.388  -7.313  -1.470
   37   2HG   LYS   6          2HG       LYS   6   1.698  -7.631  -2.608
   38   1HD   LYS   6          1HD       LYS   6   3.286  -6.541  -1.231
   39   2HD   LYS   6          2HD       LYS   6   2.025  -5.839  -0.213
   40   1HE   LYS   6          2HE       LYS   6   1.393  -8.179   0.444
   41   2HE   LYS   6          1HE       LYS   6   2.833  -8.734  -0.408
   42   1HZ   LYS   6          1HZ       LYS   6   4.228  -7.751   1.126
   43   2HZ   LYS   6          2HZ       LYS   6   2.961  -8.301   2.107
   44   3HZ   LYS   6          3HZ       LYS   6   3.052  -6.663   1.683
   45    HA   PRO   7           HA       PRO   7   0.155  -4.712  -7.619
   46   1HB   PRO   7          1HB       PRO   7  -2.303  -6.017  -7.450
   47   2HB   PRO   7          2HB       PRO   7  -0.839  -6.657  -8.201
   48   1HG   PRO   7          1HG       PRO   7  -1.980  -7.200  -5.507
   49   2HG   PRO   7          2HG       PRO   7  -1.091  -8.280  -6.593
   50   1HD   PRO   7          1HD       PRO   7   0.034  -7.190  -4.408
   51   2HD   PRO   7          2HD       PRO   7   0.956  -7.512  -5.885
   52    H    PHE   8           H        PHE   8  -1.506  -4.620  -4.572
   53    HA   PHE   8           HA       PHE   8  -2.909  -2.183  -5.423
   54   1HB   PHE   8          1HB       PHE   8  -3.735  -3.956  -3.124
   55   2HB   PHE   8          2HB       PHE   8  -4.673  -2.687  -3.907
   56    HD1  PHE   8           1HD      PHE   8  -5.698  -3.063  -6.077
   57    HD2  PHE   8           2HD      PHE   8  -3.555  -6.150  -4.076
   58    HE1  PHE   8           1HE      PHE   8  -6.716  -4.728  -7.571
   59    HE2  PHE   8           2HE      PHE   8  -4.588  -7.822  -5.557
   60    HZ   PHE   8           HZ       PHE   8  -6.156  -7.114  -7.318
   61    H    GLN   9           H        GLN   9  -1.550  -0.622  -4.793
   62    HA   GLN   9           HA       GLN   9  -0.388  -0.811  -2.102
   63   1HB   GLN   9          1HB       GLN   9   1.337  -1.293  -3.566
   64   2HB   GLN   9          2HB       GLN   9   0.790  -0.126  -4.758
   65   1HG   GLN   9          1HG       GLN   9   2.596   0.944  -3.928
   66   2HG   GLN   9          2HG       GLN   9   1.341   1.574  -2.866
   67   1HE2  GLN   9          1HE2      GLN   9   1.786   1.533  -0.819
   68   2HE2  GLN   9          2HE2      GLN   9   2.874   0.450  -0.021
   69    H    CYS  10           H        CYS  10  -0.679   0.829  -0.795
   70    HA   CYS  10           HA       CYS  10  -2.059   3.192  -1.623
   71   1HB   CYS  10          1HB       CYS  10  -2.628   2.852   0.542
   72   2HB   CYS  10          2HB       CYS  10  -1.151   1.994   0.920
   73    HA   PRO  11           HA       PRO  11   1.727   5.313  -2.578
   74   1HB   PRO  11          1HB       PRO  11   0.649   7.487  -3.665
   75   2HB   PRO  11          2HB       PRO  11   0.521   5.913  -4.456
   76   1HG   PRO  11          1HG       PRO  11  -1.525   7.415  -2.890
   77   2HG   PRO  11          2HG       PRO  11  -1.730   6.411  -4.336
   78   1HD   PRO  11          1HD       PRO  11  -2.210   5.611  -1.701
   79   2HD   PRO  11          2HD       PRO  11  -2.024   4.533  -3.097
   80    H    ASP  12           H        ASP  12  -0.356   5.991  -0.079
   81    HA   ASP  12           HA       ASP  12   0.861   8.595   0.511
   82   1HB   ASP  12          1HB       ASP  12  -1.636   8.303   0.557
   83   2HB   ASP  12          2HB       ASP  12  -1.428   7.273   1.972
   84    H    CYS  13           H        CYS  13   0.110   5.601   2.302
   85    HA   CYS  13           HA       CYS  13   2.220   6.291   4.225
   86   1HB   CYS  13          1HB       CYS  13   0.523   3.898   4.650
   87   2HB   CYS  13          2HB       CYS  13   1.098   5.087   5.809
   88    H    ASP  14           H        ASP  14   1.734   4.552   1.478
   89    HA   ASP  14           HA       ASP  14   2.889   2.961   0.358
   90   1HB   ASP  14          1HB       ASP  14   4.889   4.138   1.633
   91   2HB   ASP  14          2HB       ASP  14   4.912   2.620   2.529
   92    H    TRP  15           H        TRP  15   0.740   2.309   1.977
   93    HA   TRP  15           HA       TRP  15   1.396  -0.197   3.309
   94   1HB   TRP  15          1HB       TRP  15  -0.987   1.538   3.079
   95   2HB   TRP  15          2HB       TRP  15  -1.284  -0.179   3.276
   96    HD1  TRP  15           HD       TRP  15  -0.376   2.892   5.201
   97    HE1  TRP  15           1HE      TRP  15   0.026   2.301   7.680
   98    HE3  TRP  15           3HE      TRP  15  -0.310  -2.201   4.796
   99    HZ2  TRP  15           2HZ      TRP  15   0.321  -0.038   9.244
  100    HZ3  TRP  15           3HZ      TRP  15   0.035  -3.541   6.826
  101    HH2  TRP  15           HH       TRP  15   0.348  -2.483   9.001
  102    H    SER  16           H        SER  16   1.648  -1.937   2.144
  103    HA   SER  16           HA       SER  16   0.443  -2.085  -0.510
  104   1HB   SER  16          1HB       SER  16   2.176  -4.259  -0.172
  105   2HB   SER  16          2HB       SER  16   2.524  -2.755  -1.026
  106    HG   SER  16           HG       SER  16   3.871  -2.271   0.502
  107    H    PHE  17           H        PHE  17  -1.085  -3.524  -1.049
  108    HA   PHE  17           HA       PHE  17  -1.724  -5.673   0.865
  109   1HB   PHE  17          1HB       PHE  17  -3.729  -3.944  -0.607
  110   2HB   PHE  17          2HB       PHE  17  -4.112  -5.276   0.478
  111    HD1  PHE  17           1HD      PHE  17  -2.772  -1.859   0.279
  112    HD2  PHE  17           2HD      PHE  17  -4.118  -4.982   2.838
  113    HE1  PHE  17           1HE      PHE  17  -2.804  -0.286   2.162
  114    HE2  PHE  17           2HE      PHE  17  -4.156  -3.411   4.732
  115    HZ   PHE  17           HZ       PHE  17  -3.507  -1.062   4.394
  116    H    SER  18           H        SER  18  -2.321  -7.620  -0.027
  117    HA   SER  18           HA       SER  18  -1.806  -7.925  -2.876
  118   1HB   SER  18          1HB       SER  18  -2.609 -10.132  -0.976
  119   2HB   SER  18          2HB       SER  18  -1.675 -10.251  -2.467
  120    HG   SER  18           HG       SER  18  -0.880  -9.423   0.089
  121    H    ARG  19           H        ARG  19  -4.425  -7.238  -0.944
  122    HA   ARG  19           HA       ARG  19  -6.317  -8.273  -2.968
  123   1HB   ARG  19          1HB       ARG  19  -6.398  -8.380  -0.012
  124   2HB   ARG  19          2HB       ARG  19  -7.887  -7.858  -0.783
  125   1HG   ARG  19          1HG       ARG  19  -8.107  -9.880  -1.970
  126   2HG   ARG  19          2HG       ARG  19  -6.454 -10.366  -1.593
  127   1HD   ARG  19          1HD       ARG  19  -8.052 -11.602  -0.241
  128   2HD   ARG  19          2HD       ARG  19  -7.048 -10.563   0.767
  129    HE   ARG  19           HE       ARG  19  -9.350  -9.127   0.166
  130   1HH1  ARG  19          2HH1      ARG  19  -8.482 -12.045   1.891
  131   2HH1  ARG  19          1HH1      ARG  19  -9.820 -11.940   3.000
  132   1HH2  ARG  19          2HH2      ARG  19 -11.067  -8.947   1.643
  133   2HH2  ARG  19          1HH2      ARG  19 -11.297 -10.192   2.842
  134    H    SER  20           H        SER  20  -7.542  -6.991  -3.900
  135    HA   SER  20           HA       SER  20  -7.163  -4.244  -3.928
  136   1HB   SER  20          1HB       SER  20  -9.353  -4.441  -5.263
  137   2HB   SER  20          2HB       SER  20  -7.957  -5.319  -5.850
  138    HG   SER  20           HG       SER  20 -10.129  -6.439  -5.621
  139    H    ASP  21           H        ASP  21  -9.682  -6.246  -2.504
  140    HA   ASP  21           HA       ASP  21 -11.299  -4.197  -1.480
  141   1HB   ASP  21          1HB       ASP  21 -12.534  -6.069  -1.262
  142   2HB   ASP  21          2HB       ASP  21 -11.106  -7.095  -1.303
  143    H    HIS  22           H        HIS  22  -8.409  -5.729  -0.232
  144    HA   HIS  22           HA       HIS  22  -8.669  -4.647   2.408
  145   1HB   HIS  22          1HB       HIS  22  -6.603  -6.163   0.916
  146   2HB   HIS  22          2HB       HIS  22  -6.046  -5.189   2.272
  147    HD1  HIS  22           1HD      HIS  22  -5.549  -7.050   3.909
  148    HD2  HIS  22           2HD      HIS  22  -9.391  -7.263   2.314
  149    HE1  HIS  22           1HE      HIS  22  -6.753  -8.791   5.268
  150    HE2  HIS  22           2HE      HIS  22  -9.104  -8.832   4.365
  151    H    LEU  23           H        LEU  23  -6.933  -3.686  -0.534
  152    HA   LEU  23           HA       LEU  23  -5.660  -1.453   0.674
  153   1HB   LEU  23          1HB       LEU  23  -4.739  -2.310  -1.358
  154   2HB   LEU  23          2HB       LEU  23  -6.252  -2.093  -2.205
  155    HG   LEU  23           HG       LEU  23  -5.935   0.419  -1.662
  156   1HD1  LEU  23          1HD1      LEU  23  -3.068   0.098  -1.843
  157   2HD1  LEU  23          2HD1      LEU  23  -4.028   1.096  -0.749
  158   3HD1  LEU  23          3HD1      LEU  23  -3.725  -0.597  -0.360
  159   1HD2  LEU  23          1HD2      LEU  23  -3.931   0.067  -3.610
  160   2HD2  LEU  23          2HD2      LEU  23  -5.083  -1.252  -3.811
  161   3HD2  LEU  23          3HD2      LEU  23  -5.642   0.419  -3.859
  162    H    ALA  24           H        ALA  24  -8.689  -1.914  -1.092
  163    HA   ALA  24           HA       ALA  24  -9.421   0.814  -1.168
  164   1HB   ALA  24          1HB       ALA  24 -11.291   0.083  -2.189
  165   2HB   ALA  24          2HB       ALA  24 -10.454  -1.470  -2.216
  166   3HB   ALA  24          3HB       ALA  24 -11.619  -1.119  -0.940
  167    H    LEU  25           H        LEU  25  -9.702  -1.697   1.232
  168    HA   LEU  25           HA       LEU  25 -11.475  -0.364   3.011
  169   1HB   LEU  25          1HB       LEU  25  -9.740  -2.728   3.047
  170   2HB   LEU  25          2HB       LEU  25  -9.870  -1.934   4.602
  171    HG   LEU  25           HG       LEU  25 -12.300  -2.732   3.022
  172   1HD1  LEU  25          1HD1      LEU  25 -12.261  -4.852   3.821
  173   2HD1  LEU  25          2HD1      LEU  25 -10.520  -4.578   3.753
  174   3HD1  LEU  25          3HD1      LEU  25 -11.381  -4.404   5.283
  175   1HD2  LEU  25          1HD2      LEU  25 -12.363  -2.739   5.937
  176   2HD2  LEU  25          2HD2      LEU  25 -12.003  -1.157   5.246
  177   3HD2  LEU  25          3HD2      LEU  25 -13.474  -2.007   4.779
  178    H    HIS  26           H        HIS  26  -8.080  -0.163   2.342
  179    HA   HIS  26           HA       HIS  26  -7.527   1.338   4.764
  180   1HB   HIS  26          1HB       HIS  26  -5.813  -0.196   4.141
  181   2HB   HIS  26          2HB       HIS  26  -5.813   0.367   2.474
  182    HD1  HIS  26           1HD      HIS  26  -4.825   1.588   5.939
  183    HD2  HIS  26           2HD      HIS  26  -4.023   2.282   1.920
  184    HE1  HIS  26           1HE      HIS  26  -3.029   3.370   5.869
  185    H    ARG  27           H        ARG  27  -7.522   1.875   1.241
  186    HA   ARG  27           HA       ARG  27  -6.855   4.651   1.569
  187   1HB   ARG  27          1HB       ARG  27  -7.799   3.279  -0.944
  188   2HB   ARG  27          2HB       ARG  27  -6.973   4.818  -0.830
  189   1HG   ARG  27          1HG       ARG  27  -5.229   3.126   0.420
  190   2HG   ARG  27          2HG       ARG  27  -5.904   2.110  -0.852
  191   1HD   ARG  27          1HD       ARG  27  -3.802   3.761  -1.208
  192   2HD   ARG  27          2HD       ARG  27  -4.919   3.289  -2.498
  193    HE   ARG  27           HE       ARG  27  -5.052   5.818  -0.993
  194   1HH1  ARG  27          2HH1      ARG  27  -5.694   3.981  -3.906
  195   2HH1  ARG  27          1HH1      ARG  27  -6.217   5.376  -4.806
  196   1HH2  ARG  27          2HH2      ARG  27  -5.683   7.638  -2.186
  197   2HH2  ARG  27          1HH2      ARG  27  -6.231   7.449  -3.820
  198    H    LYS  28           H        LYS  28  -9.518   3.356   2.513
  199    HA   LYS  28           HA       LYS  28 -11.566   4.822   1.196
  200   1HB   LYS  28          1HB       LYS  28 -12.967   4.239   3.089
  201   2HB   LYS  28          2HB       LYS  28 -12.040   2.836   2.583
  202   1HG   LYS  28          1HG       LYS  28 -11.261   2.592   4.638
  203   2HG   LYS  28          2HG       LYS  28 -10.562   4.212   4.590
  204   1HD   LYS  28          1HD       LYS  28 -11.997   4.710   6.233
  205   2HD   LYS  28          2HD       LYS  28 -13.243   4.705   4.983
  206   1HE   LYS  28          2HE       LYS  28 -12.726   2.020   5.834
  207   2HE   LYS  28          1HE       LYS  28 -13.034   3.030   7.243
  208   1HZ   LYS  28          1HZ       LYS  28 -14.799   2.640   4.887
  209   2HZ   LYS  28          2HZ       LYS  28 -15.073   3.819   6.075
  210   3HZ   LYS  28          3HZ       LYS  28 -15.096   2.173   6.491
  211    H    ARG  29           H        ARG  29  -9.292   5.470   3.722
  212    HA   ARG  29           HA       ARG  29 -10.456   8.068   4.293
  213   1HB   ARG  29          1HB       ARG  29  -8.803   8.221   6.071
  214   2HB   ARG  29          2HB       ARG  29  -9.699   6.716   6.191
  215   1HG   ARG  29          1HG       ARG  29  -7.700   5.764   6.419
  216   2HG   ARG  29          2HG       ARG  29  -7.557   5.977   4.673
  217   1HD   ARG  29          1HD       ARG  29  -5.580   6.877   5.534
  218   2HD   ARG  29          2HD       ARG  29  -6.596   8.282   5.211
  219    HE   ARG  29           HE       ARG  29  -6.839   7.303   7.897
  220   1HH1  ARG  29          2HH1      ARG  29  -5.073   9.444   5.758
  221   2HH1  ARG  29          1HH1      ARG  29  -4.347  10.349   7.049
  222   1HH2  ARG  29          2HH2      ARG  29  -5.882   8.493   9.602
  223   2HH2  ARG  29          1HH2      ARG  29  -4.792   9.799   9.242
  224    H    HIS  30           H        HIS  30  -8.916   7.054   1.801
  225    HA   HIS  30           HA       HIS  30  -6.961   9.262   1.704
  226   1HB   HIS  30          1HB       HIS  30  -6.992   6.583   0.320
  227   2HB   HIS  30          2HB       HIS  30  -6.003   7.915  -0.261
  228    HD1  HIS  30           1HD      HIS  30  -5.348   8.737   2.900
  229    HD2  HIS  30           2HD      HIS  30  -4.632   5.173   0.873
  230    HE1  HIS  30           1HE      HIS  30  -3.501   7.544   4.158
  231    H    MET  31           H        MET  31  -9.889   9.232   1.218
  232    HA   MET  31           HA       MET  31 -10.018   9.782  -1.661
  233   1HB   MET  31          1HB       MET  31 -12.114   9.308   0.450
  234   2HB   MET  31          2HB       MET  31 -12.527  10.010  -1.109
  235   1HG   MET  31          1HG       MET  31 -10.951   7.721  -1.606
  236   2HG   MET  31          2HG       MET  31 -12.171   7.277  -0.411
  237   1HE   MET  31          1HE       MET  31 -13.848   5.856  -3.571
  238   2HE   MET  31          2HE       MET  31 -12.091   5.964  -3.457
  239   3HE   MET  31          3HE       MET  31 -13.039   5.531  -2.037
  240    H    LEU  32           H        LEU  32  -9.603  11.325   1.275
  241    HA   LEU  32           HA       LEU  32 -10.846  13.837   0.583
  242   1HB   LEU  32          1HB       LEU  32  -9.810  12.620   2.933
  243   2HB   LEU  32          2HB       LEU  32  -8.909  14.102   2.672
  244    HG   LEU  32           HG       LEU  32 -11.369  15.084   2.353
  245   1HD1  LEU  32          1HD1      LEU  32 -13.056  13.944   3.305
  246   2HD1  LEU  32          2HD1      LEU  32 -12.036  12.542   2.978
  247   3HD1  LEU  32          3HD1      LEU  32 -12.028  13.285   4.578
  248   1HD2  LEU  32          1HD2      LEU  32 -10.486  14.589   5.157
  249   2HD2  LEU  32          2HD2      LEU  32  -9.454  15.525   4.076
  250   3HD2  LEU  32          3HD2      LEU  32 -11.099  16.067   4.415
  251    H    VAL  33           H        VAL  33  -9.533  13.611  -1.522
  252    HA   VAL  33           HA       VAL  33  -6.939  14.968  -1.182
  253    HB   VAL  33           HB       VAL  33  -6.645  14.063  -3.652
  254   1HG1  VAL  33          1HG1      VAL  33  -5.251  12.383  -2.816
  255   2HG1  VAL  33          2HG1      VAL  33  -5.322  13.573  -1.519
  256   3HG1  VAL  33          3HG1      VAL  33  -6.279  12.095  -1.413
  257   1HG2  VAL  33          1HG2      VAL  33  -8.996  13.042  -3.507
  258   2HG2  VAL  33          2HG2      VAL  33  -7.701  12.036  -4.156
  259   3HG2  VAL  33          3HG2      VAL  33  -8.251  11.802  -2.497
  Start of MODEL    7
    1   1H    GLY   1          1H        GLY   1  11.345   1.009   5.565
    2   2H    GLY   1          2H        GLY   1  11.758   1.285   7.182
    3   3H    GLY   1          3H        GLY   1  10.306   0.499   6.805
    4   1HA   GLY   1          2HA       GLY   1  12.964  -0.562   7.048
    5   2HA   GLY   1          1HA       GLY   1  11.415  -1.386   7.157
    6    H    SER   2           H        SER   2  12.003  -3.129   5.889
    7    HA   SER   2           HA       SER   2  13.110  -2.753   3.255
    8   1HB   SER   2          1HB       SER   2  11.896  -5.356   3.781
    9   2HB   SER   2          2HB       SER   2  13.571  -4.953   3.406
   10    HG   SER   2           HG       SER   2  13.756  -4.271   5.653
   11    H    THR   3           H        THR   3  12.031  -2.606   1.374
   12    HA   THR   3           HA       THR   3   9.215  -2.085   1.489
   13    HB   THR   3           HB       THR   3  10.523  -2.311  -1.152
   14    HG1  THR   3           1HG      THR   3  11.304  -0.313   0.749
   15   1HG2  THR   3          1HG2      THR   3   9.535   0.077  -1.218
   16   2HG2  THR   3          2HG2      THR   3   8.741  -0.372   0.292
   17   3HG2  THR   3          3HG2      THR   3   8.420  -1.290  -1.180
   18    H    GLY   4           H        GLY   4   7.548  -3.204   0.552
   19   1HA   GLY   4          1HA       GLY   4   8.132  -5.755  -0.765
   20   2HA   GLY   4          2HA       GLY   4   7.115  -5.769   0.671
   21    H    ILE   5           H        ILE   5   7.428  -4.447  -2.566
   22    HA   ILE   5           HA       ILE   5   4.945  -3.193  -2.710
   23    HB   ILE   5           HB       ILE   5   7.099  -3.816  -4.540
   24   1HG1  ILE   5          2HG1      ILE   5   6.192  -1.670  -5.592
   25   2HG1  ILE   5          1HG1      ILE   5   4.987  -1.674  -4.304
   26   1HG2  ILE   5          1HG2      ILE   5   5.708  -5.147  -5.856
   27   2HG2  ILE   5          2HG2      ILE   5   4.302  -4.121  -5.568
   28   3HG2  ILE   5          3HG2      ILE   5   5.610  -3.553  -6.606
   29   1HD1  ILE   5          1HD1      ILE   5   7.668  -0.720  -4.257
   30   2HD1  ILE   5          2HD1      ILE   5   6.428  -0.622  -3.007
   31   3HD1  ILE   5          3HD1      ILE   5   7.500  -2.020  -3.078
   32    H    LYS   6           H        LYS   6   2.955  -3.771  -3.300
   33    HA   LYS   6           HA       LYS   6   2.423  -6.593  -3.991
   34   1HB   LYS   6          1HB       LYS   6   1.057  -4.807  -1.996
   35   2HB   LYS   6          2HB       LYS   6   0.192  -6.133  -2.762
   36   1HG   LYS   6          1HG       LYS   6   2.666  -6.346  -1.055
   37   2HG   LYS   6          2HG       LYS   6   1.030  -6.836  -0.620
   38   1HD   LYS   6          1HD       LYS   6   1.245  -8.808  -1.647
   39   2HD   LYS   6          2HD       LYS   6   1.909  -8.056  -3.101
   40   1HE   LYS   6          2HE       LYS   6   4.088  -7.849  -1.781
   41   2HE   LYS   6          1HE       LYS   6   3.361  -8.971  -0.632
   42   1HZ   LYS   6          1HZ       LYS   6   2.984 -10.074  -3.142
   43   2HZ   LYS   6          2HZ       LYS   6   4.055 -10.604  -1.937
   44   3HZ   LYS   6          3HZ       LYS   6   4.586  -9.517  -3.125
   45    HA   PRO   7           HA       PRO   7   0.267  -5.308  -7.543
   46   1HB   PRO   7          1HB       PRO   7  -2.223  -6.542  -7.160
   47   2HB   PRO   7          2HB       PRO   7  -0.812  -7.255  -7.944
   48   1HG   PRO   7          1HG       PRO   7  -1.820  -7.606  -5.173
   49   2HG   PRO   7          2HG       PRO   7  -0.965  -8.753  -6.215
   50   1HD   PRO   7          1HD       PRO   7   0.234  -7.521  -4.154
   51   2HD   PRO   7          2HD       PRO   7   1.104  -7.929  -5.642
   52    H    PHE   8           H        PHE   8  -1.122  -4.716  -4.463
   53    HA   PHE   8           HA       PHE   8  -2.486  -2.343  -5.521
   54   1HB   PHE   8          1HB       PHE   8  -3.498  -3.947  -3.165
   55   2HB   PHE   8          2HB       PHE   8  -4.316  -2.632  -4.004
   56    HD1  PHE   8           1HD      PHE   8  -5.481  -3.007  -6.063
   57    HD2  PHE   8           2HD      PHE   8  -3.359  -6.168  -4.160
   58    HE1  PHE   8           1HE      PHE   8  -6.626  -4.637  -7.507
   59    HE2  PHE   8           2HE      PHE   8  -4.507  -7.802  -5.600
   60    HZ   PHE   8           HZ       PHE   8  -6.128  -7.038  -7.285
   61    H    GLN   9           H        GLN   9  -1.520  -0.579  -4.698
   62    HA   GLN   9           HA       GLN   9  -0.293  -0.792  -2.031
   63   1HB   GLN   9          1HB       GLN   9   0.956  -0.167  -4.644
   64   2HB   GLN   9          2HB       GLN   9   1.469   0.812  -3.279
   65   1HG   GLN   9          1HG       GLN   9   1.394  -2.042  -2.703
   66   2HG   GLN   9          2HG       GLN   9   2.506  -1.612  -3.999
   67   1HE2  GLN   9          1HE2      GLN   9   1.782   0.635  -1.450
   68   2HE2  GLN   9          2HE2      GLN   9   3.309   0.527  -0.652
   69    H    CYS  10           H        CYS  10  -0.481   0.929  -0.742
   70    HA   CYS  10           HA       CYS  10  -2.150   3.142  -1.554
   71   1HB   CYS  10          1HB       CYS  10  -2.562   2.658   0.674
   72   2HB   CYS  10          2HB       CYS  10  -0.897   2.200   0.995
   73    HA   PRO  11           HA       PRO  11   1.440   5.532  -2.681
   74   1HB   PRO  11          1HB       PRO  11   0.193   7.659  -3.673
   75   2HB   PRO  11          2HB       PRO  11   0.117   6.096  -4.489
   76   1HG   PRO  11          1HG       PRO  11  -1.930   7.452  -2.801
   77   2HG   PRO  11          2HG       PRO  11  -2.150   6.459  -4.252
   78   1HD   PRO  11          1HD       PRO  11  -2.461   5.595  -1.610
   79   2HD   PRO  11          2HD       PRO  11  -2.272   4.546  -3.028
   80    H    ASP  12           H        ASP  12  -0.595   6.128  -0.093
   81    HA   ASP  12           HA       ASP  12   0.614   8.728   0.545
   82   1HB   ASP  12          1HB       ASP  12  -1.815   8.587   0.737
   83   2HB   ASP  12          2HB       ASP  12  -1.665   7.258   1.882
   84    H    CYS  13           H        CYS  13   0.008   5.602   2.168
   85    HA   CYS  13           HA       CYS  13   2.161   6.239   4.068
   86   1HB   CYS  13          1HB       CYS  13   0.515   3.759   4.301
   87   2HB   CYS  13          2HB       CYS  13   1.204   4.764   5.569
   88    H    ASP  14           H        ASP  14   1.533   4.527   1.264
   89    HA   ASP  14           HA       ASP  14   2.763   3.113  -0.026
   90   1HB   ASP  14          1HB       ASP  14   4.769   4.333   1.178
   91   2HB   ASP  14          2HB       ASP  14   4.922   2.790   2.016
   92    H    TRP  15           H        TRP  15   0.800   2.364   1.873
   93    HA   TRP  15           HA       TRP  15   1.551  -0.097   3.145
   94   1HB   TRP  15          1HB       TRP  15  -0.860   1.543   2.869
   95   2HB   TRP  15          2HB       TRP  15  -1.186  -0.185   2.858
   96    HD1  TRP  15           HD       TRP  15  -0.402   2.653   5.153
   97    HE1  TRP  15           1HE      TRP  15  -0.193   1.791   7.574
   98    HE3  TRP  15           3HE      TRP  15  -0.327  -2.374   4.222
   99    HZ2  TRP  15           2HZ      TRP  15  -0.033  -0.688   8.906
  100    HZ3  TRP  15           3HZ      TRP  15  -0.145  -3.923   6.127
  101    HH2  TRP  15           HH       TRP  15  -0.002  -3.097   8.418
  102    H    SER  16           H        SER  16   1.363  -2.146   2.354
  103    HA   SER  16           HA       SER  16   0.576  -2.326  -0.472
  104   1HB   SER  16          1HB       SER  16   2.231  -4.525   0.418
  105   2HB   SER  16          2HB       SER  16   2.528  -3.364  -0.875
  106    HG   SER  16           HG       SER  16   3.898  -2.404   0.380
  107    H    PHE  17           H        PHE  17  -0.908  -3.741  -1.091
  108    HA   PHE  17           HA       PHE  17  -1.836  -5.763   0.833
  109   1HB   PHE  17          1HB       PHE  17  -3.637  -3.987  -0.831
  110   2HB   PHE  17          2HB       PHE  17  -4.154  -5.220   0.313
  111    HD1  PHE  17           1HD      PHE  17  -4.047  -4.826   2.689
  112    HD2  PHE  17           2HD      PHE  17  -2.785  -1.853  -0.080
  113    HE1  PHE  17           1HE      PHE  17  -4.079  -3.149   4.486
  114    HE2  PHE  17           2HE      PHE  17  -2.815  -0.168   1.713
  115    HZ   PHE  17           HZ       PHE  17  -3.460  -0.819   3.999
  116    H    SER  18           H        SER  18  -2.354  -7.705  -0.058
  117    HA   SER  18           HA       SER  18  -1.753  -8.084  -2.867
  118   1HB   SER  18          1HB       SER  18  -2.719 -10.489  -1.734
  119   2HB   SER  18          2HB       SER  18  -1.040 -10.053  -2.057
  120    HG   SER  18           HG       SER  18  -1.870 -10.591   0.232
  121    H    ARG  19           H        ARG  19  -4.410  -7.290  -1.025
  122    HA   ARG  19           HA       ARG  19  -6.295  -8.257  -3.087
  123   1HB   ARG  19          1HB       ARG  19  -6.474  -8.283  -0.113
  124   2HB   ARG  19          2HB       ARG  19  -7.938  -7.912  -1.013
  125   1HG   ARG  19          1HG       ARG  19  -6.635 -10.188  -2.158
  126   2HG   ARG  19          2HG       ARG  19  -6.875 -10.432  -0.429
  127   1HD   ARG  19          1HD       ARG  19  -8.941  -9.845  -2.533
  128   2HD   ARG  19          2HD       ARG  19  -8.809 -11.271  -1.506
  129    HE   ARG  19           HE       ARG  19  -9.286  -8.711  -0.192
  130   1HH1  ARG  19          2HH1      ARG  19 -10.517 -11.818  -1.231
  131   2HH1  ARG  19          1HH1      ARG  19 -12.016 -11.643  -0.360
  132   1HH2  ARG  19          2HH2      ARG  19 -11.233  -8.515   1.000
  133   2HH2  ARG  19          1HH2      ARG  19 -12.405  -9.803   0.911
  134    H    SER  20           H        SER  20  -7.515  -6.968  -4.000
  135    HA   SER  20           HA       SER  20  -7.102  -4.230  -4.013
  136   1HB   SER  20          1HB       SER  20  -9.321  -4.383  -5.314
  137   2HB   SER  20          2HB       SER  20  -7.924  -5.235  -5.937
  138    HG   SER  20           HG       SER  20  -9.400  -6.776  -5.979
  139    H    ASP  21           H        ASP  21  -9.664  -6.172  -2.527
  140    HA   ASP  21           HA       ASP  21 -11.249  -4.074  -1.548
  141   1HB   ASP  21          1HB       ASP  21 -12.437  -5.988  -1.281
  142   2HB   ASP  21          2HB       ASP  21 -10.988  -6.969  -1.094
  143    H    HIS  22           H        HIS  22  -8.404  -5.658  -0.213
  144    HA   HIS  22           HA       HIS  22  -8.575  -4.492   2.373
  145   1HB   HIS  22          1HB       HIS  22  -6.547  -5.990   0.835
  146   2HB   HIS  22          2HB       HIS  22  -5.925  -4.950   2.109
  147    HD1  HIS  22           1HD      HIS  22  -5.316  -6.595   3.898
  148    HD2  HIS  22           2HD      HIS  22  -9.142  -7.230   2.373
  149    HE1  HIS  22           1HE      HIS  22  -6.329  -8.407   5.321
  150    HE2  HIS  22           2HE      HIS  22  -8.631  -8.801   4.369
  151    H    LEU  23           H        LEU  23  -6.901  -3.587  -0.613
  152    HA   LEU  23           HA       LEU  23  -5.625  -1.290   0.428
  153   1HB   LEU  23          1HB       LEU  23  -4.929  -2.284  -1.683
  154   2HB   LEU  23          2HB       LEU  23  -6.495  -1.931  -2.390
  155    HG   LEU  23           HG       LEU  23  -5.989   0.520  -1.988
  156   1HD1  LEU  23          1HD1      LEU  23  -4.284   0.432  -0.375
  157   2HD1  LEU  23          2HD1      LEU  23  -3.308  -0.660  -1.358
  158   3HD1  LEU  23          3HD1      LEU  23  -3.526   1.018  -1.857
  159   1HD2  LEU  23          1HD2      LEU  23  -5.797  -0.638  -4.191
  160   2HD2  LEU  23          2HD2      LEU  23  -4.721   0.746  -4.002
  161   3HD2  LEU  23          3HD2      LEU  23  -4.086  -0.892  -3.845
  162    H    ALA  24           H        ALA  24  -8.705  -1.785  -1.248
  163    HA   ALA  24           HA       ALA  24  -9.500   0.912  -1.289
  164   1HB   ALA  24          1HB       ALA  24 -11.675  -1.022  -1.030
  165   2HB   ALA  24          2HB       ALA  24 -11.330   0.133  -2.318
  166   3HB   ALA  24          3HB       ALA  24 -10.501  -1.424  -2.283
  167    H    LEU  25           H        LEU  25  -9.832  -1.608   1.143
  168    HA   LEU  25           HA       LEU  25 -11.623  -0.166   2.829
  169   1HB   LEU  25          1HB       LEU  25 -11.739  -2.298   3.521
  170   2HB   LEU  25          2HB       LEU  25 -10.147  -2.681   2.905
  171    HG   LEU  25           HG       LEU  25  -9.703  -1.115   5.192
  172   1HD1  LEU  25          1HD1      LEU  25 -11.627  -1.354   6.337
  173   2HD1  LEU  25          2HD1      LEU  25 -12.138  -2.756   5.398
  174   3HD1  LEU  25          3HD1      LEU  25 -10.973  -2.949   6.707
  175   1HD2  LEU  25          1HD2      LEU  25  -9.359  -3.944   4.359
  176   2HD2  LEU  25          2HD2      LEU  25  -8.152  -2.747   4.829
  177   3HD2  LEU  25          3HD2      LEU  25  -9.129  -3.546   6.061
  178    H    HIS  26           H        HIS  26  -8.213  -0.126   2.327
  179    HA   HIS  26           HA       HIS  26  -7.669   1.322   4.780
  180   1HB   HIS  26          1HB       HIS  26  -5.954  -0.202   4.137
  181   2HB   HIS  26          2HB       HIS  26  -5.955   0.383   2.477
  182    HD1  HIS  26           1HD      HIS  26  -4.994   1.607   5.951
  183    HD2  HIS  26           2HD      HIS  26  -4.128   2.292   1.946
  184    HE1  HIS  26           1HE      HIS  26  -3.080   3.259   5.904
  185    H    ARG  27           H        ARG  27  -7.687   1.909   1.288
  186    HA   ARG  27           HA       ARG  27  -6.897   4.641   1.540
  187   1HB   ARG  27          1HB       ARG  27  -8.004   3.094  -0.802
  188   2HB   ARG  27          2HB       ARG  27  -7.384   4.737  -0.902
  189   1HG   ARG  27          1HG       ARG  27  -5.374   3.293   0.363
  190   2HG   ARG  27          2HG       ARG  27  -5.968   2.225  -0.902
  191   1HD   ARG  27          1HD       ARG  27  -4.074   4.111  -1.281
  192   2HD   ARG  27          2HD       ARG  27  -5.147   3.507  -2.549
  193    HE   ARG  27           HE       ARG  27  -6.007   5.854  -1.037
  194   1HH1  ARG  27          2HH1      ARG  27  -4.647   4.538  -3.986
  195   2HH1  ARG  27          1HH1      ARG  27  -4.984   5.964  -4.925
  196   1HH2  ARG  27          2HH2      ARG  27  -6.451   7.734  -2.277
  197   2HH2  ARG  27          1HH2      ARG  27  -5.993   7.783  -3.951
  198    H    LYS  28           H        LYS  28  -9.683   3.373   2.496
  199    HA   LYS  28           HA       LYS  28 -11.627   5.075   1.326
  200   1HB   LYS  28          1HB       LYS  28 -13.067   4.408   3.167
  201   2HB   LYS  28          2HB       LYS  28 -12.215   3.006   2.535
  202   1HG   LYS  28          1HG       LYS  28 -10.996   2.715   4.434
  203   2HG   LYS  28          2HG       LYS  28 -10.996   4.434   4.831
  204   1HD   LYS  28          1HD       LYS  28 -13.599   3.013   4.900
  205   2HD   LYS  28          2HD       LYS  28 -12.441   2.650   6.181
  206   1HE   LYS  28          2HE       LYS  28 -12.467   4.816   6.996
  207   2HE   LYS  28          1HE       LYS  28 -13.032   5.492   5.468
  208   1HZ   LYS  28          1HZ       LYS  28 -15.195   4.811   5.872
  209   2HZ   LYS  28          2HZ       LYS  28 -14.673   5.333   7.400
  210   3HZ   LYS  28          3HZ       LYS  28 -14.741   3.673   7.048
  211    H    ARG  29           H        ARG  29  -9.358   5.406   3.954
  212    HA   ARG  29           HA       ARG  29 -10.453   7.963   4.754
  213   1HB   ARG  29          1HB       ARG  29  -8.832   7.895   6.541
  214   2HB   ARG  29          2HB       ARG  29  -9.681   6.363   6.472
  215   1HG   ARG  29          1HG       ARG  29  -7.763   5.277   6.297
  216   2HG   ARG  29          2HG       ARG  29  -7.342   6.194   4.850
  217   1HD   ARG  29          1HD       ARG  29  -5.848   6.262   7.041
  218   2HD   ARG  29          2HD       ARG  29  -6.037   7.670   5.998
  219    HE   ARG  29           HE       ARG  29  -7.910   7.413   8.217
  220   1HH1  ARG  29          2HH1      ARG  29  -4.961   8.870   7.001
  221   2HH1  ARG  29          1HH1      ARG  29  -5.001  10.184   8.135
  222   1HH2  ARG  29          2HH2      ARG  29  -8.001   9.167   9.661
  223   2HH2  ARG  29          1HH2      ARG  29  -6.753  10.385   9.622
  224    H    HIS  30           H        HIS  30  -9.031   7.282   2.131
  225    HA   HIS  30           HA       HIS  30  -7.036   9.447   2.261
  226   1HB   HIS  30          1HB       HIS  30  -7.062   6.934   0.590
  227   2HB   HIS  30          2HB       HIS  30  -6.021   8.303   0.225
  228    HD1  HIS  30           1HD      HIS  30  -5.340   8.790   3.391
  229    HD2  HIS  30           2HD      HIS  30  -4.930   5.293   1.171
  230    HE1  HIS  30           1HE      HIS  30  -3.602   7.381   4.576
  231    H    MET  31           H        MET  31 -10.054   9.084   1.519
  232    HA   MET  31           HA       MET  31 -10.058  10.013  -1.231
  233   1HB   MET  31          1HB       MET  31 -12.261   9.442   0.753
  234   2HB   MET  31          2HB       MET  31 -12.557  10.073  -0.861
  235   1HG   MET  31          1HG       MET  31 -11.772   8.115  -1.890
  236   2HG   MET  31          2HG       MET  31 -11.032   7.533  -0.402
  237   1HE   MET  31          1HE       MET  31 -14.526   5.657  -1.891
  238   2HE   MET  31          2HE       MET  31 -13.908   7.071  -2.748
  239   3HE   MET  31          3HE       MET  31 -12.809   5.772  -2.285
  240    H    LEU  32           H        LEU  32 -10.305  11.254   1.974
  241    HA   LEU  32           HA       LEU  32 -10.375  13.332   2.850
  242   1HB   LEU  32          1HB       LEU  32  -9.584  14.331   0.121
  243   2HB   LEU  32          2HB       LEU  32  -9.297  15.108   1.666
  244    HG   LEU  32           HG       LEU  32  -8.004  12.554   0.712
  245   1HD1  LEU  32          1HD1      LEU  32  -6.750  14.028  -0.422
  246   2HD1  LEU  32          2HD1      LEU  32  -7.276  15.393   0.562
  247   3HD1  LEU  32          3HD1      LEU  32  -6.007  14.319   1.151
  248   1HD2  LEU  32          1HD2      LEU  32  -7.735  14.099   3.282
  249   2HD2  LEU  32          2HD2      LEU  32  -8.230  12.418   3.074
  250   3HD2  LEU  32          3HD2      LEU  32  -6.566  12.895   2.736
  251    H    VAL  33           H        VAL  33 -12.807  12.374   2.100
  252    HA   VAL  33           HA       VAL  33 -14.184  14.861   1.380
  253    HB   VAL  33           HB       VAL  33 -14.229  13.139  -0.507
  254   1HG1  VAL  33          1HG1      VAL  33 -15.526  11.604   1.642
  255   2HG1  VAL  33          2HG1      VAL  33 -16.324  11.541   0.070
  256   3HG1  VAL  33          3HG1      VAL  33 -14.636  11.051   0.224
  257   1HG2  VAL  33          1HG2      VAL  33 -16.368  13.784  -1.187
  258   2HG2  VAL  33          2HG2      VAL  33 -16.987  13.810   0.466
  259   3HG2  VAL  33          3HG2      VAL  33 -15.873  15.064  -0.078
  Start of MODEL    8
    1   1H    GLY   1          1H        GLY   1   8.184 -15.783   0.404
    2   2H    GLY   1          2H        GLY   1   6.690 -15.481   1.142
    3   3H    GLY   1          3H        GLY   1   7.642 -16.781   1.666
    4   1HA   GLY   1          2HA       GLY   1   8.547 -15.482   3.187
    5   2HA   GLY   1          1HA       GLY   1   9.245 -14.542   1.876
    6    H    SER   2           H        SER   2   8.780 -12.455   1.919
    7    HA   SER   2           HA       SER   2   6.127 -11.631   2.895
    8   1HB   SER   2          1HB       SER   2   8.227  -9.675   3.446
    9   2HB   SER   2          2HB       SER   2   6.968 -10.303   4.510
   10    HG   SER   2           HG       SER   2   9.588 -11.205   4.094
   11    H    THR   3           H        THR   3   5.120 -10.185   1.608
   12    HA   THR   3           HA       THR   3   6.518  -9.380  -0.824
   13    HB   THR   3           HB       THR   3   3.961  -8.563  -1.209
   14    HG1  THR   3           1HG      THR   3   3.644 -10.993   0.234
   15   1HG2  THR   3          1HG2      THR   3   4.925  -9.908  -2.842
   16   2HG2  THR   3          2HG2      THR   3   3.650 -10.943  -2.198
   17   3HG2  THR   3          3HG2      THR   3   5.322 -11.187  -1.695
   18    H    GLY   4           H        GLY   4   7.509  -7.464  -0.737
   19   1HA   GLY   4          1HA       GLY   4   6.647  -5.393   1.072
   20   2HA   GLY   4          2HA       GLY   4   7.982  -5.296  -0.068
   21    H    ILE   5           H        ILE   5   6.863  -5.684  -2.460
   22    HA   ILE   5           HA       ILE   5   4.928  -3.476  -2.681
   23    HB   ILE   5           HB       ILE   5   6.673  -4.654  -4.855
   24   1HG1  ILE   5          2HG1      ILE   5   8.058  -3.480  -3.251
   25   2HG1  ILE   5          1HG1      ILE   5   7.906  -2.493  -4.705
   26   1HG2  ILE   5          1HG2      ILE   5   5.399  -3.557  -6.296
   27   2HG2  ILE   5          2HG2      ILE   5   4.344  -3.049  -4.979
   28   3HG2  ILE   5          3HG2      ILE   5   5.716  -2.044  -5.445
   29   1HD1  ILE   5          1HD1      ILE   5   5.945  -1.386  -3.378
   30   2HD1  ILE   5          2HD1      ILE   5   6.792  -2.049  -1.982
   31   3HD1  ILE   5          3HD1      ILE   5   7.618  -0.926  -3.062
   32    H    LYS   6           H        LYS   6   2.922  -4.181  -2.769
   33    HA   LYS   6           HA       LYS   6   2.318  -6.772  -4.028
   34   1HB   LYS   6          1HB       LYS   6   1.065  -5.136  -1.879
   35   2HB   LYS   6          2HB       LYS   6   0.009  -6.114  -2.894
   36   1HG   LYS   6          1HG       LYS   6   0.493  -7.891  -1.677
   37   2HG   LYS   6          2HG       LYS   6   2.190  -7.742  -2.138
   38   1HD   LYS   6          1HD       LYS   6   2.775  -6.939  -0.128
   39   2HD   LYS   6          2HD       LYS   6   1.378  -5.854  -0.063
   40   1HE   LYS   6          2HE       LYS   6   0.225  -7.265   1.225
   41   2HE   LYS   6          1HE       LYS   6   0.617  -8.644   0.202
   42   1HZ   LYS   6          1HZ       LYS   6   1.445  -8.831   2.503
   43   2HZ   LYS   6          2HZ       LYS   6   2.458  -7.497   2.231
   44   3HZ   LYS   6          3HZ       LYS   6   2.676  -8.928   1.341
   45    HA   PRO   7           HA       PRO   7   0.391  -5.133  -7.568
   46   1HB   PRO   7          1HB       PRO   7  -2.107  -6.362  -7.507
   47   2HB   PRO   7          2HB       PRO   7  -0.625  -7.081  -8.142
   48   1HG   PRO   7          1HG       PRO   7  -1.923  -7.448  -5.482
   49   2HG   PRO   7          2HG       PRO   7  -1.077  -8.632  -6.490
   50   1HD   PRO   7          1HD       PRO   7   0.059  -7.560  -4.323
   51   2HD   PRO   7          2HD       PRO   7   1.002  -7.941  -5.778
   52    H    PHE   8           H        PHE   8  -1.043  -4.637  -4.532
   53    HA   PHE   8           HA       PHE   8  -2.448  -2.277  -5.548
   54   1HB   PHE   8          1HB       PHE   8  -3.423  -3.932  -3.214
   55   2HB   PHE   8          2HB       PHE   8  -4.261  -2.607  -4.016
   56    HD1  PHE   8           1HD      PHE   8  -3.425  -6.148  -4.129
   57    HD2  PHE   8           2HD      PHE   8  -5.298  -2.936  -6.199
   58    HE1  PHE   8           1HE      PHE   8  -4.574  -7.757  -5.592
   59    HE2  PHE   8           2HE      PHE   8  -6.447  -4.544  -7.663
   60    HZ   PHE   8           HZ       PHE   8  -6.072  -6.958  -7.371
   61    H    GLN   9           H        GLN   9  -1.340  -0.583  -4.814
   62    HA   GLN   9           HA       GLN   9  -0.140  -0.756  -2.134
   63   1HB   GLN   9          1HB       GLN   9   1.747  -0.888  -3.390
   64   2HB   GLN   9          2HB       GLN   9   1.010  -0.087  -4.770
   65   1HG   GLN   9          1HG       GLN   9   2.051   1.768  -4.238
   66   2HG   GLN   9          2HG       GLN   9   1.191   1.813  -2.707
   67   1HE2  GLN   9          1HE2      GLN   9   2.135   0.507  -0.950
   68   2HE2  GLN   9          2HE2      GLN   9   3.864   0.422  -0.838
   69    H    CYS  10           H        CYS  10  -0.229   0.999  -0.830
   70    HA   CYS  10           HA       CYS  10  -1.990   3.183  -1.612
   71   1HB   CYS  10          1HB       CYS  10  -2.436   2.582   0.610
   72   2HB   CYS  10          2HB       CYS  10  -0.744   2.287   0.974
   73    HA   PRO  11           HA       PRO  11   1.646   5.610  -2.563
   74   1HB   PRO  11          1HB       PRO  11   0.409   7.610  -3.792
   75   2HB   PRO  11          2HB       PRO  11   0.471   6.000  -4.515
   76   1HG   PRO  11          1HG       PRO  11  -1.784   7.367  -3.131
   77   2HG   PRO  11          2HG       PRO  11  -1.820   6.250  -4.504
   78   1HD   PRO  11          1HD       PRO  11  -2.307   5.610  -1.807
   79   2HD   PRO  11          2HD       PRO  11  -2.040   4.461  -3.133
   80    H    ASP  12           H        ASP  12  -0.479   6.068  -0.113
   81    HA   ASP  12           HA       ASP  12   0.448   8.798   0.478
   82   1HB   ASP  12          1HB       ASP  12  -2.034   8.302   0.416
   83   2HB   ASP  12          2HB       ASP  12  -1.800   7.344   1.875
   84    H    CYS  13           H        CYS  13   0.081   5.593   1.999
   85    HA   CYS  13           HA       CYS  13   1.988   6.482   4.077
   86   1HB   CYS  13          1HB       CYS  13   0.417   3.958   4.381
   87   2HB   CYS  13          2HB       CYS  13   1.021   5.052   5.616
   88    H    ASP  14           H        ASP  14   1.737   4.682   1.301
   89    HA   ASP  14           HA       ASP  14   3.129   3.244   0.226
   90   1HB   ASP  14          1HB       ASP  14   4.899   4.536   1.833
   91   2HB   ASP  14          2HB       ASP  14   5.065   2.886   2.425
   92    H    TRP  15           H        TRP  15   0.939   2.408   1.721
   93    HA   TRP  15           HA       TRP  15   1.673  -0.037   3.111
   94   1HB   TRP  15          1HB       TRP  15  -0.784   1.551   2.715
   95   2HB   TRP  15          2HB       TRP  15  -1.032  -0.190   2.728
   96    HD1  TRP  15           HD       TRP  15  -0.191   2.725   4.979
   97    HE1  TRP  15           1HE      TRP  15  -0.212   1.943   7.433
   98    HE3  TRP  15           3HE      TRP  15  -0.548  -2.311   4.206
   99    HZ2  TRP  15           2HZ      TRP  15  -0.362  -0.496   8.844
  100    HZ3  TRP  15           3HZ      TRP  15  -0.626  -3.802   6.162
  101    HH2  TRP  15           HH       TRP  15  -0.537  -2.910   8.434
  102    H    SER  16           H        SER  16   1.032  -2.145   2.343
  103    HA   SER  16           HA       SER  16   0.448  -2.260  -0.530
  104   1HB   SER  16          1HB       SER  16   2.233  -4.384   0.398
  105   2HB   SER  16          2HB       SER  16   2.362  -3.345  -1.021
  106    HG   SER  16           HG       SER  16   4.071  -2.905   0.359
  107    H    PHE  17           H        PHE  17  -1.025  -3.702  -1.111
  108    HA   PHE  17           HA       PHE  17  -1.845  -5.767   0.821
  109   1HB   PHE  17          1HB       PHE  17  -3.727  -3.993  -0.750
  110   2HB   PHE  17          2HB       PHE  17  -4.187  -5.252   0.390
  111    HD1  PHE  17           1HD      PHE  17  -2.868  -1.864   0.008
  112    HD2  PHE  17           2HD      PHE  17  -4.005  -4.900   2.769
  113    HE1  PHE  17           1HE      PHE  17  -2.851  -0.207   1.826
  114    HE2  PHE  17           2HE      PHE  17  -3.990  -3.250   4.595
  115    HZ   PHE  17           HZ       PHE  17  -3.413  -0.903   4.123
  116    H    SER  18           H        SER  18  -2.423  -7.710  -0.068
  117    HA   SER  18           HA       SER  18  -1.893  -8.058  -2.897
  118   1HB   SER  18          1HB       SER  18  -2.942 -10.381  -1.476
  119   2HB   SER  18          2HB       SER  18  -1.420 -10.189  -2.346
  120    HG   SER  18           HG       SER  18  -1.210 -10.580  -0.053
  121    H    ARG  19           H        ARG  19  -4.507  -7.224  -1.035
  122    HA   ARG  19           HA       ARG  19  -6.420  -8.147  -3.088
  123   1HB   ARG  19          1HB       ARG  19  -6.678  -8.043  -0.089
  124   2HB   ARG  19          2HB       ARG  19  -8.103  -7.895  -1.107
  125   1HG   ARG  19          1HG       ARG  19  -7.456 -10.075  -2.160
  126   2HG   ARG  19          2HG       ARG  19  -6.212 -10.222  -0.917
  127   1HD   ARG  19          1HD       ARG  19  -8.247 -11.450  -0.319
  128   2HD   ARG  19          2HD       ARG  19  -7.906 -10.152   0.822
  129    HE   ARG  19           HE       ARG  19  -9.855  -9.120   0.201
  130   1HH1  ARG  19          2HH1      ARG  19  -9.078 -11.617  -2.141
  131   2HH1  ARG  19          1HH1      ARG  19 -10.627 -11.529  -2.932
  132   1HH2  ARG  19          2HH2      ARG  19 -11.891  -9.018  -0.837
  133   2HH2  ARG  19          1HH2      ARG  19 -12.212 -10.036  -2.206
  134    H    SER  20           H        SER  20  -7.518  -6.754  -4.034
  135    HA   SER  20           HA       SER  20  -7.054  -4.015  -3.846
  136   1HB   SER  20          1HB       SER  20  -9.087  -4.034  -5.385
  137   2HB   SER  20          2HB       SER  20  -7.686  -4.944  -5.898
  138    HG   SER  20           HG       SER  20  -9.700  -6.073  -6.133
  139    H    ASP  21           H        ASP  21  -9.535  -6.116  -2.524
  140    HA   ASP  21           HA       ASP  21 -11.272  -4.125  -1.533
  141   1HB   ASP  21          1HB       ASP  21 -12.455  -6.019  -1.278
  142   2HB   ASP  21          2HB       ASP  21 -11.007  -6.997  -1.451
  143    H    HIS  22           H        HIS  22  -8.336  -5.566  -0.306
  144    HA   HIS  22           HA       HIS  22  -8.639  -4.497   2.345
  145   1HB   HIS  22          1HB       HIS  22  -6.536  -5.983   0.871
  146   2HB   HIS  22          2HB       HIS  22  -6.010  -4.997   2.228
  147    HD1  HIS  22           1HD      HIS  22  -5.544  -6.738   3.982
  148    HD2  HIS  22           2HD      HIS  22  -9.244  -7.244   2.138
  149    HE1  HIS  22           1HE      HIS  22  -6.719  -8.527   5.300
  150    HE2  HIS  22           2HE      HIS  22  -9.001  -8.734   4.250
  151    H    LEU  23           H        LEU  23  -6.966  -3.576  -0.621
  152    HA   LEU  23           HA       LEU  23  -5.660  -1.296   0.447
  153   1HB   LEU  23          1HB       LEU  23  -4.957  -2.278  -1.676
  154   2HB   LEU  23          2HB       LEU  23  -6.508  -1.884  -2.395
  155    HG   LEU  23           HG       LEU  23  -5.969   0.550  -1.951
  156   1HD1  LEU  23          1HD1      LEU  23  -3.177  -0.501  -1.575
  157   2HD1  LEU  23          2HD1      LEU  23  -3.709   1.179  -1.524
  158   3HD1  LEU  23          3HD1      LEU  23  -4.210   0.057  -0.258
  159   1HD2  LEU  23          1HD2      LEU  23  -5.249  -1.150  -4.043
  160   2HD2  LEU  23          2HD2      LEU  23  -5.384   0.608  -4.091
  161   3HD2  LEU  23          3HD2      LEU  23  -3.827  -0.148  -3.746
  162    H    ALA  24           H        ALA  24  -8.736  -1.756  -1.265
  163    HA   ALA  24           HA       ALA  24  -9.515   0.943  -1.272
  164   1HB   ALA  24          1HB       ALA  24 -10.600  -0.633  -2.718
  165   2HB   ALA  24          2HB       ALA  24 -11.164  -1.581  -1.341
  166   3HB   ALA  24          3HB       ALA  24 -11.810   0.036  -1.622
  167    H    LEU  25           H        LEU  25  -9.727  -1.552   1.165
  168    HA   LEU  25           HA       LEU  25 -11.545  -0.191   2.899
  169   1HB   LEU  25          1HB       LEU  25 -10.164  -2.678   2.853
  170   2HB   LEU  25          2HB       LEU  25  -9.772  -1.881   4.364
  171    HG   LEU  25           HG       LEU  25 -12.622  -2.193   3.462
  172   1HD1  LEU  25          1HD1      LEU  25 -12.783  -4.236   4.708
  173   2HD1  LEU  25          2HD1      LEU  25 -11.512  -4.410   3.497
  174   3HD1  LEU  25          3HD1      LEU  25 -11.088  -4.128   5.186
  175   1HD2  LEU  25          1HD2      LEU  25 -13.187  -1.507   5.551
  176   2HD2  LEU  25          2HD2      LEU  25 -11.767  -2.242   6.296
  177   3HD2  LEU  25          3HD2      LEU  25 -11.620  -0.705   5.443
  178    H    HIS  26           H        HIS  26  -8.043  -0.378   2.594
  179    HA   HIS  26           HA       HIS  26  -7.511   1.222   4.907
  180   1HB   HIS  26          1HB       HIS  26  -5.796  -0.296   4.262
  181   2HB   HIS  26          2HB       HIS  26  -5.838   0.249   2.590
  182    HD1  HIS  26           1HD      HIS  26  -4.683   1.423   6.008
  183    HD2  HIS  26           2HD      HIS  26  -4.092   2.221   1.972
  184    HE1  HIS  26           1HE      HIS  26  -2.881   3.198   5.877
  185    H    ARG  27           H        ARG  27  -7.807   1.784   1.453
  186    HA   ARG  27           HA       ARG  27  -6.950   4.525   1.660
  187   1HB   ARG  27          1HB       ARG  27  -7.987   2.865  -0.635
  188   2HB   ARG  27          2HB       ARG  27  -7.515   4.549  -0.800
  189   1HG   ARG  27          1HG       ARG  27  -5.390   3.239   0.496
  190   2HG   ARG  27          2HG       ARG  27  -5.892   2.199  -0.831
  191   1HD   ARG  27          1HD       ARG  27  -4.130   4.220  -1.089
  192   2HD   ARG  27          2HD       ARG  27  -5.157   3.619  -2.399
  193    HE   ARG  27           HE       ARG  27  -6.271   5.776  -0.802
  194   1HH1  ARG  27          2HH1      ARG  27  -4.489   4.887  -3.676
  195   2HH1  ARG  27          1HH1      ARG  27  -4.843   6.374  -4.509
  196   1HH2  ARG  27          2HH2      ARG  27  -6.794   7.720  -1.925
  197   2HH2  ARG  27          1HH2      ARG  27  -6.157   7.978  -3.522
  198    H    LYS  28           H        LYS  28  -9.650   3.297   2.752
  199    HA   LYS  28           HA       LYS  28 -11.664   4.864   1.506
  200   1HB   LYS  28          1HB       LYS  28 -13.115   4.128   3.205
  201   2HB   LYS  28          2HB       LYS  28 -12.006   2.790   2.957
  202   1HG   LYS  28          1HG       LYS  28 -11.019   3.044   4.996
  203   2HG   LYS  28          2HG       LYS  28 -11.353   4.776   5.065
  204   1HD   LYS  28          1HD       LYS  28 -13.310   4.464   6.106
  205   2HD   LYS  28          2HD       LYS  28 -13.775   3.159   5.012
  206   1HE   LYS  28          2HE       LYS  28 -13.470   1.766   6.724
  207   2HE   LYS  28          1HE       LYS  28 -11.741   2.070   6.550
  208   1HZ   LYS  28          1HZ       LYS  28 -11.930   3.883   8.127
  209   2HZ   LYS  28          2HZ       LYS  28 -12.486   2.439   8.815
  210   3HZ   LYS  28          3HZ       LYS  28 -13.597   3.608   8.286
  211    H    ARG  29           H        ARG  29  -9.316   5.429   3.991
  212    HA   ARG  29           HA       ARG  29 -10.442   8.033   4.623
  213   1HB   ARG  29          1HB       ARG  29  -8.309   8.074   6.134
  214   2HB   ARG  29          2HB       ARG  29  -9.711   7.132   6.616
  215   1HG   ARG  29          1HG       ARG  29  -8.598   5.200   6.487
  216   2HG   ARG  29          2HG       ARG  29  -7.805   5.649   4.976
  217   1HD   ARG  29          1HD       ARG  29  -6.219   5.321   6.848
  218   2HD   ARG  29          2HD       ARG  29  -6.163   6.944   6.162
  219    HE   ARG  29           HE       ARG  29  -7.949   6.898   8.349
  220   1HH1  ARG  29          2HH1      ARG  29  -4.520   6.701   7.651
  221   2HH1  ARG  29          1HH1      ARG  29  -4.042   7.438   9.147
  222   1HH2  ARG  29          2HH2      ARG  29  -7.314   7.854  10.339
  223   2HH2  ARG  29          1HH2      ARG  29  -5.624   8.089  10.675
  224    H    HIS  30           H        HIS  30  -9.138   7.118   2.051
  225    HA   HIS  30           HA       HIS  30  -7.212   9.342   1.840
  226   1HB   HIS  30          1HB       HIS  30  -7.128   6.687   0.392
  227   2HB   HIS  30          2HB       HIS  30  -6.085   8.052   0.029
  228    HD1  HIS  30           1HD      HIS  30  -5.619   8.601   3.254
  229    HD2  HIS  30           2HD      HIS  30  -4.934   5.145   1.045
  230    HE1  HIS  30           1HE      HIS  30  -3.897   7.253   4.533
  231    H    MET  31           H        MET  31 -10.047   9.364   1.498
  232    HA   MET  31           HA       MET  31 -10.594   9.279  -1.336
  233   1HB   MET  31          1HB       MET  31 -12.149   9.696   1.146
  234   2HB   MET  31          2HB       MET  31 -12.753  10.528  -0.280
  235   1HG   MET  31          1HG       MET  31 -12.135   7.880  -1.044
  236   2HG   MET  31          2HG       MET  31 -13.043   7.803   0.464
  237   1HE   MET  31          1HE       MET  31 -13.439   6.850  -2.486
  238   2HE   MET  31          2HE       MET  31 -15.024   6.482  -1.808
  239   3HE   MET  31          3HE       MET  31 -14.897   7.468  -3.266
  240    H    LEU  32           H        LEU  32 -10.239  11.738   1.177
  241    HA   LEU  32           HA       LEU  32 -10.199  13.830  -0.879
  242   1HB   LEU  32          1HB       LEU  32 -10.826  13.744   1.990
  243   2HB   LEU  32          2HB       LEU  32  -9.864  15.125   1.503
  244    HG   LEU  32           HG       LEU  32 -12.648  14.390   0.673
  245   1HD1  LEU  32          1HD1      LEU  32 -12.547  15.790   2.576
  246   2HD1  LEU  32          2HD1      LEU  32 -11.318  16.819   1.840
  247   3HD1  LEU  32          3HD1      LEU  32 -12.967  16.828   1.213
  248   1HD2  LEU  32          1HD2      LEU  32 -10.600  15.656  -0.974
  249   2HD2  LEU  32          2HD2      LEU  32 -12.175  15.004  -1.425
  250   3HD2  LEU  32          3HD2      LEU  32 -12.050  16.641  -0.780
  251    H    VAL  33           H        VAL  33  -8.083  12.157  -1.052
  252    HA   VAL  33           HA       VAL  33  -5.867  13.610   0.220
  253    HB   VAL  33           HB       VAL  33  -6.196  11.006   0.457
  254   1HG1  VAL  33          1HG1      VAL  33  -5.026   9.694  -1.203
  255   2HG1  VAL  33          2HG1      VAL  33  -6.347  10.577  -1.966
  256   3HG1  VAL  33          3HG1      VAL  33  -4.687  11.143  -2.149
  257   1HG2  VAL  33          1HG2      VAL  33  -4.062  10.925   1.196
  258   2HG2  VAL  33          2HG2      VAL  33  -3.407  11.657  -0.270
  259   3HG2  VAL  33          3HG2      VAL  33  -4.170  12.670   0.956
  Start of MODEL    9
    1   1H    GLY   1          1H        GLY   1   3.246 -12.959  -7.942
    2   2H    GLY   1          2H        GLY   1   3.585 -14.508  -7.339
    3   3H    GLY   1          3H        GLY   1   4.746 -13.276  -7.216
    4   1HA   GLY   1          2HA       GLY   1   2.274 -12.509  -6.024
    5   2HA   GLY   1          1HA       GLY   1   2.912 -13.984  -5.313
    6    H    SER   2           H        SER   2   3.673 -10.618  -6.074
    7    HA   SER   2           HA       SER   2   6.133 -10.565  -4.653
    8   1HB   SER   2          1HB       SER   2   4.734  -8.006  -4.862
    9   2HB   SER   2          2HB       SER   2   6.289  -8.493  -5.535
   10    HG   SER   2           HG       SER   2   5.242  -9.397  -7.284
   11    H    THR   3           H        THR   3   6.249 -10.928  -2.544
   12    HA   THR   3           HA       THR   3   3.989 -10.463  -0.850
   13    HB   THR   3           HB       THR   3   6.144 -11.234   0.755
   14    HG1  THR   3           1HG      THR   3   6.381 -13.173  -1.093
   15   1HG2  THR   3          1HG2      THR   3   3.618 -12.235  -0.120
   16   2HG2  THR   3          2HG2      THR   3   4.529 -12.658   1.329
   17   3HG2  THR   3          3HG2      THR   3   4.795 -13.549  -0.170
   18    H    GLY   4           H        GLY   4   6.599  -8.633  -1.762
   19   1HA   GLY   4          1HA       GLY   4   6.667  -7.060   0.712
   20   2HA   GLY   4          2HA       GLY   4   7.768  -6.880  -0.650
   21    H    ILE   5           H        ILE   5   6.900  -5.960  -2.632
   22    HA   ILE   5           HA       ILE   5   4.949  -3.857  -2.079
   23    HB   ILE   5           HB       ILE   5   6.462  -4.406  -4.640
   24   1HG1  ILE   5          2HG1      ILE   5   8.076  -3.886  -2.961
   25   2HG1  ILE   5          1HG1      ILE   5   7.838  -2.418  -3.908
   26   1HG2  ILE   5          1HG2      ILE   5   5.843  -1.760  -4.648
   27   2HG2  ILE   5          2HG2      ILE   5   4.891  -3.013  -5.446
   28   3HG2  ILE   5          3HG2      ILE   5   4.431  -2.442  -3.841
   29   1HD1  ILE   5          1HD1      ILE   5   6.248  -1.666  -2.109
   30   2HD1  ILE   5          2HD1      ILE   5   6.818  -3.035  -1.151
   31   3HD1  ILE   5          3HD1      ILE   5   7.946  -1.768  -1.643
   32    H    LYS   6           H        LYS   6   2.914  -4.474  -2.194
   33    HA   LYS   6           HA       LYS   6   2.150  -6.750  -3.808
   34   1HB   LYS   6          1HB       LYS   6   0.883  -5.098  -1.683
   35   2HB   LYS   6          2HB       LYS   6  -0.168  -5.974  -2.792
   36   1HG   LYS   6          1HG       LYS   6   0.057  -7.544  -1.172
   37   2HG   LYS   6          2HG       LYS   6   1.435  -7.978  -2.183
   38   1HD   LYS   6          1HD       LYS   6   2.905  -7.441  -0.586
   39   2HD   LYS   6          2HD       LYS   6   2.064  -5.933  -0.203
   40   1HE   LYS   6          2HE       LYS   6   0.635  -6.978   1.317
   41   2HE   LYS   6          1HE       LYS   6   0.956  -8.583   0.660
   42   1HZ   LYS   6          1HZ       LYS   6   3.005  -6.954   2.058
   43   2HZ   LYS   6          2HZ       LYS   6   3.107  -8.588   1.624
   44   3HZ   LYS   6          3HZ       LYS   6   2.034  -8.102   2.840
   45    HA   PRO   7           HA       PRO   7   0.573  -4.857  -7.374
   46   1HB   PRO   7          1HB       PRO   7  -1.947  -5.993  -7.578
   47   2HB   PRO   7          2HB       PRO   7  -0.443  -6.743  -8.116
   48   1HG   PRO   7          1HG       PRO   7  -1.979  -7.176  -5.599
   49   2HG   PRO   7          2HG       PRO   7  -1.090  -8.344  -6.591
   50   1HD   PRO   7          1HD       PRO   7  -0.107  -7.399  -4.281
   51   2HD   PRO   7          2HD       PRO   7   0.941  -7.778  -5.660
   52    H    PHE   8           H        PHE   8  -1.330  -4.697  -4.503
   53    HA   PHE   8           HA       PHE   8  -2.602  -2.230  -5.469
   54   1HB   PHE   8          1HB       PHE   8  -3.541  -3.904  -3.136
   55   2HB   PHE   8          2HB       PHE   8  -4.411  -2.611  -3.958
   56    HD1  PHE   8           1HD      PHE   8  -3.568  -6.122  -3.949
   57    HD2  PHE   8           2HD      PHE   8  -5.293  -2.974  -6.231
   58    HE1  PHE   8           1HE      PHE   8  -4.626  -7.779  -5.426
   59    HE2  PHE   8           2HE      PHE   8  -6.350  -4.621  -7.718
   60    HZ   PHE   8           HZ       PHE   8  -6.010  -7.032  -7.324
   61    H    GLN   9           H        GLN   9  -1.347  -0.637  -4.849
   62    HA   GLN   9           HA       GLN   9  -0.125  -0.740  -2.181
   63   1HB   GLN   9          1HB       GLN   9   1.729  -0.911  -3.442
   64   2HB   GLN   9          2HB       GLN   9   0.938  -0.263  -4.870
   65   1HG   GLN   9          1HG       GLN   9   2.113   1.559  -4.578
   66   2HG   GLN   9          2HG       GLN   9   1.147   1.894  -3.149
   67   1HE2  GLN   9          1HE2      GLN   9   2.436   2.561  -1.627
   68   2HE2  GLN   9          2HE2      GLN   9   3.938   1.827  -1.168
   69    H    CYS  10           H        CYS  10  -0.126   1.047  -0.906
   70    HA   CYS  10           HA       CYS  10  -1.921   3.213  -1.682
   71   1HB   CYS  10          1HB       CYS  10  -2.281   2.615   0.580
   72   2HB   CYS  10          2HB       CYS  10  -0.559   2.475   0.903
   73    HA   PRO  11           HA       PRO  11   1.642   5.611  -2.916
   74   1HB   PRO  11          1HB       PRO  11   0.341   7.708  -3.911
   75   2HB   PRO  11          2HB       PRO  11   0.311   6.143  -4.730
   76   1HG   PRO  11          1HG       PRO  11  -1.764   7.405  -2.983
   77   2HG   PRO  11          2HG       PRO  11  -1.972   6.504  -4.496
   78   1HD   PRO  11          1HD       PRO  11  -2.321   5.430  -1.980
   79   2HD   PRO  11          2HD       PRO  11  -1.933   4.483  -3.428
   80    H    ASP  12           H        ASP  12  -0.395   6.131  -0.321
   81    HA   ASP  12           HA       ASP  12   0.758   8.764   0.307
   82   1HB   ASP  12          1HB       ASP  12  -1.711   8.472   0.457
   83   2HB   ASP  12          2HB       ASP  12  -1.462   7.298   1.745
   84    H    CYS  13           H        CYS  13   0.153   5.666   1.981
   85    HA   CYS  13           HA       CYS  13   2.260   6.369   3.903
   86   1HB   CYS  13          1HB       CYS  13   0.610   3.883   4.113
   87   2HB   CYS  13          2HB       CYS  13   1.302   4.873   5.394
   88    H    ASP  14           H        ASP  14   1.831   4.662   1.097
   89    HA   ASP  14           HA       ASP  14   3.120   3.231  -0.107
   90   1HB   ASP  14          1HB       ASP  14   5.023   4.419   1.431
   91   2HB   ASP  14          2HB       ASP  14   5.186   2.740   1.938
   92    H    TRP  15           H        TRP  15   1.069   2.498   1.782
   93    HA   TRP  15           HA       TRP  15   1.768   0.026   3.038
   94   1HB   TRP  15          1HB       TRP  15  -0.649   1.660   2.673
   95   2HB   TRP  15          2HB       TRP  15  -0.958  -0.072   2.677
   96    HD1  TRP  15           HD       TRP  15  -0.219   2.808   4.944
   97    HE1  TRP  15           1HE      TRP  15  -0.113   1.996   7.387
   98    HE3  TRP  15           3HE      TRP  15  -0.213  -2.235   4.116
   99    HZ2  TRP  15           2HZ      TRP  15  -0.045  -0.465   8.774
  100    HZ3  TRP  15           3HZ      TRP  15  -0.126  -3.750   6.052
  101    HH2  TRP  15           HH       TRP  15  -0.043  -2.882   8.335
  102    H    SER  16           H        SER  16   1.154  -2.079   2.354
  103    HA   SER  16           HA       SER  16   0.536  -2.291  -0.519
  104   1HB   SER  16          1HB       SER  16   2.155  -4.497   0.443
  105   2HB   SER  16          2HB       SER  16   2.446  -3.404  -0.912
  106    HG   SER  16           HG       SER  16   3.590  -2.081   0.359
  107    H    PHE  17           H        PHE  17  -1.052  -3.635  -1.041
  108    HA   PHE  17           HA       PHE  17  -1.950  -5.638   0.925
  109   1HB   PHE  17          1HB       PHE  17  -3.748  -3.823  -0.703
  110   2HB   PHE  17          2HB       PHE  17  -4.277  -5.071   0.422
  111    HD1  PHE  17           1HD      PHE  17  -4.283  -4.700   2.767
  112    HD2  PHE  17           2HD      PHE  17  -2.697  -1.770   0.121
  113    HE1  PHE  17           1HE      PHE  17  -4.238  -3.071   4.605
  114    HE2  PHE  17           2HE      PHE  17  -2.651  -0.128   1.950
  115    HZ   PHE  17           HZ       PHE  17  -3.419  -0.783   4.205
  116    H    SER  18           H        SER  18  -2.439  -7.594   0.083
  117    HA   SER  18           HA       SER  18  -1.915  -8.008  -2.739
  118   1HB   SER  18          1HB       SER  18  -2.881 -10.339  -1.279
  119   2HB   SER  18          2HB       SER  18  -1.323 -10.078  -2.064
  120    HG   SER  18           HG       SER  18  -1.359 -10.380   0.327
  121    H    ARG  19           H        ARG  19  -4.541  -7.232  -0.849
  122    HA   ARG  19           HA       ARG  19  -6.441  -8.271  -2.866
  123   1HB   ARG  19          1HB       ARG  19  -6.553  -8.276   0.060
  124   2HB   ARG  19          2HB       ARG  19  -7.947  -7.491  -0.662
  125   1HG   ARG  19          1HG       ARG  19  -8.447  -9.476  -1.947
  126   2HG   ARG  19          2HG       ARG  19  -6.997 -10.267  -1.329
  127   1HD   ARG  19          1HD       ARG  19  -8.727 -11.112  -0.007
  128   2HD   ARG  19          2HD       ARG  19  -7.972  -9.872   0.992
  129    HE   ARG  19           HE       ARG  19  -9.845  -8.437   0.516
  130   1HH1  ARG  19          2HH1      ARG  19 -10.228 -11.773  -0.481
  131   2HH1  ARG  19          1HH1      ARG  19 -11.968 -11.701  -0.484
  132   1HH2  ARG  19          2HH2      ARG  19 -12.115  -8.339   0.549
  133   2HH2  ARG  19          1HH2      ARG  19 -13.052  -9.741   0.098
  134    H    SER  20           H        SER  20  -7.545  -6.953  -3.938
  135    HA   SER  20           HA       SER  20  -7.014  -4.223  -4.037
  136   1HB   SER  20          1HB       SER  20  -9.051  -4.307  -5.515
  137   2HB   SER  20          2HB       SER  20  -7.782  -5.428  -5.939
  138    HG   SER  20           HG       SER  20  -9.850  -6.414  -5.954
  139    H    ASP  21           H        ASP  21  -9.650  -6.084  -2.628
  140    HA   ASP  21           HA       ASP  21 -11.212  -3.914  -1.739
  141   1HB   ASP  21          1HB       ASP  21 -12.494  -5.784  -1.677
  142   2HB   ASP  21          2HB       ASP  21 -11.124  -6.836  -1.341
  143    H    HIS  22           H        HIS  22  -8.457  -5.581  -0.335
  144    HA   HIS  22           HA       HIS  22  -8.767  -4.460   2.280
  145   1HB   HIS  22          1HB       HIS  22  -6.701  -6.065   0.898
  146   2HB   HIS  22          2HB       HIS  22  -6.137  -5.048   2.218
  147    HD1  HIS  22           1HD      HIS  22  -5.810  -6.651   4.104
  148    HD2  HIS  22           2HD      HIS  22  -9.446  -7.215   2.157
  149    HE1  HIS  22           1HE      HIS  22  -7.070  -8.339   5.482
  150    HE2  HIS  22           2HE      HIS  22  -9.250  -8.698   4.274
  151    H    LEU  23           H        LEU  23  -6.948  -3.570  -0.622
  152    HA   LEU  23           HA       LEU  23  -5.598  -1.361   0.534
  153   1HB   LEU  23          1HB       LEU  23  -4.810  -2.288  -1.550
  154   2HB   LEU  23          2HB       LEU  23  -6.352  -1.969  -2.323
  155    HG   LEU  23           HG       LEU  23  -5.867   0.516  -1.812
  156   1HD1  LEU  23          1HD1      LEU  23  -3.579   1.141  -1.557
  157   2HD1  LEU  23          2HD1      LEU  23  -3.976  -0.013  -0.282
  158   3HD1  LEU  23          3HD1      LEU  23  -3.051  -0.538  -1.689
  159   1HD2  LEU  23          1HD2      LEU  23  -5.077  -1.217  -3.965
  160   2HD2  LEU  23          2HD2      LEU  23  -5.659   0.447  -4.021
  161   3HD2  LEU  23          3HD2      LEU  23  -3.940   0.120  -3.801
  162    H    ALA  24           H        ALA  24  -8.637  -1.735  -1.230
  163    HA   ALA  24           HA       ALA  24  -9.377   0.981  -1.258
  164   1HB   ALA  24          1HB       ALA  24 -11.764  -0.098  -1.346
  165   2HB   ALA  24          2HB       ALA  24 -10.649  -0.293  -2.699
  166   3HB   ALA  24          3HB       ALA  24 -10.859  -1.599  -1.532
  167    H    LEU  25           H        LEU  25  -9.736  -1.552   1.153
  168    HA   LEU  25           HA       LEU  25 -11.454  -0.137   2.926
  169   1HB   LEU  25          1HB       LEU  25  -9.856  -2.589   2.962
  170   2HB   LEU  25          2HB       LEU  25  -9.933  -1.795   4.521
  171    HG   LEU  25           HG       LEU  25 -12.498  -2.201   3.074
  172   1HD1  LEU  25          1HD1      LEU  25 -10.836  -4.398   4.265
  173   2HD1  LEU  25          2HD1      LEU  25 -12.596  -4.494   4.186
  174   3HD1  LEU  25          3HD1      LEU  25 -11.654  -4.354   2.703
  175   1HD2  LEU  25          1HD2      LEU  25 -11.727  -2.555   5.966
  176   2HD2  LEU  25          2HD2      LEU  25 -12.310  -1.044   5.269
  177   3HD2  LEU  25          3HD2      LEU  25 -13.356  -2.464   5.296
  178    H    HIS  26           H        HIS  26  -8.068  -0.033   2.253
  179    HA   HIS  26           HA       HIS  26  -7.455   1.441   4.678
  180   1HB   HIS  26          1HB       HIS  26  -5.787  -0.131   4.033
  181   2HB   HIS  26          2HB       HIS  26  -5.789   0.442   2.370
  182    HD1  HIS  26           1HD      HIS  26  -4.698   1.592   5.831
  183    HD2  HIS  26           2HD      HIS  26  -3.980   2.362   1.810
  184    HE1  HIS  26           1HE      HIS  26  -2.823   3.286   5.745
  185    H    ARG  27           H        ARG  27  -7.717   1.999   1.201
  186    HA   ARG  27           HA       ARG  27  -6.874   4.748   1.515
  187   1HB   ARG  27          1HB       ARG  27  -7.846   3.341  -0.976
  188   2HB   ARG  27          2HB       ARG  27  -7.040   4.901  -0.908
  189   1HG   ARG  27          1HG       ARG  27  -5.293   3.231   0.408
  190   2HG   ARG  27          2HG       ARG  27  -5.928   2.215  -0.880
  191   1HD   ARG  27          1HD       ARG  27  -3.808   3.795  -1.212
  192   2HD   ARG  27          2HD       ARG  27  -4.945   3.439  -2.520
  193    HE   ARG  27           HE       ARG  27  -5.237   5.870  -0.883
  194   1HH1  ARG  27          2HH1      ARG  27  -4.863   4.325  -4.017
  195   2HH1  ARG  27          1HH1      ARG  27  -4.954   5.828  -4.893
  196   1HH2  ARG  27          2HH2      ARG  27  -5.330   7.835  -2.051
  197   2HH2  ARG  27          1HH2      ARG  27  -5.229   7.801  -3.790
  198    H    LYS  28           H        LYS  28  -9.757   3.186   1.976
  199    HA   LYS  28           HA       LYS  28 -11.554   5.057   0.830
  200   1HB   LYS  28          1HB       LYS  28 -13.274   4.022   2.155
  201   2HB   LYS  28          2HB       LYS  28 -12.229   2.767   1.508
  202   1HG   LYS  28          1HG       LYS  28 -11.363   2.239   3.571
  203   2HG   LYS  28          2HG       LYS  28 -11.720   3.830   4.250
  204   1HD   LYS  28          1HD       LYS  28 -14.011   3.331   4.475
  205   2HD   LYS  28          2HD       LYS  28 -13.891   1.923   3.420
  206   1HE   LYS  28          2HE       LYS  28 -12.529   0.779   5.088
  207   2HE   LYS  28          1HE       LYS  28 -12.624   2.189   6.142
  208   1HZ   LYS  28          1HZ       LYS  28 -14.216   0.416   6.724
  209   2HZ   LYS  28          2HZ       LYS  28 -14.972   0.623   5.223
  210   3HZ   LYS  28          3HZ       LYS  28 -14.975   1.888   6.357
  211    H    ARG  29           H        ARG  29  -9.825   4.890   3.866
  212    HA   ARG  29           HA       ARG  29 -11.192   7.140   5.012
  213   1HB   ARG  29          1HB       ARG  29  -9.302   7.058   6.685
  214   2HB   ARG  29          2HB       ARG  29 -10.293   5.614   6.597
  215   1HG   ARG  29          1HG       ARG  29  -8.448   4.431   6.342
  216   2HG   ARG  29          2HG       ARG  29  -8.187   5.224   4.787
  217   1HD   ARG  29          1HD       ARG  29  -6.213   5.466   6.152
  218   2HD   ARG  29          2HD       ARG  29  -6.986   7.039   5.951
  219    HE   ARG  29           HE       ARG  29  -7.728   5.600   8.354
  220   1HH1  ARG  29          2HH1      ARG  29  -5.635   8.009   6.902
  221   2HH1  ARG  29          1HH1      ARG  29  -5.123   8.666   8.426
  222   1HH2  ARG  29          2HH2      ARG  29  -7.069   6.470  10.351
  223   2HH2  ARG  29          1HH2      ARG  29  -5.957   7.803  10.389
  224    H    HIS  30           H        HIS  30  -8.729   6.614   2.763
  225    HA   HIS  30           HA       HIS  30  -7.357   9.126   3.096
  226   1HB   HIS  30          1HB       HIS  30  -7.288   6.967   0.994
  227   2HB   HIS  30          2HB       HIS  30  -6.420   8.486   0.791
  228    HD1  HIS  30           1HD      HIS  30  -5.611   8.509   3.970
  229    HD2  HIS  30           2HD      HIS  30  -4.910   5.539   1.146
  230    HE1  HIS  30           1HE      HIS  30  -3.620   7.189   4.797
  231    H    MET  31           H        MET  31 -10.266   8.106   1.801
  232    HA   MET  31           HA       MET  31 -10.476  10.132  -0.254
  233   1HB   MET  31          1HB       MET  31 -12.081   7.849   0.669
  234   2HB   MET  31          2HB       MET  31 -13.035   9.242   0.181
  235   1HG   MET  31          1HG       MET  31 -11.247   9.057  -1.862
  236   2HG   MET  31          2HG       MET  31 -11.483   7.365  -1.428
  237   1HE   MET  31          1HE       MET  31 -13.464  10.579  -3.097
  238   2HE   MET  31          2HE       MET  31 -12.120   9.642  -3.746
  239   3HE   MET  31          3HE       MET  31 -13.745   9.417  -4.391
  240    H    LEU  32           H        LEU  32 -10.365  10.296   2.939
  241    HA   LEU  32           HA       LEU  32 -10.976  11.776   4.531
  242   1HB   LEU  32          1HB       LEU  32 -11.679  13.411   2.097
  243   2HB   LEU  32          2HB       LEU  32 -11.734  14.041   3.732
  244    HG   LEU  32           HG       LEU  32  -9.177  12.793   3.025
  245   1HD1  LEU  32          1HD1      LEU  32  -8.973  13.712   1.007
  246   2HD1  LEU  32          2HD1      LEU  32 -10.394  14.731   1.229
  247   3HD1  LEU  32          3HD1      LEU  32  -8.831  15.250   1.859
  248   1HD2  LEU  32          1HD2      LEU  32  -9.906  14.256   5.053
  249   2HD2  LEU  32          2HD2      LEU  32  -8.300  14.461   4.351
  250   3HD2  LEU  32          3HD2      LEU  32  -9.586  15.600   3.955
  251    H    VAL  33           H        VAL  33 -12.766   9.815   4.272
  252    HA   VAL  33           HA       VAL  33 -15.370  11.174   4.464
  253    HB   VAL  33           HB       VAL  33 -14.940   8.221   3.973
  254   1HG1  VAL  33          1HG1      VAL  33 -17.435   8.802   3.101
  255   2HG1  VAL  33          2HG1      VAL  33 -17.060   8.214   4.720
  256   3HG1  VAL  33          3HG1      VAL  33 -17.277   9.940   4.439
  257   1HG2  VAL  33          1HG2      VAL  33 -14.430  10.200   2.140
  258   2HG2  VAL  33          2HG2      VAL  33 -14.864   8.534   1.755
  259   3HG2  VAL  33          3HG2      VAL  33 -16.109   9.782   1.798
  Start of MODEL   10
    1   1H    GLY   1          1H        GLY   1   7.671  -6.123   3.111
    2   2H    GLY   1          2H        GLY   1   8.886  -6.437   4.253
    3   3H    GLY   1          3H        GLY   1   9.246  -6.489   2.600
    4   1HA   GLY   1          2HA       GLY   1   8.263  -4.024   3.895
    5   2HA   GLY   1          1HA       GLY   1   9.973  -4.436   3.878
    6    H    SER   2           H        SER   2  11.039  -3.412   2.333
    7    HA   SER   2           HA       SER   2   9.765  -2.123   0.159
    8   1HB   SER   2          1HB       SER   2  12.587  -2.473  -0.278
    9   2HB   SER   2          2HB       SER   2  11.707  -0.999   0.133
   10    HG   SER   2           HG       SER   2  12.131  -1.294   2.219
   11    H    THR   3           H        THR   3  11.165  -5.233   0.564
   12    HA   THR   3           HA       THR   3  11.223  -5.757  -2.304
   13    HB   THR   3           HB       THR   3  11.827  -7.937  -0.398
   14    HG1  THR   3           1HG      THR   3  13.620  -7.004   0.427
   15   1HG2  THR   3          1HG2      THR   3  12.879  -8.707  -2.205
   16   2HG2  THR   3          2HG2      THR   3  13.931  -7.292  -2.225
   17   3HG2  THR   3          3HG2      THR   3  12.393  -7.260  -3.089
   18    H    GLY   4           H        GLY   4   8.846  -5.591  -0.246
   19   1HA   GLY   4          1HA       GLY   4   7.468  -7.970  -1.315
   20   2HA   GLY   4          2HA       GLY   4   7.257  -7.450   0.351
   21    H    ILE   5           H        ILE   5   7.249  -5.824  -2.804
   22    HA   ILE   5           HA       ILE   5   5.055  -4.130  -2.001
   23    HB   ILE   5           HB       ILE   5   6.529  -4.397  -4.627
   24   1HG1  ILE   5          2HG1      ILE   5   8.006  -3.400  -3.118
   25   2HG1  ILE   5          1HG1      ILE   5   7.246  -2.016  -3.903
   26   1HG2  ILE   5          1HG2      ILE   5   5.229  -2.817  -5.603
   27   2HG2  ILE   5          2HG2      ILE   5   4.021  -3.520  -4.527
   28   3HG2  ILE   5          3HG2      ILE   5   4.844  -2.027  -4.075
   29   1HD1  ILE   5          1HD1      ILE   5   7.322  -1.500  -1.618
   30   2HD1  ILE   5          2HD1      ILE   5   5.650  -1.962  -1.937
   31   3HD1  ILE   5          3HD1      ILE   5   6.744  -3.101  -1.151
   32    H    LYS   6           H        LYS   6   2.949  -4.338  -2.558
   33    HA   LYS   6           HA       LYS   6   2.221  -6.822  -3.961
   34   1HB   LYS   6          1HB       LYS   6   0.940  -5.213  -1.793
   35   2HB   LYS   6          2HB       LYS   6  -0.064  -6.213  -2.836
   36   1HG   LYS   6          1HG       LYS   6   0.472  -8.032  -1.691
   37   2HG   LYS   6          2HG       LYS   6   2.193  -7.730  -1.944
   38   1HD   LYS   6          1HD       LYS   6   1.634  -5.888  -0.043
   39   2HD   LYS   6          2HD       LYS   6   0.489  -7.167   0.391
   40   1HE   LYS   6          2HE       LYS   6   2.635  -8.688   0.039
   41   2HE   LYS   6          1HE       LYS   6   3.464  -7.176   0.419
   42   1HZ   LYS   6          1HZ       LYS   6   1.529  -8.661   2.107
   43   2HZ   LYS   6          2HZ       LYS   6   1.995  -7.064   2.437
   44   3HZ   LYS   6          3HZ       LYS   6   3.153  -8.301   2.449
   45    HA   PRO   7           HA       PRO   7   0.487  -4.970  -7.448
   46   1HB   PRO   7          1HB       PRO   7  -2.064  -6.085  -7.521
   47   2HB   PRO   7          2HB       PRO   7  -0.593  -6.827  -8.155
   48   1HG   PRO   7          1HG       PRO   7  -1.980  -7.288  -5.556
   49   2HG   PRO   7          2HG       PRO   7  -1.137  -8.442  -6.604
   50   1HD   PRO   7          1HD       PRO   7  -0.025  -7.525  -4.352
   51   2HD   PRO   7          2HD       PRO   7   0.943  -7.846  -5.804
   52    H    PHE   8           H        PHE   8  -1.213  -4.617  -4.479
   53    HA   PHE   8           HA       PHE   8  -2.567  -2.225  -5.532
   54   1HB   PHE   8          1HB       PHE   8  -3.489  -3.877  -3.176
   55   2HB   PHE   8          2HB       PHE   8  -4.368  -2.590  -3.995
   56    HD1  PHE   8           1HD      PHE   8  -3.499  -6.108  -4.008
   57    HD2  PHE   8           2HD      PHE   8  -5.293  -2.965  -6.247
   58    HE1  PHE   8           1HE      PHE   8  -4.585  -7.766  -5.464
   59    HE2  PHE   8           2HE      PHE   8  -6.375  -4.620  -7.711
   60    HZ   PHE   8           HZ       PHE   8  -6.017  -7.024  -7.324
   61    H    GLN   9           H        GLN   9  -1.123  -0.680  -4.975
   62    HA   GLN   9           HA       GLN   9  -0.058  -0.716  -2.239
   63   1HB   GLN   9          1HB       GLN   9   1.071  -0.208  -4.851
   64   2HB   GLN   9          2HB       GLN   9   1.375   1.142  -3.766
   65   1HG   GLN   9          1HG       GLN   9   1.895  -1.210  -2.318
   66   2HG   GLN   9          2HG       GLN   9   2.661  -1.391  -3.897
   67   1HE2  GLN   9          1HE2      GLN   9   2.200   1.144  -1.456
   68   2HE2  GLN   9          2HE2      GLN   9   3.829   1.731  -1.513
   69    H    CYS  10           H        CYS  10  -0.158   1.037  -0.924
   70    HA   CYS  10           HA       CYS  10  -2.023   3.166  -1.617
   71   1HB   CYS  10          1HB       CYS  10  -2.343   2.600   0.623
   72   2HB   CYS  10          2HB       CYS  10  -0.635   2.289   0.896
   73    HA   PRO  11           HA       PRO  11   1.434   5.745  -2.792
   74   1HB   PRO  11          1HB       PRO  11   0.054   7.818  -3.719
   75   2HB   PRO  11          2HB       PRO  11   0.024   6.262  -4.556
   76   1HG   PRO  11          1HG       PRO  11  -2.027   7.490  -2.768
   77   2HG   PRO  11          2HG       PRO  11  -2.247   6.535  -4.245
   78   1HD   PRO  11          1HD       PRO  11  -2.442   5.561  -1.635
   79   2HD   PRO  11          2HD       PRO  11  -2.229   4.576  -3.095
   80    H    ASP  12           H        ASP  12  -0.456   6.072  -0.099
   81    HA   ASP  12           HA       ASP  12   0.559   8.759   0.560
   82   1HB   ASP  12          1HB       ASP  12  -1.945   8.026   0.746
   83   2HB   ASP  12          2HB       ASP  12  -1.419   7.276   2.250
   84    H    CYS  13           H        CYS  13   0.121   5.585   2.124
   85    HA   CYS  13           HA       CYS  13   2.216   6.311   4.056
   86   1HB   CYS  13          1HB       CYS  13   0.638   3.786   4.260
   87   2HB   CYS  13          2HB       CYS  13   1.295   4.798   5.539
   88    H    ASP  14           H        ASP  14   1.803   4.717   1.201
   89    HA   ASP  14           HA       ASP  14   3.095   3.328  -0.055
   90   1HB   ASP  14          1HB       ASP  14   4.988   4.560   1.378
   91   2HB   ASP  14          2HB       ASP  14   5.167   2.941   2.045
   92    H    TRP  15           H        TRP  15   1.066   2.505   1.764
   93    HA   TRP  15           HA       TRP  15   1.808   0.010   2.978
   94   1HB   TRP  15          1HB       TRP  15  -0.633   1.622   2.644
   95   2HB   TRP  15          2HB       TRP  15  -0.919  -0.111   2.581
   96    HD1  TRP  15           HD       TRP  15  -0.265   2.706   4.967
   97    HE1  TRP  15           1HE      TRP  15  -0.231   1.802   7.379
   98    HE3  TRP  15           3HE      TRP  15  -0.195  -2.307   3.959
   99    HZ2  TRP  15           2HZ      TRP  15  -0.178  -0.706   8.681
  100    HZ3  TRP  15           3HZ      TRP  15  -0.159  -3.891   5.842
  101    HH2  TRP  15           HH       TRP  15  -0.150  -3.106   8.154
  102    H    SER  16           H        SER  16   1.153  -2.097   2.183
  103    HA   SER  16           HA       SER  16   0.445  -2.149  -0.663
  104   1HB   SER  16          1HB       SER  16   2.556  -3.963   0.525
  105   2HB   SER  16          2HB       SER  16   2.124  -3.779  -1.175
  106    HG   SER  16           HG       SER  16   2.851  -1.429   0.029
  107    H    PHE  17           H        PHE  17  -1.142  -3.505  -1.116
  108    HA   PHE  17           HA       PHE  17  -1.824  -5.583   0.863
  109   1HB   PHE  17          1HB       PHE  17  -3.747  -3.850  -0.707
  110   2HB   PHE  17          2HB       PHE  17  -4.194  -5.119   0.427
  111    HD1  PHE  17           1HD      PHE  17  -2.785  -1.748   0.093
  112    HD2  PHE  17           2HD      PHE  17  -4.125  -4.759   2.784
  113    HE1  PHE  17           1HE      PHE  17  -2.755  -0.109   1.923
  114    HE2  PHE  17           2HE      PHE  17  -4.098  -3.128   4.628
  115    HZ   PHE  17           HZ       PHE  17  -3.418  -0.797   4.198
  116    H    SER  18           H        SER  18  -2.420  -7.539   0.070
  117    HA   SER  18           HA       SER  18  -1.845  -8.052  -2.717
  118   1HB   SER  18          1HB       SER  18  -2.846 -10.391  -1.542
  119   2HB   SER  18          2HB       SER  18  -1.145  -9.957  -1.738
  120    HG   SER  18           HG       SER  18  -2.641 -10.106   0.524
  121    H    ARG  19           H        ARG  19  -4.550  -7.309  -0.819
  122    HA   ARG  19           HA       ARG  19  -6.385  -8.237  -2.943
  123   1HB   ARG  19          1HB       ARG  19  -6.549  -8.362   0.001
  124   2HB   ARG  19          2HB       ARG  19  -7.999  -7.752  -0.787
  125   1HG   ARG  19          1HG       ARG  19  -6.921 -10.141  -2.055
  126   2HG   ARG  19          2HG       ARG  19  -7.388 -10.386  -0.371
  127   1HD   ARG  19          1HD       ARG  19  -9.136  -9.187  -2.512
  128   2HD   ARG  19          2HD       ARG  19  -9.223 -10.854  -1.944
  129    HE   ARG  19           HE       ARG  19  -9.686  -8.576  -0.126
  130   1HH1  ARG  19          2HH1      ARG  19 -10.727 -11.579  -1.586
  131   2HH1  ARG  19          1HH1      ARG  19 -12.059 -11.800  -0.490
  132   1HH2  ARG  19          2HH2      ARG  19 -11.454  -8.802   1.265
  133   2HH2  ARG  19          1HH2      ARG  19 -12.507 -10.186   1.115
  134    H    SER  20           H        SER  20  -7.547  -6.887  -3.933
  135    HA   SER  20           HA       SER  20  -7.068  -4.149  -3.842
  136   1HB   SER  20          1HB       SER  20  -8.928  -4.093  -5.436
  137   2HB   SER  20          2HB       SER  20  -7.805  -5.371  -5.817
  138    HG   SER  20           HG       SER  20 -10.345  -5.636  -5.592
  139    H    ASP  21           H        ASP  21  -9.596  -6.157  -2.464
  140    HA   ASP  21           HA       ASP  21 -11.299  -4.144  -1.503
  141   1HB   ASP  21          1HB       ASP  21 -12.425  -6.080  -1.183
  142   2HB   ASP  21          2HB       ASP  21 -10.938  -7.021  -1.152
  143    H    HIS  22           H        HIS  22  -8.439  -5.658  -0.122
  144    HA   HIS  22           HA       HIS  22  -8.665  -4.434   2.433
  145   1HB   HIS  22          1HB       HIS  22  -6.641  -6.028   0.992
  146   2HB   HIS  22          2HB       HIS  22  -6.019  -4.959   2.241
  147    HD1  HIS  22           1HD      HIS  22  -5.472  -6.607   4.049
  148    HD2  HIS  22           2HD      HIS  22  -9.318  -7.095   2.534
  149    HE1  HIS  22           1HE      HIS  22  -6.604  -8.231   5.595
  150    HE2  HIS  22           2HE      HIS  22  -8.994  -8.309   4.810
  151    H    LEU  23           H        LEU  23  -6.946  -3.609  -0.550
  152    HA   LEU  23           HA       LEU  23  -5.648  -1.328   0.516
  153   1HB   LEU  23          1HB       LEU  23  -4.837  -2.291  -1.535
  154   2HB   LEU  23          2HB       LEU  23  -6.389  -2.044  -2.319
  155    HG   LEU  23           HG       LEU  23  -5.995   0.457  -1.888
  156   1HD1  LEU  23          1HD1      LEU  23  -3.889  -0.403  -0.443
  157   2HD1  LEU  23          2HD1      LEU  23  -3.105  -0.042  -1.983
  158   3HD1  LEU  23          3HD1      LEU  23  -4.021   1.211  -1.144
  159   1HD2  LEU  23          1HD2      LEU  23  -5.378   0.620  -4.034
  160   2HD2  LEU  23          2HD2      LEU  23  -3.939  -0.372  -3.801
  161   3HD2  LEU  23          3HD2      LEU  23  -5.511  -1.137  -4.028
  162    H    ALA  24           H        ALA  24  -8.737  -1.823  -1.149
  163    HA   ALA  24           HA       ALA  24  -9.456   0.905  -1.267
  164   1HB   ALA  24          1HB       ALA  24 -11.847  -0.472  -1.105
  165   2HB   ALA  24          2HB       ALA  24 -10.960  -0.087  -2.578
  166   3HB   ALA  24          3HB       ALA  24 -10.728  -1.650  -1.796
  167    H    LEU  25           H        LEU  25  -9.853  -1.586   1.186
  168    HA   LEU  25           HA       LEU  25 -11.531  -0.130   2.949
  169   1HB   LEU  25          1HB       LEU  25  -9.653  -2.438   3.232
  170   2HB   LEU  25          2HB       LEU  25 -10.245  -1.649   4.681
  171    HG   LEU  25           HG       LEU  25 -12.064  -2.777   2.557
  172   1HD1  LEU  25          1HD1      LEU  25 -11.623  -4.143   5.161
  173   2HD1  LEU  25          2HD1      LEU  25 -12.142  -4.799   3.608
  174   3HD1  LEU  25          3HD1      LEU  25 -10.449  -4.384   3.869
  175   1HD2  LEU  25          1HD2      LEU  25 -13.802  -2.237   3.903
  176   2HD2  LEU  25          2HD2      LEU  25 -12.866  -2.443   5.385
  177   3HD2  LEU  25          3HD2      LEU  25 -12.685  -0.976   4.424
  178    H    HIS  26           H        HIS  26  -8.121  -0.092   2.287
  179    HA   HIS  26           HA       HIS  26  -7.496   1.480   4.626
  180   1HB   HIS  26          1HB       HIS  26  -5.871  -0.149   3.933
  181   2HB   HIS  26          2HB       HIS  26  -5.850   0.491   2.293
  182    HD1  HIS  26           1HD      HIS  26  -4.892   1.592   5.811
  183    HD2  HIS  26           2HD      HIS  26  -3.960   2.333   1.830
  184    HE1  HIS  26           1HE      HIS  26  -2.983   3.257   5.819
  185    H    ARG  27           H        ARG  27  -7.802   1.974   1.136
  186    HA   ARG  27           HA       ARG  27  -6.865   4.694   1.383
  187   1HB   ARG  27          1HB       ARG  27  -7.863   3.185  -1.029
  188   2HB   ARG  27          2HB       ARG  27  -7.138   4.783  -1.069
  189   1HG   ARG  27          1HG       ARG  27  -5.287   3.284   0.301
  190   2HG   ARG  27          2HG       ARG  27  -5.889   2.168  -0.919
  191   1HD   ARG  27          1HD       ARG  27  -3.889   3.969  -1.309
  192   2HD   ARG  27          2HD       ARG  27  -4.879   3.261  -2.590
  193    HE   ARG  27           HE       ARG  27  -5.512   5.873  -1.358
  194   1HH1  ARG  27          2HH1      ARG  27  -5.056   3.830  -4.167
  195   2HH1  ARG  27          1HH1      ARG  27  -5.424   5.093  -5.301
  196   1HH2  ARG  27          2HH2      ARG  27  -5.993   7.532  -2.851
  197   2HH2  ARG  27          1HH2      ARG  27  -5.976   7.189  -4.556
  198    H    LYS  28           H        LYS  28  -9.859   3.276   1.823
  199    HA   LYS  28           HA       LYS  28 -11.455   5.336   0.660
  200   1HB   LYS  28          1HB       LYS  28 -13.315   4.393   1.937
  201   2HB   LYS  28          2HB       LYS  28 -12.432   3.147   1.073
  202   1HG   LYS  28          1HG       LYS  28 -11.337   2.470   3.130
  203   2HG   LYS  28          2HG       LYS  28 -12.156   3.768   4.007
  204   1HD   LYS  28          1HD       LYS  28 -14.333   2.727   3.232
  205   2HD   LYS  28          2HD       LYS  28 -13.376   1.337   2.716
  206   1HE   LYS  28          2HE       LYS  28 -14.183   0.816   4.873
  207   2HE   LYS  28          1HE       LYS  28 -12.484   1.236   5.078
  208   1HZ   LYS  28          1HZ       LYS  28 -14.874   2.817   5.802
  209   2HZ   LYS  28          2HZ       LYS  28 -13.367   3.564   5.590
  210   3HZ   LYS  28          3HZ       LYS  28 -13.560   2.367   6.774
  211    H    ARG  29           H        ARG  29  -9.794   4.907   3.664
  212    HA   ARG  29           HA       ARG  29 -11.018   7.227   4.871
  213   1HB   ARG  29          1HB       ARG  29  -9.318   6.810   6.679
  214   2HB   ARG  29          2HB       ARG  29 -10.480   5.523   6.431
  215   1HG   ARG  29          1HG       ARG  29  -8.872   4.053   6.024
  216   2HG   ARG  29          2HG       ARG  29  -8.123   5.109   4.827
  217   1HD   ARG  29          1HD       ARG  29  -7.062   4.400   7.279
  218   2HD   ARG  29          2HD       ARG  29  -6.511   5.717   6.245
  219    HE   ARG  29           HE       ARG  29  -8.539   6.107   8.360
  220   1HH1  ARG  29          2HH1      ARG  29  -5.516   7.002   6.837
  221   2HH1  ARG  29          1HH1      ARG  29  -5.407   8.521   7.669
  222   1HH2  ARG  29          2HH2      ARG  29  -8.394   8.088   9.459
  223   2HH2  ARG  29          1HH2      ARG  29  -7.048   9.154   9.150
  224    H    HIS  30           H        HIS  30  -9.060   6.902   2.401
  225    HA   HIS  30           HA       HIS  30  -7.204   9.064   3.128
  226   1HB   HIS  30          1HB       HIS  30  -7.188   6.943   1.008
  227   2HB   HIS  30          2HB       HIS  30  -6.305   8.438   0.731
  228    HD1  HIS  30           1HD      HIS  30  -5.380   8.633   3.837
  229    HD2  HIS  30           2HD      HIS  30  -4.878   5.445   1.204
  230    HE1  HIS  30           1HE      HIS  30  -3.442   7.270   4.719
  231    H    MET  31           H        MET  31 -10.206   8.742   2.039
  232    HA   MET  31           HA       MET  31 -10.134  10.445  -0.281
  233   1HB   MET  31          1HB       MET  31 -12.372   9.256   1.354
  234   2HB   MET  31          2HB       MET  31 -12.669  10.359   0.019
  235   1HG   MET  31          1HG       MET  31 -11.783   8.846  -1.557
  236   2HG   MET  31          2HG       MET  31 -11.084   7.830  -0.300
  237   1HE   MET  31          1HE       MET  31 -12.425   6.416  -2.440
  238   2HE   MET  31          2HE       MET  31 -12.199   5.455  -0.979
  239   3HE   MET  31          3HE       MET  31 -13.760   5.454  -1.801
  240    H    LEU  32           H        LEU  32  -9.974  10.962   3.003
  241    HA   LEU  32           HA       LEU  32 -10.060  12.792   4.335
  242   1HB   LEU  32          1HB       LEU  32 -10.059  14.098   1.642
  243   2HB   LEU  32          2HB       LEU  32 -10.331  15.066   3.076
  244    HG   LEU  32           HG       LEU  32  -8.094  15.335   2.975
  245   1HD1  LEU  32          1HD1      LEU  32  -8.414  14.081   5.036
  246   2HD1  LEU  32          2HD1      LEU  32  -8.160  12.570   4.166
  247   3HD1  LEU  32          3HD1      LEU  32  -6.844  13.732   4.318
  248   1HD2  LEU  32          1HD2      LEU  32  -8.313  13.474   0.931
  249   2HD2  LEU  32          2HD2      LEU  32  -6.887  14.418   1.359
  250   3HD2  LEU  32          3HD2      LEU  32  -7.103  12.798   2.023
  251    H    VAL  33           H        VAL  33 -12.325  11.335   4.046
  252    HA   VAL  33           HA       VAL  33 -14.343  13.336   4.633
  253    HB   VAL  33           HB       VAL  33 -14.505  12.615   2.153
  254   1HG1  VAL  33          1HG1      VAL  33 -14.483  10.085   3.221
  255   2HG1  VAL  33          2HG1      VAL  33 -16.188  10.354   2.862
  256   3HG1  VAL  33          3HG1      VAL  33 -14.982  10.515   1.586
  257   1HG2  VAL  33          1HG2      VAL  33 -16.256  13.753   3.644
  258   2HG2  VAL  33          2HG2      VAL  33 -16.805  12.984   2.152
  259   3HG2  VAL  33          3HG2      VAL  33 -17.030  12.170   3.701
  Start of MODEL   11
    1   1H    GLY   1          1H        GLY   1  16.355  -3.585   0.232
    2   2H    GLY   1          2H        GLY   1  17.803  -3.075  -0.486
    3   3H    GLY   1          3H        GLY   1  17.736  -4.567   0.321
    4   1HA   GLY   1          2HA       GLY   1  17.538  -4.324  -2.312
    5   2HA   GLY   1          1HA       GLY   1  16.810  -5.638  -1.397
    6    H    SER   2           H        SER   2  15.116  -5.924  -2.844
    7    HA   SER   2           HA       SER   2  13.418  -3.798  -3.684
    8   1HB   SER   2          1HB       SER   2  12.397  -6.589  -3.624
    9   2HB   SER   2          2HB       SER   2  12.353  -5.401  -4.929
   10    HG   SER   2           HG       SER   2  14.032  -6.372  -5.710
   11    H    THR   3           H        THR   3  11.310  -3.327  -3.003
   12    HA   THR   3           HA       THR   3  10.871  -3.727  -0.171
   13    HB   THR   3           HB       THR   3   8.755  -2.378  -1.698
   14    HG1  THR   3           1HG      THR   3  11.428  -1.352  -1.699
   15   1HG2  THR   3          1HG2      THR   3  10.245  -2.091   0.820
   16   2HG2  THR   3          2HG2      THR   3   8.554  -1.744   0.460
   17   3HG2  THR   3          3HG2      THR   3   9.803  -0.567   0.051
   18    H    GLY   4           H        GLY   4   8.510  -4.176   0.505
   19   1HA   GLY   4          1HA       GLY   4   7.709  -6.679  -0.755
   20   2HA   GLY   4          2HA       GLY   4   7.096  -6.029   0.761
   21    H    ILE   5           H        ILE   5   7.291  -4.797  -2.551
   22    HA   ILE   5           HA       ILE   5   4.835  -3.407  -2.360
   23    HB   ILE   5           HB       ILE   5   6.435  -4.127  -4.819
   24   1HG1  ILE   5          2HG1      ILE   5   7.759  -2.823  -3.246
   25   2HG1  ILE   5          1HG1      ILE   5   7.313  -1.816  -4.623
   26   1HG2  ILE   5          1HG2      ILE   5   4.829  -3.204  -6.030
   27   2HG2  ILE   5          2HG2      ILE   5   3.870  -2.947  -4.573
   28   3HG2  ILE   5          3HG2      ILE   5   4.994  -1.704  -5.119
   29   1HD1  ILE   5          1HD1      ILE   5   5.281  -1.375  -2.817
   30   2HD1  ILE   5          2HD1      ILE   5   6.721  -1.489  -1.807
   31   3HD1  ILE   5          3HD1      ILE   5   6.659  -0.318  -3.127
   32    H    LYS   6           H        LYS   6   2.867  -4.129  -2.564
   33    HA   LYS   6           HA       LYS   6   2.356  -6.691  -3.925
   34   1HB   LYS   6          1HB       LYS   6   0.937  -5.198  -1.744
   35   2HB   LYS   6          2HB       LYS   6   0.066  -6.351  -2.749
   36   1HG   LYS   6          1HG       LYS   6   1.129  -8.150  -1.864
   37   2HG   LYS   6          2HG       LYS   6   2.616  -7.256  -1.542
   38   1HD   LYS   6          1HD       LYS   6   1.579  -6.154   0.351
   39   2HD   LYS   6          2HD       LYS   6   0.041  -6.949   0.000
   40   1HE   LYS   6          2HE       LYS   6   0.751  -8.974   0.783
   41   2HE   LYS   6          1HE       LYS   6   2.441  -8.654   0.394
   42   1HZ   LYS   6          1HZ       LYS   6   2.136  -8.655   2.764
   43   2HZ   LYS   6          2HZ       LYS   6   0.905  -7.491   2.657
   44   3HZ   LYS   6          3HZ       LYS   6   2.505  -7.078   2.259
   45    HA   PRO   7           HA       PRO   7   0.453  -4.960  -7.390
   46   1HB   PRO   7          1HB       PRO   7  -2.100  -6.130  -7.291
   47   2HB   PRO   7          2HB       PRO   7  -0.669  -6.798  -8.078
   48   1HG   PRO   7          1HG       PRO   7  -1.832  -7.419  -5.414
   49   2HG   PRO   7          2HG       PRO   7  -0.968  -8.477  -6.543
   50   1HD   PRO   7          1HD       PRO   7   0.189  -7.555  -4.313
   51   2HD   PRO   7          2HD       PRO   7   1.106  -7.772  -5.816
   52    H    PHE   8           H        PHE   8  -1.269  -4.730  -4.388
   53    HA   PHE   8           HA       PHE   8  -2.593  -2.288  -5.360
   54   1HB   PHE   8          1HB       PHE   8  -3.539  -4.026  -3.079
   55   2HB   PHE   8          2HB       PHE   8  -4.407  -2.700  -3.848
   56    HD1  PHE   8           1HD      PHE   8  -5.415  -2.979  -6.038
   57    HD2  PHE   8           2HD      PHE   8  -3.429  -6.200  -4.087
   58    HE1  PHE   8           1HE      PHE   8  -6.479  -4.566  -7.585
   59    HE2  PHE   8           2HE      PHE   8  -4.504  -7.790  -5.628
   60    HZ   PHE   8           HZ       PHE   8  -6.015  -6.975  -7.390
   61    H    GLN   9           H        GLN   9  -1.196  -0.750  -4.731
   62    HA   GLN   9           HA       GLN   9  -0.294  -0.818  -1.933
   63   1HB   GLN   9          1HB       GLN   9   1.760  -0.888  -2.768
   64   2HB   GLN   9          2HB       GLN   9   1.168  -0.630  -4.402
   65   1HG   GLN   9          1HG       GLN   9   1.907   1.436  -4.405
   66   2HG   GLN   9          2HG       GLN   9   1.072   1.812  -2.908
   67   1HE2  GLN   9          1HE2      GLN   9   2.163   0.828  -0.939
   68   2HE2  GLN   9          2HE2      GLN   9   3.879   1.040  -0.847
   69    H    CYS  10           H        CYS  10  -0.294   1.042  -0.740
   70    HA   CYS  10           HA       CYS  10  -2.077   3.137  -1.657
   71   1HB   CYS  10          1HB       CYS  10  -2.444   2.634   0.624
   72   2HB   CYS  10          2HB       CYS  10  -0.716   2.520   0.959
   73    HA   PRO  11           HA       PRO  11   1.430   5.561  -2.995
   74   1HB   PRO  11          1HB       PRO  11   0.076   7.597  -4.048
   75   2HB   PRO  11          2HB       PRO  11   0.064   6.002  -4.810
   76   1HG   PRO  11          1HG       PRO  11  -2.014   7.293  -3.091
   77   2HG   PRO  11          2HG       PRO  11  -2.219   6.320  -4.558
   78   1HD   PRO  11          1HD       PRO  11  -2.510   5.362  -1.984
   79   2HD   PRO  11          2HD       PRO  11  -2.146   4.356  -3.399
   80    H    ASP  12           H        ASP  12  -0.375   5.983  -0.321
   81    HA   ASP  12           HA       ASP  12   0.644   8.692   0.222
   82   1HB   ASP  12          1HB       ASP  12  -1.905   7.925   0.384
   83   2HB   ASP  12          2HB       ASP  12  -1.388   7.420   1.989
   84    H    CYS  13           H        CYS  13   0.076   5.581   1.891
   85    HA   CYS  13           HA       CYS  13   2.134   6.348   3.850
   86   1HB   CYS  13          1HB       CYS  13   0.359   3.974   4.211
   87   2HB   CYS  13          2HB       CYS  13   1.072   5.027   5.427
   88    H    ASP  14           H        ASP  14   1.894   4.570   1.100
   89    HA   ASP  14           HA       ASP  14   3.182   2.976   0.113
   90   1HB   ASP  14          1HB       ASP  14   4.999   4.192   1.656
   91   2HB   ASP  14          2HB       ASP  14   4.990   2.618   2.443
   92    H    TRP  15           H        TRP  15   0.938   2.408   1.883
   93    HA   TRP  15           HA       TRP  15   1.485  -0.093   3.198
   94   1HB   TRP  15          1HB       TRP  15  -0.884   1.599   2.668
   95   2HB   TRP  15          2HB       TRP  15  -1.196  -0.128   2.755
   96    HD1  TRP  15           HD       TRP  15  -0.235   2.850   4.889
   97    HE1  TRP  15           1HE      TRP  15  -0.361   2.190   7.376
   98    HE3  TRP  15           3HE      TRP  15  -0.930  -2.183   4.337
   99    HZ2  TRP  15           2HZ      TRP  15  -0.716  -0.169   8.893
  100    HZ3  TRP  15           3HZ      TRP  15  -1.158  -3.568   6.353
  101    HH2  TRP  15           HH       TRP  15  -1.046  -2.583   8.582
  102    H    SER  16           H        SER  16   1.059  -2.165   2.373
  103    HA   SER  16           HA       SER  16   0.420  -2.245  -0.497
  104   1HB   SER  16          1HB       SER  16   2.432  -4.125   0.707
  105   2HB   SER  16          2HB       SER  16   2.217  -3.659  -0.981
  106    HG   SER  16           HG       SER  16   2.797  -1.567   0.714
  107    H    PHE  17           H        PHE  17  -1.139  -3.569  -1.005
  108    HA   PHE  17           HA       PHE  17  -1.887  -5.703   0.887
  109   1HB   PHE  17          1HB       PHE  17  -3.775  -3.980  -0.735
  110   2HB   PHE  17          2HB       PHE  17  -4.228  -5.230   0.417
  111    HD1  PHE  17           1HD      PHE  17  -4.175  -4.835   2.766
  112    HD2  PHE  17           2HD      PHE  17  -2.885  -1.847   0.021
  113    HE1  PHE  17           1HE      PHE  17  -4.216  -3.164   4.571
  114    HE2  PHE  17           2HE      PHE  17  -2.925  -0.167   1.816
  115    HZ   PHE  17           HZ       PHE  17  -3.594  -0.829   4.096
  116    H    SER  18           H        SER  18  -2.467  -7.631   0.025
  117    HA   SER  18           HA       SER  18  -1.801  -8.084  -2.752
  118   1HB   SER  18          1HB       SER  18  -2.928 -10.352  -1.299
  119   2HB   SER  18          2HB       SER  18  -1.325 -10.170  -2.020
  120    HG   SER  18           HG       SER  18  -1.555 -10.380   0.411
  121    H    ARG  19           H        ARG  19  -4.516  -7.239  -0.992
  122    HA   ARG  19           HA       ARG  19  -6.334  -8.215  -3.111
  123   1HB   ARG  19          1HB       ARG  19  -6.528  -8.385  -0.186
  124   2HB   ARG  19          2HB       ARG  19  -7.943  -7.663  -0.935
  125   1HG   ARG  19          1HG       ARG  19  -8.374  -9.583  -2.220
  126   2HG   ARG  19          2HG       ARG  19  -6.794 -10.280  -1.850
  127   1HD   ARG  19          1HD       ARG  19  -8.489 -11.389  -0.547
  128   2HD   ARG  19          2HD       ARG  19  -7.460 -10.434   0.520
  129    HE   ARG  19           HE       ARG  19  -9.472  -8.734   0.053
  130   1HH1  ARG  19          2HH1      ARG  19  -9.464 -12.111   0.938
  131   2HH1  ARG  19          1HH1      ARG  19 -10.970 -12.021   1.801
  132   1HH2  ARG  19          2HH2      ARG  19 -11.427  -8.584   1.213
  133   2HH2  ARG  19          1HH2      ARG  19 -12.116 -10.028   1.914
  134    H    SER  20           H        SER  20  -7.535  -6.918  -4.072
  135    HA   SER  20           HA       SER  20  -7.080  -4.183  -4.110
  136   1HB   SER  20          1HB       SER  20  -9.290  -4.383  -5.476
  137   2HB   SER  20          2HB       SER  20  -7.837  -5.170  -6.054
  138    HG   SER  20           HG       SER  20  -9.852  -6.456  -5.990
  139    H    ASP  21           H        ASP  21  -9.652  -6.111  -2.633
  140    HA   ASP  21           HA       ASP  21 -11.232  -3.962  -1.705
  141   1HB   ASP  21          1HB       ASP  21 -12.518  -5.795  -1.436
  142   2HB   ASP  21          2HB       ASP  21 -11.120  -6.856  -1.356
  143    H    HIS  22           H        HIS  22  -8.453  -5.643  -0.353
  144    HA   HIS  22           HA       HIS  22  -8.642  -4.498   2.241
  145   1HB   HIS  22          1HB       HIS  22  -6.594  -6.026   0.733
  146   2HB   HIS  22          2HB       HIS  22  -6.033  -5.069   2.098
  147    HD1  HIS  22           1HD      HIS  22  -5.520  -7.056   3.624
  148    HD2  HIS  22           2HD      HIS  22  -9.432  -7.007   2.209
  149    HE1  HIS  22           1HE      HIS  22  -6.758  -8.766   4.989
  150    HE2  HIS  22           2HE      HIS  22  -9.168  -8.517   4.294
  151    H    LEU  23           H        LEU  23  -6.948  -3.578  -0.719
  152    HA   LEU  23           HA       LEU  23  -5.591  -1.349   0.376
  153   1HB   LEU  23          1HB       LEU  23  -4.916  -2.290  -1.754
  154   2HB   LEU  23          2HB       LEU  23  -6.483  -1.918  -2.450
  155    HG   LEU  23           HG       LEU  23  -5.957   0.525  -1.999
  156   1HD1  LEU  23          1HD1      LEU  23  -4.212   0.372  -0.417
  157   2HD1  LEU  23          2HD1      LEU  23  -3.272  -0.704  -1.452
  158   3HD1  LEU  23          3HD1      LEU  23  -3.482   0.991  -1.899
  159   1HD2  LEU  23          1HD2      LEU  23  -4.953  -1.251  -4.061
  160   2HD2  LEU  23          2HD2      LEU  23  -5.710   0.336  -4.205
  161   3HD2  LEU  23          3HD2      LEU  23  -3.979   0.210  -3.894
  162    H    ALA  24           H        ALA  24  -8.704  -1.723  -1.271
  163    HA   ALA  24           HA       ALA  24  -9.438   1.000  -1.210
  164   1HB   ALA  24          1HB       ALA  24 -10.721  -1.542  -1.835
  165   2HB   ALA  24          2HB       ALA  24 -11.823  -0.356  -1.136
  166   3HB   ALA  24          3HB       ALA  24 -10.911   0.041  -2.592
  167    H    LEU  25           H        LEU  25  -9.738  -1.603   1.111
  168    HA   LEU  25           HA       LEU  25 -11.472  -0.309   2.942
  169   1HB   LEU  25          1HB       LEU  25 -10.658  -2.796   2.782
  170   2HB   LEU  25          2HB       LEU  25  -9.347  -2.240   3.802
  171    HG   LEU  25           HG       LEU  25 -11.974  -1.467   4.821
  172   1HD1  LEU  25          1HD1      LEU  25 -12.339  -3.875   5.649
  173   2HD1  LEU  25          2HD1      LEU  25 -12.850  -3.466   4.011
  174   3HD1  LEU  25          3HD1      LEU  25 -11.343  -4.346   4.271
  175   1HD2  LEU  25          1HD2      LEU  25  -9.395  -2.563   5.788
  176   2HD2  LEU  25          2HD2      LEU  25 -10.360  -1.220   6.403
  177   3HD2  LEU  25          3HD2      LEU  25 -10.828  -2.881   6.765
  178    H    HIS  26           H        HIS  26  -8.058  -0.152   2.332
  179    HA   HIS  26           HA       HIS  26  -7.493   1.324   4.763
  180   1HB   HIS  26          1HB       HIS  26  -5.757  -0.156   4.083
  181   2HB   HIS  26          2HB       HIS  26  -5.812   0.422   2.421
  182    HD1  HIS  26           1HD      HIS  26  -4.750   1.625   5.870
  183    HD2  HIS  26           2HD      HIS  26  -4.103   2.423   1.837
  184    HE1  HIS  26           1HE      HIS  26  -2.983   3.441   5.765
  185    H    ARG  27           H        ARG  27  -7.539   1.934   1.262
  186    HA   ARG  27           HA       ARG  27  -6.813   4.680   1.574
  187   1HB   ARG  27          1HB       ARG  27  -7.902   3.235  -0.846
  188   2HB   ARG  27          2HB       ARG  27  -7.184   4.835  -0.851
  189   1HG   ARG  27          1HG       ARG  27  -5.262   3.304   0.365
  190   2HG   ARG  27          2HG       ARG  27  -5.918   2.226  -0.867
  191   1HD   ARG  27          1HD       ARG  27  -4.006   4.195  -1.245
  192   2HD   ARG  27          2HD       ARG  27  -4.921   3.359  -2.503
  193    HE   ARG  27           HE       ARG  27  -5.575   6.004  -1.393
  194   1HH1  ARG  27          2HH1      ARG  27  -5.868   3.592  -3.898
  195   2HH1  ARG  27          1HH1      ARG  27  -6.729   4.637  -4.992
  196   1HH2  ARG  27          2HH2      ARG  27  -6.666   7.412  -2.849
  197   2HH2  ARG  27          1HH2      ARG  27  -7.153   6.813  -4.404
  198    H    LYS  28           H        LYS  28  -9.596   3.251   2.376
  199    HA   LYS  28           HA       LYS  28 -11.542   4.981   1.260
  200   1HB   LYS  28          1HB       LYS  28 -13.079   4.033   2.789
  201   2HB   LYS  28          2HB       LYS  28 -11.969   2.737   2.373
  202   1HG   LYS  28          1HG       LYS  28 -10.992   2.719   4.455
  203   2HG   LYS  28          2HG       LYS  28 -11.466   4.381   4.810
  204   1HD   LYS  28          1HD       LYS  28 -13.089   3.454   6.044
  205   2HD   LYS  28          2HD       LYS  28 -13.887   3.150   4.499
  206   1HE   LYS  28          2HE       LYS  28 -13.281   0.922   4.473
  207   2HE   LYS  28          1HE       LYS  28 -11.898   1.182   5.536
  208   1HZ   LYS  28          1HZ       LYS  28 -14.767   1.122   6.299
  209   2HZ   LYS  28          2HZ       LYS  28 -13.537   1.640   7.340
  210   3HZ   LYS  28          3HZ       LYS  28 -13.545   0.042   6.776
  211    H    ARG  29           H        ARG  29  -9.369   5.183   3.967
  212    HA   ARG  29           HA       ARG  29 -10.610   7.518   5.089
  213   1HB   ARG  29          1HB       ARG  29  -8.907   7.421   6.735
  214   2HB   ARG  29          2HB       ARG  29  -9.346   5.756   6.394
  215   1HG   ARG  29          1HG       ARG  29  -7.389   5.506   4.976
  216   2HG   ARG  29          2HG       ARG  29  -6.952   7.193   5.259
  217   1HD   ARG  29          1HD       ARG  29  -5.618   6.052   6.769
  218   2HD   ARG  29          2HD       ARG  29  -6.996   6.545   7.752
  219    HE   ARG  29           HE       ARG  29  -7.333   3.940   6.605
  220   1HH1  ARG  29          2HH1      ARG  29  -5.889   5.698   9.273
  221   2HH1  ARG  29          1HH1      ARG  29  -5.877   4.325  10.330
  222   1HH2  ARG  29          2HH2      ARG  29  -7.309   2.142   7.983
  223   2HH2  ARG  29          1HH2      ARG  29  -6.702   2.299   9.607
  224    H    HIS  30           H        HIS  30  -8.837   6.996   2.389
  225    HA   HIS  30           HA       HIS  30  -7.381   9.542   2.537
  226   1HB   HIS  30          1HB       HIS  30  -7.162   7.264   0.560
  227   2HB   HIS  30          2HB       HIS  30  -6.237   8.757   0.472
  228    HD1  HIS  30           1HD      HIS  30  -5.566   8.852   3.595
  229    HD2  HIS  30           2HD      HIS  30  -5.015   5.631   1.017
  230    HE1  HIS  30           1HE      HIS  30  -3.794   7.384   4.646
  231    H    MET  31           H        MET  31 -10.251   9.294   2.269
  232    HA   MET  31           HA       MET  31 -10.678  10.175  -0.504
  233   1HB   MET  31          1HB       MET  31 -12.513   8.981   1.564
  234   2HB   MET  31          2HB       MET  31 -13.125   9.758   0.112
  235   1HG   MET  31          1HG       MET  31 -11.572   8.150  -1.152
  236   2HG   MET  31          2HG       MET  31 -11.506   7.258   0.366
  237   1HE   MET  31          1HE       MET  31 -14.079   4.797  -0.385
  238   2HE   MET  31          2HE       MET  31 -12.664   5.096  -1.394
  239   3HE   MET  31          3HE       MET  31 -12.551   5.273   0.357
  240    H    LEU  32           H        LEU  32 -10.085  11.479   2.377
  241    HA   LEU  32           HA       LEU  32 -10.365  13.490   3.372
  242   1HB   LEU  32          1HB       LEU  32 -10.262  13.996   0.625
  243   2HB   LEU  32          2HB       LEU  32 -11.623  14.938   1.204
  244    HG   LEU  32           HG       LEU  32  -9.585  15.428   3.051
  245   1HD1  LEU  32          1HD1      LEU  32  -7.892  16.382   1.300
  246   2HD1  LEU  32          2HD1      LEU  32  -7.781  14.705   1.835
  247   3HD1  LEU  32          3HD1      LEU  32  -8.529  15.088   0.285
  248   1HD2  LEU  32          1HD2      LEU  32 -10.525  17.066   0.698
  249   2HD2  LEU  32          2HD2      LEU  32 -11.256  17.027   2.302
  250   3HD2  LEU  32          3HD2      LEU  32  -9.635  17.686   2.088
  251    H    VAL  33           H        VAL  33 -12.450  11.581   3.544
  252    HA   VAL  33           HA       VAL  33 -14.741  13.379   3.959
  253    HB   VAL  33           HB       VAL  33 -15.156  11.673   2.171
  254   1HG1  VAL  33          1HG1      VAL  33 -13.799   9.913   3.572
  255   2HG1  VAL  33          2HG1      VAL  33 -15.390   9.554   4.244
  256   3HG1  VAL  33          3HG1      VAL  33 -15.114   9.414   2.506
  257   1HG2  VAL  33          1HG2      VAL  33 -17.113  12.507   3.094
  258   2HG2  VAL  33          2HG2      VAL  33 -17.301  10.767   3.304
  259   3HG2  VAL  33          3HG2      VAL  33 -16.804  11.770   4.668
  Start of MODEL   12
    1   1H    GLY   1          1H        GLY   1  15.822  -1.270  -5.491
    2   2H    GLY   1          2H        GLY   1  14.706  -2.408  -6.068
    3   3H    GLY   1          3H        GLY   1  16.368  -2.678  -6.264
    4   1HA   GLY   1          2HA       GLY   1  16.660  -3.423  -4.184
    5   2HA   GLY   1          1HA       GLY   1  15.490  -2.284  -3.532
    6    H    SER   2           H        SER   2  15.509  -4.851  -2.613
    7    HA   SER   2           HA       SER   2  13.475  -6.353  -4.049
    8   1HB   SER   2          1HB       SER   2  14.251  -7.275  -1.362
    9   2HB   SER   2          2HB       SER   2  14.224  -8.154  -2.892
   10    HG   SER   2           HG       SER   2  16.225  -7.381  -3.389
   11    H    THR   3           H        THR   3  12.019  -4.400  -3.724
   12    HA   THR   3           HA       THR   3  11.033  -3.900  -1.091
   13    HB   THR   3           HB       THR   3   9.181  -2.885  -2.932
   14    HG1  THR   3           1HG      THR   3  10.244  -2.515  -4.727
   15   1HG2  THR   3          1HG2      THR   3  10.820  -1.964  -0.903
   16   2HG2  THR   3          2HG2      THR   3   9.680  -0.995  -1.838
   17   3HG2  THR   3          3HG2      THR   3  11.376  -1.074  -2.321
   18    H    GLY   4           H        GLY   4   9.227  -4.651  -0.107
   19   1HA   GLY   4          1HA       GLY   4   7.948  -6.980  -1.295
   20   2HA   GLY   4          2HA       GLY   4   7.765  -6.415   0.359
   21    H    ILE   5           H        ILE   5   7.228  -4.898  -2.796
   22    HA   ILE   5           HA       ILE   5   4.752  -3.748  -1.848
   23    HB   ILE   5           HB       ILE   5   5.848  -3.597  -4.652
   24   1HG1  ILE   5          2HG1      ILE   5   7.584  -2.859  -3.067
   25   2HG1  ILE   5          1HG1      ILE   5   6.952  -1.508  -4.012
   26   1HG2  ILE   5          1HG2      ILE   5   4.520  -1.620  -4.863
   27   2HG2  ILE   5          2HG2      ILE   5   3.487  -2.906  -4.242
   28   3HG2  ILE   5          3HG2      ILE   5   4.095  -1.659  -3.153
   29   1HD1  ILE   5          1HD1      ILE   5   7.351  -1.254  -1.459
   30   2HD1  ILE   5          2HD1      ILE   5   5.908  -0.560  -2.199
   31   3HD1  ILE   5          3HD1      ILE   5   5.801  -2.085  -1.323
   32    H    LYS   6           H        LYS   6   2.747  -4.301  -2.418
   33    HA   LYS   6           HA       LYS   6   2.367  -6.842  -3.834
   34   1HB   LYS   6          1HB       LYS   6   0.884  -5.317  -1.760
   35   2HB   LYS   6          2HB       LYS   6  -0.070  -6.254  -2.903
   36   1HG   LYS   6          1HG       LYS   6   0.269  -7.677  -1.078
   37   2HG   LYS   6          2HG       LYS   6   1.420  -8.223  -2.300
   38   1HD   LYS   6          1HD       LYS   6   3.216  -7.052  -1.190
   39   2HD   LYS   6          2HD       LYS   6   2.085  -6.364  -0.018
   40   1HE   LYS   6          2HE       LYS   6   1.640  -9.096   0.127
   41   2HE   LYS   6          1HE       LYS   6   3.389  -8.954  -0.051
   42   1HZ   LYS   6          1HZ       LYS   6   3.027  -7.111   1.770
   43   2HZ   LYS   6          2HZ       LYS   6   3.206  -8.745   2.188
   44   3HZ   LYS   6          3HZ       LYS   6   1.659  -8.048   2.127
   45    HA   PRO   7           HA       PRO   7   0.593  -5.310  -7.499
   46   1HB   PRO   7          1HB       PRO   7  -1.996  -6.383  -7.397
   47   2HB   PRO   7          2HB       PRO   7  -0.566  -7.169  -8.069
   48   1HG   PRO   7          1HG       PRO   7  -1.827  -7.502  -5.391
   49   2HG   PRO   7          2HG       PRO   7  -1.014  -8.698  -6.407
   50   1HD   PRO   7          1HD       PRO   7   0.177  -7.680  -4.256
   51   2HD   PRO   7          2HD       PRO   7   1.091  -8.037  -5.735
   52    H    PHE   8           H        PHE   8  -1.150  -4.807  -4.551
   53    HA   PHE   8           HA       PHE   8  -2.320  -2.357  -5.674
   54   1HB   PHE   8          1HB       PHE   8  -3.428  -3.901  -3.326
   55   2HB   PHE   8          2HB       PHE   8  -4.194  -2.579  -4.206
   56    HD1  PHE   8           1HD      PHE   8  -5.203  -2.942  -6.366
   57    HD2  PHE   8           2HD      PHE   8  -3.370  -6.141  -4.234
   58    HE1  PHE   8           1HE      PHE   8  -6.308  -4.559  -7.854
   59    HE2  PHE   8           2HE      PHE   8  -4.482  -7.763  -5.714
   60    HZ   PHE   8           HZ       PHE   8  -5.934  -6.976  -7.539
   61    H    GLN   9           H        GLN   9  -1.616  -0.529  -4.768
   62    HA   GLN   9           HA       GLN   9  -0.210  -0.705  -2.196
   63   1HB   GLN   9          1HB       GLN   9   1.637  -0.756  -3.508
   64   2HB   GLN   9          2HB       GLN   9   0.822   0.003  -4.868
   65   1HG   GLN   9          1HG       GLN   9   1.804   1.899  -4.386
   66   2HG   GLN   9          2HG       GLN   9   0.999   1.927  -2.825
   67   1HE2  GLN   9          1HE2      GLN   9   2.060   0.788  -1.068
   68   2HE2  GLN   9          2HE2      GLN   9   3.784   0.761  -1.017
   69    H    CYS  10           H        CYS  10  -0.359   0.984  -0.870
   70    HA   CYS  10           HA       CYS  10  -2.244   3.094  -1.463
   71   1HB   CYS  10          1HB       CYS  10  -2.484   2.557   0.769
   72   2HB   CYS  10          2HB       CYS  10  -0.807   2.061   0.935
   73    HA   PRO  11           HA       PRO  11   1.150   5.721  -2.713
   74   1HB   PRO  11          1HB       PRO  11  -0.285   7.773  -3.617
   75   2HB   PRO  11          2HB       PRO  11  -0.266   6.223  -4.465
   76   1HG   PRO  11          1HG       PRO  11  -2.367   7.399  -2.709
   77   2HG   PRO  11          2HG       PRO  11  -2.545   6.385  -4.149
   78   1HD   PRO  11          1HD       PRO  11  -2.693   5.520  -1.486
   79   2HD   PRO  11          2HD       PRO  11  -2.513   4.482  -2.914
   80    H    ASP  12           H        ASP  12  -0.639   6.033   0.037
   81    HA   ASP  12           HA       ASP  12   0.357   8.749   0.594
   82   1HB   ASP  12          1HB       ASP  12  -2.124   8.239   0.750
   83   2HB   ASP  12          2HB       ASP  12  -1.746   7.294   2.189
   84    H    CYS  13           H        CYS  13  -0.008   5.587   2.212
   85    HA   CYS  13           HA       CYS  13   2.103   6.400   4.101
   86   1HB   CYS  13          1HB       CYS  13   0.637   3.840   4.473
   87   2HB   CYS  13          2HB       CYS  13   1.230   4.979   5.675
   88    H    ASP  14           H        ASP  14   1.615   4.752   1.284
   89    HA   ASP  14           HA       ASP  14   2.895   3.381   0.005
   90   1HB   ASP  14          1HB       ASP  14   4.806   4.662   1.297
   91   2HB   ASP  14          2HB       ASP  14   5.015   3.108   2.097
   92    H    TRP  15           H        TRP  15   0.902   2.451   1.772
   93    HA   TRP  15           HA       TRP  15   1.780  -0.031   2.956
   94   1HB   TRP  15          1HB       TRP  15  -0.747   1.479   2.732
   95   2HB   TRP  15          2HB       TRP  15  -0.934  -0.269   2.704
   96    HD1  TRP  15           HD       TRP  15  -0.254   2.607   5.020
   97    HE1  TRP  15           1HE      TRP  15  -0.047   1.740   7.438
   98    HE3  TRP  15           3HE      TRP  15  -0.089  -2.410   4.063
   99    HZ2  TRP  15           2HZ      TRP  15   0.155  -0.746   8.756
  100    HZ3  TRP  15           3HZ      TRP  15   0.108  -3.967   5.958
  101    HH2  TRP  15           HH       TRP  15   0.230  -3.151   8.256
  102    H    SER  16           H        SER  16   1.183  -2.147   2.154
  103    HA   SER  16           HA       SER  16   0.431  -2.179  -0.690
  104   1HB   SER  16          1HB       SER  16   2.446  -4.131   0.392
  105   2HB   SER  16          2HB       SER  16   2.162  -3.638  -1.279
  106    HG   SER  16           HG       SER  16   2.860  -1.552   0.339
  107    H    PHE  17           H        PHE  17  -1.128  -3.574  -1.196
  108    HA   PHE  17           HA       PHE  17  -1.851  -5.636   0.783
  109   1HB   PHE  17          1HB       PHE  17  -3.742  -3.857  -0.775
  110   2HB   PHE  17          2HB       PHE  17  -4.224  -5.177   0.289
  111    HD1  PHE  17           1HD      PHE  17  -2.754  -1.824   0.141
  112    HD2  PHE  17           2HD      PHE  17  -4.219  -4.921   2.660
  113    HE1  PHE  17           1HE      PHE  17  -2.716  -0.270   2.045
  114    HE2  PHE  17           2HE      PHE  17  -4.191  -3.374   4.580
  115    HZ   PHE  17           HZ       PHE  17  -3.442  -1.048   4.269
  116    H    SER  18           H        SER  18  -2.396  -7.598   0.001
  117    HA   SER  18           HA       SER  18  -1.801  -8.171  -2.751
  118   1HB   SER  18          1HB       SER  18  -3.054 -10.371  -1.399
  119   2HB   SER  18          2HB       SER  18  -1.363 -10.192  -1.871
  120    HG   SER  18           HG       SER  18  -0.954 -10.003   0.172
  121    H    ARG  19           H        ARG  19  -4.551  -7.307  -0.974
  122    HA   ARG  19           HA       ARG  19  -6.334  -8.123  -3.189
  123   1HB   ARG  19          1HB       ARG  19  -6.581  -8.468  -0.290
  124   2HB   ARG  19          2HB       ARG  19  -7.967  -7.653  -0.999
  125   1HG   ARG  19          1HG       ARG  19  -8.487  -9.468  -2.366
  126   2HG   ARG  19          2HG       ARG  19  -6.897 -10.203  -2.146
  127   1HD   ARG  19          1HD       ARG  19  -8.507 -11.436  -0.859
  128   2HD   ARG  19          2HD       ARG  19  -7.448 -10.556   0.244
  129    HE   ARG  19           HE       ARG  19  -9.644  -8.929  -0.196
  130   1HH1  ARG  19          2HH1      ARG  19  -9.028 -12.092   1.165
  131   2HH1  ARG  19          1HH1      ARG  19 -10.393 -12.034   2.239
  132   1HH2  ARG  19          2HH2      ARG  19 -11.408  -8.816   1.239
  133   2HH2  ARG  19          1HH2      ARG  19 -11.767 -10.185   2.264
  134    H    SER  20           H        SER  20  -7.364  -6.705  -4.167
  135    HA   SER  20           HA       SER  20  -6.901  -3.971  -3.912
  136   1HB   SER  20          1HB       SER  20  -8.902  -3.990  -5.527
  137   2HB   SER  20          2HB       SER  20  -7.454  -4.849  -6.004
  138    HG   SER  20           HG       SER  20  -9.626  -5.937  -6.190
  139    H    ASP  21           H        ASP  21  -9.440  -6.094  -2.775
  140    HA   ASP  21           HA       ASP  21 -11.251  -4.133  -1.860
  141   1HB   ASP  21          1HB       ASP  21 -12.298  -6.159  -1.950
  142   2HB   ASP  21          2HB       ASP  21 -10.844  -7.049  -1.513
  143    H    HIS  22           H        HIS  22  -8.491  -5.738  -0.338
  144    HA   HIS  22           HA       HIS  22  -8.953  -4.600   2.249
  145   1HB   HIS  22          1HB       HIS  22  -6.839  -6.228   0.979
  146   2HB   HIS  22          2HB       HIS  22  -6.315  -5.193   2.299
  147    HD1  HIS  22           1HD      HIS  22  -6.002  -6.857   4.146
  148    HD2  HIS  22           2HD      HIS  22  -9.674  -7.273   2.232
  149    HE1  HIS  22           1HE      HIS  22  -7.307  -8.503   5.531
  150    HE2  HIS  22           2HE      HIS  22  -9.428  -8.905   4.232
  151    H    LEU  23           H        LEU  23  -7.062  -3.717  -0.578
  152    HA   LEU  23           HA       LEU  23  -5.707  -1.533   0.590
  153   1HB   LEU  23          1HB       LEU  23  -4.915  -2.447  -1.480
  154   2HB   LEU  23          2HB       LEU  23  -6.455  -2.148  -2.265
  155    HG   LEU  23           HG       LEU  23  -5.981   0.346  -1.801
  156   1HD1  LEU  23          1HD1      LEU  23  -4.192   0.247  -0.286
  157   2HD1  LEU  23          2HD1      LEU  23  -3.300  -0.891  -1.291
  158   3HD1  LEU  23          3HD1      LEU  23  -3.487   0.782  -1.811
  159   1HD2  LEU  23          1HD2      LEU  23  -5.624   0.331  -3.985
  160   2HD2  LEU  23          2HD2      LEU  23  -3.976  -0.242  -3.728
  161   3HD2  LEU  23          3HD2      LEU  23  -5.293  -1.399  -3.910
  162    H    ALA  24           H        ALA  24  -8.773  -1.848  -1.147
  163    HA   ALA  24           HA       ALA  24  -9.445   0.894  -1.150
  164   1HB   ALA  24          1HB       ALA  24 -11.828  -0.568  -1.018
  165   2HB   ALA  24          2HB       ALA  24 -11.015   0.034  -2.464
  166   3HB   ALA  24          3HB       ALA  24 -10.679  -1.597  -1.876
  167    H    LEU  25           H        LEU  25  -9.795  -1.662   1.205
  168    HA   LEU  25           HA       LEU  25 -11.527  -0.286   2.996
  169   1HB   LEU  25          1HB       LEU  25 -10.478  -2.833   2.810
  170   2HB   LEU  25          2HB       LEU  25  -9.668  -2.177   4.218
  171    HG   LEU  25           HG       LEU  25 -11.695  -1.889   5.392
  172   1HD1  LEU  25          1HD1      LEU  25 -13.363  -1.010   4.173
  173   2HD1  LEU  25          2HD1      LEU  25 -12.875  -1.859   2.706
  174   3HD1  LEU  25          3HD1      LEU  25 -13.828  -2.694   3.930
  175   1HD2  LEU  25          1HD2      LEU  25 -10.821  -4.299   4.804
  176   2HD2  LEU  25          2HD2      LEU  25 -12.328  -4.066   5.694
  177   3HD2  LEU  25          3HD2      LEU  25 -12.367  -4.410   3.964
  178    H    HIS  26           H        HIS  26  -8.127  -0.202   2.382
  179    HA   HIS  26           HA       HIS  26  -7.533   1.190   4.867
  180   1HB   HIS  26          1HB       HIS  26  -5.846  -0.358   4.241
  181   2HB   HIS  26          2HB       HIS  26  -5.849   0.191   2.569
  182    HD1  HIS  26           1HD      HIS  26  -4.667   1.266   6.003
  183    HD2  HIS  26           2HD      HIS  26  -4.118   2.217   1.992
  184    HE1  HIS  26           1HE      HIS  26  -2.824   2.997   5.919
  185    H    ARG  27           H        ARG  27  -7.934   1.823   1.451
  186    HA   ARG  27           HA       ARG  27  -6.919   4.521   1.725
  187   1HB   ARG  27          1HB       ARG  27  -8.040   3.074  -0.674
  188   2HB   ARG  27          2HB       ARG  27  -7.349   4.685  -0.708
  189   1HG   ARG  27          1HG       ARG  27  -5.401   3.158   0.515
  190   2HG   ARG  27          2HG       ARG  27  -6.042   2.104  -0.743
  191   1HD   ARG  27          1HD       ARG  27  -4.126   4.037  -1.097
  192   2HD   ARG  27          2HD       ARG  27  -5.109   3.304  -2.375
  193    HE   ARG  27           HE       ARG  27  -5.661   5.883  -1.065
  194   1HH1  ARG  27          2HH1      ARG  27  -6.000   3.701  -3.774
  195   2HH1  ARG  27          1HH1      ARG  27  -6.871   4.845  -4.756
  196   1HH2  ARG  27          2HH2      ARG  27  -6.780   7.403  -2.342
  197   2HH2  ARG  27          1HH2      ARG  27  -7.335   6.960  -3.925
  198    H    LYS  28           H        LYS  28  -9.526   3.538   2.957
  199    HA   LYS  28           HA       LYS  28 -11.619   5.037   1.745
  200   1HB   LYS  28          1HB       LYS  28 -11.282   4.139   4.615
  201   2HB   LYS  28          2HB       LYS  28 -12.765   4.781   3.919
  202   1HG   LYS  28          1HG       LYS  28 -12.342   2.793   2.201
  203   2HG   LYS  28          2HG       LYS  28 -11.513   2.123   3.607
  204   1HD   LYS  28          1HD       LYS  28 -13.716   1.343   3.800
  205   2HD   LYS  28          2HD       LYS  28 -13.627   2.711   4.913
  206   1HE   LYS  28          2HE       LYS  28 -14.370   3.785   2.428
  207   2HE   LYS  28          1HE       LYS  28 -15.333   2.322   2.632
  208   1HZ   LYS  28          1HZ       LYS  28 -15.276   4.753   4.290
  209   2HZ   LYS  28          2HZ       LYS  28 -15.745   3.275   4.981
  210   3HZ   LYS  28          3HZ       LYS  28 -16.611   3.908   3.668
  211    H    ARG  29           H        ARG  29  -9.349   5.637   4.397
  212    HA   ARG  29           HA       ARG  29 -10.140   8.364   4.740
  213   1HB   ARG  29          1HB       ARG  29  -8.299   8.494   6.304
  214   2HB   ARG  29          2HB       ARG  29  -9.198   7.013   6.581
  215   1HG   ARG  29          1HG       ARG  29  -7.384   5.780   6.267
  216   2HG   ARG  29          2HG       ARG  29  -7.048   6.561   4.721
  217   1HD   ARG  29          1HD       ARG  29  -5.186   6.850   6.271
  218   2HD   ARG  29          2HD       ARG  29  -5.937   8.398   5.886
  219    HE   ARG  29           HE       ARG  29  -6.932   7.143   8.295
  220   1HH1  ARG  29          2HH1      ARG  29  -4.485   9.268   6.944
  221   2HH1  ARG  29          1HH1      ARG  29  -4.214  10.107   8.442
  222   1HH2  ARG  29          2HH2      ARG  29  -6.590   8.267  10.258
  223   2HH2  ARG  29          1HH2      ARG  29  -5.439   9.576  10.308
  224    H    HIS  30           H        HIS  30  -8.782   7.000   2.208
  225    HA   HIS  30           HA       HIS  30  -6.946   9.243   1.664
  226   1HB   HIS  30          1HB       HIS  30  -6.980   6.472   0.454
  227   2HB   HIS  30          2HB       HIS  30  -5.936   7.780  -0.075
  228    HD1  HIS  30           1HD      HIS  30  -5.274   8.619   3.029
  229    HD2  HIS  30           2HD      HIS  30  -4.803   4.945   1.159
  230    HE1  HIS  30           1HE      HIS  30  -3.550   7.342   4.375
  231    H    MET  31           H        MET  31  -9.971   8.089   1.105
  232    HA   MET  31           HA       MET  31 -10.076   8.952  -1.693
  233   1HB   MET  31          1HB       MET  31 -11.759   7.151   0.011
  234   2HB   MET  31          2HB       MET  31 -12.447   7.882  -1.432
  235   1HG   MET  31          1HG       MET  31 -10.382   6.931  -2.632
  236   2HG   MET  31          2HG       MET  31 -10.200   5.922  -1.200
  237   1HE   MET  31          1HE       MET  31 -11.612   4.428  -0.319
  238   2HE   MET  31          2HE       MET  31 -13.087   3.726  -0.982
  239   3HE   MET  31          3HE       MET  31 -11.512   3.188  -1.570
  240    H    LEU  32           H        LEU  32 -10.206  10.484   0.988
  241    HA   LEU  32           HA       LEU  32 -12.716  11.931   0.613
  242   1HB   LEU  32          1HB       LEU  32 -10.780  12.763   2.700
  243   2HB   LEU  32          2HB       LEU  32 -12.527  12.664   2.770
  244    HG   LEU  32           HG       LEU  32 -10.888  10.161   2.716
  245   1HD1  LEU  32          1HD1      LEU  32 -11.040  12.143   4.872
  246   2HD1  LEU  32          2HD1      LEU  32 -11.431  10.491   5.351
  247   3HD1  LEU  32          3HD1      LEU  32  -9.877  10.846   4.598
  248   1HD2  LEU  32          1HD2      LEU  32 -12.783   9.149   3.599
  249   2HD2  LEU  32          2HD2      LEU  32 -13.449  10.674   4.178
  250   3HD2  LEU  32          3HD2      LEU  32 -13.445  10.314   2.454
  251    H    VAL  33           H        VAL  33 -11.189  12.299  -1.521
  252    HA   VAL  33           HA       VAL  33  -9.915  14.931  -1.138
  253    HB   VAL  33           HB       VAL  33  -9.320  13.172  -3.497
  254   1HG1  VAL  33          1HG1      VAL  33  -7.295  14.428  -3.622
  255   2HG1  VAL  33          2HG1      VAL  33  -8.622  15.571  -3.417
  256   3HG1  VAL  33          3HG1      VAL  33  -7.589  15.163  -2.047
  257   1HG2  VAL  33          1HG2      VAL  33  -7.767  11.888  -2.416
  258   2HG2  VAL  33          2HG2      VAL  33  -7.506  13.079  -1.142
  259   3HG2  VAL  33          3HG2      VAL  33  -8.953  12.072  -1.124
  Start of MODEL   13
    1   1H    GLY   1          1H        GLY   1  13.016  -7.363  -0.973
    2   2H    GLY   1          2H        GLY   1  12.213  -5.983  -0.404
    3   3H    GLY   1          3H        GLY   1  12.022  -6.467  -2.017
    4   1HA   GLY   1          2HA       GLY   1  11.337  -8.593  -0.290
    5   2HA   GLY   1          1HA       GLY   1  10.434  -7.145   0.136
    6    H    SER   2           H        SER   2  11.082  -9.508  -2.358
    7    HA   SER   2           HA       SER   2   9.581  -8.416  -4.425
    8   1HB   SER   2          1HB       SER   2   9.366 -11.225  -4.611
    9   2HB   SER   2          2HB       SER   2  10.532 -10.178  -5.424
   10    HG   SER   2           HG       SER   2  10.824 -11.777  -3.158
   11    H    THR   3           H        THR   3   8.606 -10.268  -1.660
   12    HA   THR   3           HA       THR   3   5.820 -10.231  -2.598
   13    HB   THR   3           HB       THR   3   6.443 -11.643  -0.079
   14    HG1  THR   3           1HG      THR   3   7.409 -12.542  -2.622
   15   1HG2  THR   3          1HG2      THR   3   5.174 -13.069  -2.301
   16   2HG2  THR   3          2HG2      THR   3   4.350 -11.578  -1.846
   17   3HG2  THR   3          3HG2      THR   3   4.622 -12.838  -0.643
   18    H    GLY   4           H        GLY   4   7.756  -8.231  -1.106
   19   1HA   GLY   4          1HA       GLY   4   6.098  -7.524   1.189
   20   2HA   GLY   4          2HA       GLY   4   7.566  -6.706   0.668
   21    H    ILE   5           H        ILE   5   7.048  -6.170  -1.930
   22    HA   ILE   5           HA       ILE   5   5.046  -4.074  -1.802
   23    HB   ILE   5           HB       ILE   5   6.652  -4.975  -4.200
   24   1HG1  ILE   5          2HG1      ILE   5   8.141  -4.336  -2.333
   25   2HG1  ILE   5          1HG1      ILE   5   8.235  -3.196  -3.676
   26   1HG2  ILE   5          1HG2      ILE   5   4.917  -3.652  -4.994
   27   2HG2  ILE   5          2HG2      ILE   5   4.964  -2.577  -3.596
   28   3HG2  ILE   5          3HG2      ILE   5   6.247  -2.508  -4.807
   29   1HD1  ILE   5          1HD1      ILE   5   7.004  -2.834  -0.977
   30   2HD1  ILE   5          2HD1      ILE   5   8.198  -1.838  -1.807
   31   3HD1  ILE   5          3HD1      ILE   5   6.516  -1.820  -2.336
   32    H    LYS   6           H        LYS   6   3.006  -4.241  -2.593
   33    HA   LYS   6           HA       LYS   6   2.323  -6.765  -3.966
   34   1HB   LYS   6          1HB       LYS   6   0.978  -5.304  -1.727
   35   2HB   LYS   6          2HB       LYS   6   0.020  -6.295  -2.823
   36   1HG   LYS   6          1HG       LYS   6   0.880  -8.243  -2.046
   37   2HG   LYS   6          2HG       LYS   6   2.454  -7.532  -1.691
   38   1HD   LYS   6          1HD       LYS   6   0.704  -6.254   0.051
   39   2HD   LYS   6          2HD       LYS   6   0.176  -7.937   0.047
   40   1HE   LYS   6          2HE       LYS   6   3.044  -7.102   0.435
   41   2HE   LYS   6          1HE       LYS   6   1.918  -7.333   1.769
   42   1HZ   LYS   6          1HZ       LYS   6   3.434  -9.261   0.449
   43   2HZ   LYS   6          2HZ       LYS   6   1.807  -9.584   0.095
   44   3HZ   LYS   6          3HZ       LYS   6   2.324  -9.490   1.710
   45    HA   PRO   7           HA       PRO   7   0.610  -4.803  -7.394
   46   1HB   PRO   7          1HB       PRO   7  -1.967  -5.882  -7.467
   47   2HB   PRO   7          2HB       PRO   7  -0.515  -6.601  -8.168
   48   1HG   PRO   7          1HG       PRO   7  -1.856  -7.186  -5.572
   49   2HG   PRO   7          2HG       PRO   7  -1.026  -8.288  -6.686
   50   1HD   PRO   7          1HD       PRO   7   0.118  -7.488  -4.409
   51   2HD   PRO   7          2HD       PRO   7   1.067  -7.719  -5.890
   52    H    PHE   8           H        PHE   8  -1.242  -4.637  -4.467
   53    HA   PHE   8           HA       PHE   8  -2.495  -2.155  -5.415
   54   1HB   PHE   8          1HB       PHE   8  -3.405  -3.897  -3.118
   55   2HB   PHE   8          2HB       PHE   8  -4.255  -2.516  -3.806
   56    HD1  PHE   8           1HD      PHE   8  -5.390  -2.686  -5.943
   57    HD2  PHE   8           2HD      PHE   8  -3.387  -6.035  -4.234
   58    HE1  PHE   8           1HE      PHE   8  -6.545  -4.178  -7.520
   59    HE2  PHE   8           2HE      PHE   8  -4.556  -7.529  -5.800
   60    HZ   PHE   8           HZ       PHE   8  -6.126  -6.602  -7.453
   61    H    GLN   9           H        GLN   9  -0.933  -0.710  -4.890
   62    HA   GLN   9           HA       GLN   9   0.030  -0.715  -2.114
   63   1HB   GLN   9          1HB       GLN   9   1.310  -0.246  -4.695
   64   2HB   GLN   9          2HB       GLN   9   1.653   1.027  -3.531
   65   1HG   GLN   9          1HG       GLN   9   1.929  -1.482  -2.228
   66   2HG   GLN   9          2HG       GLN   9   2.828  -1.529  -3.744
   67   1HE2  GLN   9          1HE2      GLN   9   2.216   0.826  -1.158
   68   2HE2  GLN   9          2HE2      GLN   9   3.873   1.310  -0.975
   69    H    CYS  10           H        CYS  10  -0.194   1.048  -0.836
   70    HA   CYS  10           HA       CYS  10  -2.003   3.131  -1.739
   71   1HB   CYS  10          1HB       CYS  10  -2.416   2.585   0.518
   72   2HB   CYS  10          2HB       CYS  10  -0.701   2.524   0.911
   73    HA   PRO  11           HA       PRO  11   1.452   5.689  -2.950
   74   1HB   PRO  11          1HB       PRO  11   0.043   7.678  -4.038
   75   2HB   PRO  11          2HB       PRO  11   0.173   6.103  -4.828
   76   1HG   PRO  11          1HG       PRO  11  -2.072   7.239  -3.217
   77   2HG   PRO  11          2HG       PRO  11  -2.134   6.272  -4.700
   78   1HD   PRO  11          1HD       PRO  11  -2.523   5.266  -2.162
   79   2HD   PRO  11          2HD       PRO  11  -2.001   4.301  -3.557
   80    H    ASP  12           H        ASP  12  -0.580   6.084  -0.380
   81    HA   ASP  12           HA       ASP  12   0.365   8.816   0.200
   82   1HB   ASP  12          1HB       ASP  12  -2.152   8.030   0.320
   83   2HB   ASP  12          2HB       ASP  12  -1.668   7.428   1.902
   84    H    CYS  13           H        CYS  13   0.060   5.610   1.744
   85    HA   CYS  13           HA       CYS  13   2.035   6.504   3.739
   86   1HB   CYS  13          1HB       CYS  13   0.377   4.045   4.116
   87   2HB   CYS  13          2HB       CYS  13   1.071   5.118   5.327
   88    H    ASP  14           H        ASP  14   1.831   4.647   1.004
   89    HA   ASP  14           HA       ASP  14   3.263   3.156   0.017
   90   1HB   ASP  14          1HB       ASP  14   5.011   4.550   1.300
   91   2HB   ASP  14          2HB       ASP  14   5.019   3.230   2.463
   92    H    TRP  15           H        TRP  15   1.046   2.377   1.565
   93    HA   TRP  15           HA       TRP  15   1.781  -0.052   2.974
   94   1HB   TRP  15          1HB       TRP  15  -0.661   1.553   2.582
   95   2HB   TRP  15          2HB       TRP  15  -0.931  -0.182   2.608
   96    HD1  TRP  15           HD       TRP  15  -0.199   2.748   4.837
   97    HE1  TRP  15           1HE      TRP  15  -0.173   1.971   7.301
   98    HE3  TRP  15           3HE      TRP  15  -0.242  -2.303   4.084
   99    HZ2  TRP  15           2HZ      TRP  15  -0.149  -0.476   8.720
  100    HZ3  TRP  15           3HZ      TRP  15  -0.212  -3.794   6.039
  101    HH2  TRP  15           HH       TRP  15  -0.168  -2.898   8.309
  102    H    SER  16           H        SER  16   1.176  -2.168   2.224
  103    HA   SER  16           HA       SER  16   0.500  -2.294  -0.641
  104   1HB   SER  16          1HB       SER  16   2.380  -4.337   0.440
  105   2HB   SER  16          2HB       SER  16   2.281  -3.637  -1.177
  106    HG   SER  16           HG       SER  16   2.949  -1.845   0.799
  107    H    PHE  17           H        PHE  17  -1.104  -3.605  -1.117
  108    HA   PHE  17           HA       PHE  17  -1.829  -5.738   0.779
  109   1HB   PHE  17          1HB       PHE  17  -3.789  -3.986  -0.724
  110   2HB   PHE  17          2HB       PHE  17  -4.177  -5.228   0.461
  111    HD1  PHE  17           1HD      PHE  17  -4.040  -4.801   2.792
  112    HD2  PHE  17           2HD      PHE  17  -2.787  -1.858  -0.014
  113    HE1  PHE  17           1HE      PHE  17  -3.980  -3.121   4.588
  114    HE2  PHE  17           2HE      PHE  17  -2.734  -0.170   1.773
  115    HZ   PHE  17           HZ       PHE  17  -3.326  -0.802   4.081
  116    H    SER  18           H        SER  18  -2.488  -7.646  -0.113
  117    HA   SER  18           HA       SER  18  -1.849  -8.039  -2.899
  118   1HB   SER  18          1HB       SER  18  -3.084 -10.255  -1.375
  119   2HB   SER  18          2HB       SER  18  -1.614 -10.239  -2.348
  120    HG   SER  18           HG       SER  18  -0.538 -10.049  -0.571
  121    H    ARG  19           H        ARG  19  -4.627  -7.361  -1.064
  122    HA   ARG  19           HA       ARG  19  -6.367  -8.132  -3.324
  123   1HB   ARG  19          1HB       ARG  19  -6.841  -8.238  -0.354
  124   2HB   ARG  19          2HB       ARG  19  -8.186  -8.124  -1.482
  125   1HG   ARG  19          1HG       ARG  19  -7.165 -10.164  -2.624
  126   2HG   ARG  19          2HG       ARG  19  -6.197 -10.333  -1.160
  127   1HD   ARG  19          1HD       ARG  19  -8.408 -11.639  -1.330
  128   2HD   ARG  19          2HD       ARG  19  -8.046 -10.782   0.165
  129    HE   ARG  19           HE       ARG  19  -9.849  -9.422  -0.208
  130   1HH1  ARG  19          2HH1      ARG  19  -9.069 -11.043  -3.233
  131   2HH1  ARG  19          1HH1      ARG  19 -10.559 -10.568  -4.001
  132   1HH2  ARG  19          2HH2      ARG  19 -11.805  -8.863  -1.202
  133   2HH2  ARG  19          1HH2      ARG  19 -12.123  -9.350  -2.839
  134    H    SER  20           H        SER  20  -7.555  -6.779  -4.202
  135    HA   SER  20           HA       SER  20  -7.142  -4.058  -4.033
  136   1HB   SER  20          1HB       SER  20  -9.286  -4.074  -5.407
  137   2HB   SER  20          2HB       SER  20  -7.951  -5.024  -6.021
  138    HG   SER  20           HG       SER  20  -9.250  -6.661  -5.955
  139    H    ASP  21           H        ASP  21  -9.717  -6.067  -2.697
  140    HA   ASP  21           HA       ASP  21 -11.295  -4.027  -1.630
  141   1HB   ASP  21          1HB       ASP  21 -12.610  -5.793  -1.259
  142   2HB   ASP  21          2HB       ASP  21 -11.304  -6.831  -1.789
  143    H    HIS  22           H        HIS  22  -8.416  -5.590  -0.412
  144    HA   HIS  22           HA       HIS  22  -8.686  -4.609   2.274
  145   1HB   HIS  22          1HB       HIS  22  -6.456  -5.858   0.705
  146   2HB   HIS  22          2HB       HIS  22  -6.128  -5.112   2.263
  147    HD1  HIS  22           1HD      HIS  22  -5.582  -7.297   3.469
  148    HD2  HIS  22           2HD      HIS  22  -9.345  -7.269   1.683
  149    HE1  HIS  22           1HE      HIS  22  -6.764  -9.335   4.349
  150    HE2  HIS  22           2HE      HIS  22  -9.086  -9.208   3.392
  151    H    LEU  23           H        LEU  23  -6.906  -3.606  -0.614
  152    HA   LEU  23           HA       LEU  23  -5.636  -1.360   0.520
  153   1HB   LEU  23          1HB       LEU  23  -4.883  -2.253  -1.596
  154   2HB   LEU  23          2HB       LEU  23  -6.443  -1.937  -2.332
  155    HG   LEU  23           HG       LEU  23  -5.976   0.543  -1.812
  156   1HD1  LEU  23          1HD1      LEU  23  -3.748   1.221  -1.489
  157   2HD1  LEU  23          2HD1      LEU  23  -4.045  -0.051  -0.303
  158   3HD1  LEU  23          3HD1      LEU  23  -3.128  -0.405  -1.769
  159   1HD2  LEU  23          1HD2      LEU  23  -4.101  -0.625  -3.833
  160   2HD2  LEU  23          2HD2      LEU  23  -5.848  -0.735  -4.045
  161   3HD2  LEU  23          3HD2      LEU  23  -5.072   0.844  -3.928
  162    H    ALA  24           H        ALA  24  -8.720  -1.770  -1.176
  163    HA   ALA  24           HA       ALA  24  -9.459   0.942  -1.188
  164   1HB   ALA  24          1HB       ALA  24 -10.506  -1.288  -2.275
  165   2HB   ALA  24          2HB       ALA  24 -11.630  -1.035  -0.940
  166   3HB   ALA  24          3HB       ALA  24 -11.381   0.238  -2.138
  167    H    LEU  25           H        LEU  25  -9.767  -1.580   1.228
  168    HA   LEU  25           HA       LEU  25 -11.492  -0.127   2.974
  169   1HB   LEU  25          1HB       LEU  25 -10.159  -2.691   2.951
  170   2HB   LEU  25          2HB       LEU  25  -9.986  -1.920   4.518
  171    HG   LEU  25           HG       LEU  25 -12.716  -1.863   3.422
  172   1HD1  LEU  25          1HD1      LEU  25 -12.789  -4.006   2.813
  173   2HD1  LEU  25          2HD1      LEU  25 -11.204  -4.343   3.512
  174   3HD1  LEU  25          3HD1      LEU  25 -12.645  -4.384   4.530
  175   1HD2  LEU  25          1HD2      LEU  25 -13.327  -2.122   5.652
  176   2HD2  LEU  25          2HD2      LEU  25 -11.813  -2.920   6.074
  177   3HD2  LEU  25          3HD2      LEU  25 -11.835  -1.188   5.747
  178    H    HIS  26           H        HIS  26  -8.085  -0.133   2.368
  179    HA   HIS  26           HA       HIS  26  -7.472   1.291   4.825
  180   1HB   HIS  26          1HB       HIS  26  -5.740  -0.189   4.156
  181   2HB   HIS  26          2HB       HIS  26  -5.800   0.367   2.486
  182    HD1  HIS  26           1HD      HIS  26  -4.846   1.748   5.912
  183    HD2  HIS  26           2HD      HIS  26  -3.983   2.255   1.876
  184    HE1  HIS  26           1HE      HIS  26  -3.042   3.515   5.783
  185    H    ARG  27           H        ARG  27  -7.696   1.937   1.348
  186    HA   ARG  27           HA       ARG  27  -6.920   4.687   1.723
  187   1HB   ARG  27          1HB       ARG  27  -7.950   3.335  -0.769
  188   2HB   ARG  27          2HB       ARG  27  -7.158   4.900  -0.686
  189   1HG   ARG  27          1HG       ARG  27  -5.343   3.238   0.523
  190   2HG   ARG  27          2HG       ARG  27  -6.018   2.221  -0.746
  191   1HD   ARG  27          1HD       ARG  27  -3.954   3.729  -1.238
  192   2HD   ARG  27          2HD       ARG  27  -5.257   3.585  -2.425
  193    HE   ARG  27           HE       ARG  27  -5.255   5.822  -0.531
  194   1HH1  ARG  27          2HH1      ARG  27  -5.170   4.646  -3.822
  195   2HH1  ARG  27          1HH1      ARG  27  -5.163   6.240  -4.526
  196   1HH2  ARG  27          2HH2      ARG  27  -5.238   7.925  -1.447
  197   2HH2  ARG  27          1HH2      ARG  27  -5.241   8.099  -3.176
  198    H    LYS  28           H        LYS  28  -9.673   3.223   2.482
  199    HA   LYS  28           HA       LYS  28 -11.647   4.929   1.367
  200   1HB   LYS  28          1HB       LYS  28 -13.160   3.957   2.905
  201   2HB   LYS  28          2HB       LYS  28 -12.033   2.677   2.488
  202   1HG   LYS  28          1HG       LYS  28 -11.147   2.582   4.570
  203   2HG   LYS  28          2HG       LYS  28 -11.389   4.303   4.869
  204   1HD   LYS  28          1HD       LYS  28 -13.854   2.730   4.575
  205   2HD   LYS  28          2HD       LYS  28 -12.871   2.327   5.984
  206   1HE   LYS  28          2HE       LYS  28 -12.951   5.144   5.795
  207   2HE   LYS  28          1HE       LYS  28 -14.599   4.561   5.576
  208   1HZ   LYS  28          1HZ       LYS  28 -13.762   3.080   7.652
  209   2HZ   LYS  28          2HZ       LYS  28 -14.620   4.537   7.795
  210   3HZ   LYS  28          3HZ       LYS  28 -12.927   4.533   7.933
  211    H    ARG  29           H        ARG  29  -9.415   5.185   3.990
  212    HA   ARG  29           HA       ARG  29 -10.657   7.591   5.022
  213   1HB   ARG  29          1HB       ARG  29  -8.728   7.505   6.644
  214   2HB   ARG  29          2HB       ARG  29  -9.854   6.159   6.731
  215   1HG   ARG  29          1HG       ARG  29  -8.304   4.666   6.120
  216   2HG   ARG  29          2HG       ARG  29  -7.591   5.749   4.923
  217   1HD   ARG  29          1HD       ARG  29  -5.886   5.642   6.434
  218   2HD   ARG  29          2HD       ARG  29  -6.772   7.031   7.064
  219    HE   ARG  29           HE       ARG  29  -7.780   4.707   8.262
  220   1HH1  ARG  29          2HH1      ARG  29  -4.948   6.758   8.276
  221   2HH1  ARG  29          1HH1      ARG  29  -4.429   6.250   9.852
  222   1HH2  ARG  29          2HH2      ARG  29  -7.106   4.055  10.354
  223   2HH2  ARG  29          1HH2      ARG  29  -5.647   4.713  11.035
  224    H    HIS  30           H        HIS  30  -9.313   7.228   2.331
  225    HA   HIS  30           HA       HIS  30  -7.404   9.462   2.560
  226   1HB   HIS  30          1HB       HIS  30  -7.357   7.093   0.688
  227   2HB   HIS  30          2HB       HIS  30  -6.374   8.530   0.444
  228    HD1  HIS  30           1HD      HIS  30  -5.759   8.658   3.702
  229    HD2  HIS  30           2HD      HIS  30  -5.050   5.576   1.001
  230    HE1  HIS  30           1HE      HIS  30  -3.924   7.234   4.704
  231    H    MET  31           H        MET  31 -10.248   9.608   2.238
  232    HA   MET  31           HA       MET  31 -10.740  10.148  -0.565
  233   1HB   MET  31          1HB       MET  31 -12.487  10.429   1.882
  234   2HB   MET  31          2HB       MET  31 -13.024  10.781   0.246
  235   1HG   MET  31          1HG       MET  31 -11.883   8.109   0.938
  236   2HG   MET  31          2HG       MET  31 -13.566   8.495   1.292
  237   1HE   MET  31          1HE       MET  31 -14.248   6.239  -0.719
  238   2HE   MET  31          2HE       MET  31 -12.965   6.127  -1.924
  239   3HE   MET  31          3HE       MET  31 -12.560   6.191  -0.208
  240    H    LEU  32           H        LEU  32 -10.114  11.901   2.374
  241    HA   LEU  32           HA       LEU  32 -10.691  14.472   1.159
  242   1HB   LEU  32          1HB       LEU  32  -9.986  13.497   3.874
  243   2HB   LEU  32          2HB       LEU  32  -9.520  15.139   3.476
  244    HG   LEU  32           HG       LEU  32 -11.593  15.401   4.505
  245   1HD1  LEU  32          1HD1      LEU  32 -13.081  16.209   2.837
  246   2HD1  LEU  32          2HD1      LEU  32 -11.440  16.495   2.256
  247   3HD1  LEU  32          3HD1      LEU  32 -12.384  15.150   1.612
  248   1HD2  LEU  32          1HD2      LEU  32 -13.571  13.926   3.563
  249   2HD2  LEU  32          2HD2      LEU  32 -12.249  12.822   3.184
  250   3HD2  LEU  32          3HD2      LEU  32 -12.514  13.341   4.849
  251    H    VAL  33           H        VAL  33  -9.188  14.487  -0.541
  252    HA   VAL  33           HA       VAL  33  -6.454  15.131   0.294
  253    HB   VAL  33           HB       VAL  33  -5.756  13.893  -1.915
  254   1HG1  VAL  33          1HG1      VAL  33  -5.208  13.409   0.571
  255   2HG1  VAL  33          2HG1      VAL  33  -6.349  12.076   0.384
  256   3HG1  VAL  33          3HG1      VAL  33  -4.916  12.160  -0.641
  257   1HG2  VAL  33          1HG2      VAL  33  -7.298  11.647  -1.656
  258   2HG2  VAL  33          2HG2      VAL  33  -8.483  12.939  -1.468
  259   3HG2  VAL  33          3HG2      VAL  33  -7.476  12.869  -2.914
  Start of MODEL   14
    1   1H    GLY   1          1H        GLY   1  12.417 -11.882  -4.057
    2   2H    GLY   1          2H        GLY   1  13.642 -11.906  -2.883
    3   3H    GLY   1          3H        GLY   1  13.684 -10.757  -4.128
    4   1HA   GLY   1          2HA       GLY   1  12.057 -10.818  -1.702
    5   2HA   GLY   1          1HA       GLY   1  12.854  -9.456  -2.482
    6    H    SER   2           H        SER   2  11.256  -8.042  -2.854
    7    HA   SER   2           HA       SER   2   9.384  -7.100  -3.706
    8   1HB   SER   2          1HB       SER   2   9.108  -9.344  -5.679
    9   2HB   SER   2          2HB       SER   2   8.843  -7.617  -5.910
   10    HG   SER   2           HG       SER   2  11.030  -9.016  -6.430
   11    H    THR   3           H        THR   3   9.064  -8.867  -1.527
   12    HA   THR   3           HA       THR   3   6.388  -9.964  -2.058
   13    HB   THR   3           HB       THR   3   7.391 -10.857   0.464
   14    HG1  THR   3           1HG      THR   3   9.491 -10.768  -0.108
   15   1HG2  THR   3          1HG2      THR   3   6.245 -12.628  -0.264
   16   2HG2  THR   3          2HG2      THR   3   7.465 -12.917  -1.504
   17   3HG2  THR   3          3HG2      THR   3   6.088 -11.873  -1.849
   18    H    GLY   4           H        GLY   4   7.946  -7.413  -0.823
   19   1HA   GLY   4          1HA       GLY   4   6.123  -6.887   1.403
   20   2HA   GLY   4          2HA       GLY   4   7.448  -5.854   0.876
   21    H    ILE   5           H        ILE   5   6.991  -5.565  -1.758
   22    HA   ILE   5           HA       ILE   5   4.747  -3.773  -1.877
   23    HB   ILE   5           HB       ILE   5   6.432  -4.797  -4.170
   24   1HG1  ILE   5          2HG1      ILE   5   7.819  -3.765  -2.386
   25   2HG1  ILE   5          1HG1      ILE   5   7.840  -2.842  -3.890
   26   1HG2  ILE   5          1HG2      ILE   5   4.220  -3.635  -4.638
   27   2HG2  ILE   5          2HG2      ILE   5   4.981  -2.174  -4.007
   28   3HG2  ILE   5          3HG2      ILE   5   5.654  -2.974  -5.427
   29   1HD1  ILE   5          1HD1      ILE   5   6.307  -2.191  -1.386
   30   2HD1  ILE   5          2HD1      ILE   5   7.697  -1.333  -2.049
   31   3HD1  ILE   5          3HD1      ILE   5   6.158  -1.314  -2.909
   32    H    LYS   6           H        LYS   6   2.819  -4.071  -2.927
   33    HA   LYS   6           HA       LYS   6   2.263  -6.733  -4.049
   34   1HB   LYS   6          1HB       LYS   6   0.967  -5.378  -1.767
   35   2HB   LYS   6          2HB       LYS   6  -0.113  -6.121  -2.942
   36   1HG   LYS   6          1HG       LYS   6   0.192  -8.033  -1.864
   37   2HG   LYS   6          2HG       LYS   6   1.840  -8.037  -2.497
   38   1HD   LYS   6          1HD       LYS   6   2.527  -6.705  -0.497
   39   2HD   LYS   6          2HD       LYS   6   0.897  -6.937   0.148
   40   1HE   LYS   6          2HE       LYS   6   1.996  -9.450  -0.706
   41   2HE   LYS   6          1HE       LYS   6   3.108  -8.650   0.406
   42   1HZ   LYS   6          1HZ       LYS   6   0.920 -10.112   1.103
   43   2HZ   LYS   6          2HZ       LYS   6   0.379  -8.511   1.280
   44   3HZ   LYS   6          3HZ       LYS   6   1.760  -9.036   2.111
   45    HA   PRO   7           HA       PRO   7   0.437  -4.863  -7.504
   46   1HB   PRO   7          1HB       PRO   7  -2.069  -6.068  -7.602
   47   2HB   PRO   7          2HB       PRO   7  -0.575  -6.747  -8.249
   48   1HG   PRO   7          1HG       PRO   7  -1.946  -7.305  -5.661
   49   2HG   PRO   7          2HG       PRO   7  -1.071  -8.411  -6.734
   50   1HD   PRO   7          1HD       PRO   7   0.009  -7.505  -4.461
   51   2HD   PRO   7          2HD       PRO   7   0.990  -7.772  -5.912
   52    H    PHE   8           H        PHE   8  -1.124  -4.567  -4.497
   53    HA   PHE   8           HA       PHE   8  -2.576  -2.202  -5.468
   54   1HB   PHE   8          1HB       PHE   8  -3.436  -3.941  -3.151
   55   2HB   PHE   8          2HB       PHE   8  -4.336  -2.616  -3.884
   56    HD1  PHE   8           1HD      PHE   8  -3.486  -6.123  -4.070
   57    HD2  PHE   8           2HD      PHE   8  -5.296  -2.874  -6.143
   58    HE1  PHE   8           1HE      PHE   8  -4.598  -7.711  -5.586
   59    HE2  PHE   8           2HE      PHE   8  -6.406  -4.457  -7.661
   60    HZ   PHE   8           HZ       PHE   8  -6.049  -6.877  -7.392
   61    H    GLN   9           H        GLN   9  -1.393  -0.540  -4.825
   62    HA   GLN   9           HA       GLN   9  -0.156  -0.660  -2.158
   63   1HB   GLN   9          1HB       GLN   9   0.920  -0.162  -4.811
   64   2HB   GLN   9          2HB       GLN   9   1.316   1.133  -3.690
   65   1HG   GLN   9          1HG       GLN   9   1.755  -1.292  -2.343
   66   2HG   GLN   9          2HG       GLN   9   2.488  -1.438  -3.941
   67   1HE2  GLN   9          1HE2      GLN   9   2.221   0.834  -1.239
   68   2HE2  GLN   9          2HE2      GLN   9   3.847   1.436  -1.362
   69    H    CYS  10           H        CYS  10  -0.234   1.104  -0.847
   70    HA   CYS  10           HA       CYS  10  -2.060   3.246  -1.588
   71   1HB   CYS  10          1HB       CYS  10  -2.371   2.577   0.672
   72   2HB   CYS  10          2HB       CYS  10  -0.642   2.537   0.978
   73    HA   PRO  11           HA       PRO  11   1.499   5.662  -2.836
   74   1HB   PRO  11          1HB       PRO  11   0.159   7.754  -3.823
   75   2HB   PRO  11          2HB       PRO  11   0.212   6.206  -4.674
   76   1HG   PRO  11          1HG       PRO  11  -1.963   7.365  -2.978
   77   2HG   PRO  11          2HG       PRO  11  -2.085   6.472  -4.505
   78   1HD   PRO  11          1HD       PRO  11  -2.489   5.360  -2.019
   79   2HD   PRO  11          2HD       PRO  11  -2.001   4.443  -3.456
   80    H    ASP  12           H        ASP  12  -0.583   6.105  -0.277
   81    HA   ASP  12           HA       ASP  12   0.452   8.768   0.415
   82   1HB   ASP  12          1HB       ASP  12  -2.028   8.146   0.580
   83   2HB   ASP  12          2HB       ASP  12  -1.578   7.208   2.002
   84    H    CYS  13           H        CYS  13   0.049   5.592   1.981
   85    HA   CYS  13           HA       CYS  13   2.136   6.345   3.907
   86   1HB   CYS  13          1HB       CYS  13   0.501   3.842   4.105
   87   2HB   CYS  13          2HB       CYS  13   1.251   4.780   5.390
   88    H    ASP  14           H        ASP  14   1.782   4.661   1.076
   89    HA   ASP  14           HA       ASP  14   3.156   3.284  -0.110
   90   1HB   ASP  14          1HB       ASP  14   4.991   4.535   1.320
   91   2HB   ASP  14          2HB       ASP  14   5.102   2.984   2.145
   92    H    TRP  15           H        TRP  15   1.059   2.478   1.720
   93    HA   TRP  15           HA       TRP  15   1.784  -0.026   2.919
   94   1HB   TRP  15          1HB       TRP  15  -0.645   1.597   2.602
   95   2HB   TRP  15          2HB       TRP  15  -0.939  -0.134   2.519
   96    HD1  TRP  15           HD       TRP  15  -0.142   2.640   4.927
   97    HE1  TRP  15           1HE      TRP  15  -0.148   1.706   7.334
   98    HE3  TRP  15           3HE      TRP  15  -0.338  -2.354   3.849
   99    HZ2  TRP  15           2HZ      TRP  15  -0.200  -0.821   8.592
  100    HZ3  TRP  15           3HZ      TRP  15  -0.360  -3.964   5.709
  101    HH2  TRP  15           HH       TRP  15  -0.296  -3.212   8.030
  102    H    SER  16           H        SER  16   1.132  -2.117   2.154
  103    HA   SER  16           HA       SER  16   0.436  -2.229  -0.696
  104   1HB   SER  16          1HB       SER  16   2.464  -4.130   0.457
  105   2HB   SER  16          2HB       SER  16   2.159  -3.724  -1.233
  106    HG   SER  16           HG       SER  16   2.801  -1.476  -0.061
  107    H    PHE  17           H        PHE  17  -1.151  -3.575  -1.135
  108    HA   PHE  17           HA       PHE  17  -1.817  -5.686   0.810
  109   1HB   PHE  17          1HB       PHE  17  -3.802  -3.968  -0.698
  110   2HB   PHE  17          2HB       PHE  17  -4.187  -5.238   0.457
  111    HD1  PHE  17           1HD      PHE  17  -2.786  -1.858   0.071
  112    HD2  PHE  17           2HD      PHE  17  -4.128  -4.841   2.786
  113    HE1  PHE  17           1HE      PHE  17  -2.747  -0.204   1.884
  114    HE2  PHE  17           2HE      PHE  17  -4.100  -3.191   4.617
  115    HZ   PHE  17           HZ       PHE  17  -3.409  -0.868   4.163
  116    H    SER  18           H        SER  18  -2.431  -7.632  -0.038
  117    HA   SER  18           HA       SER  18  -1.877  -8.044  -2.851
  118   1HB   SER  18          1HB       SER  18  -2.905 -10.359  -1.422
  119   2HB   SER  18          2HB       SER  18  -1.320 -10.119  -2.158
  120    HG   SER  18           HG       SER  18  -1.745 -10.308   0.353
  121    H    ARG  19           H        ARG  19  -4.546  -7.355  -0.925
  122    HA   ARG  19           HA       ARG  19  -6.402  -8.270  -3.038
  123   1HB   ARG  19          1HB       ARG  19  -6.554  -8.431  -0.103
  124   2HB   ARG  19          2HB       ARG  19  -7.983  -7.735  -0.848
  125   1HG   ARG  19          1HG       ARG  19  -8.274  -9.700  -2.222
  126   2HG   ARG  19          2HG       ARG  19  -6.783 -10.393  -1.584
  127   1HD   ARG  19          1HD       ARG  19  -8.519 -11.433  -0.385
  128   2HD   ARG  19          2HD       ARG  19  -7.850 -10.222   0.707
  129    HE   ARG  19           HE       ARG  19  -9.782  -8.836   0.233
  130   1HH1  ARG  19          2HH1      ARG  19  -9.991 -12.164  -0.855
  131   2HH1  ARG  19          1HH1      ARG  19 -11.733 -12.184  -0.832
  132   1HH2  ARG  19          2HH2      ARG  19 -12.044  -8.869   0.264
  133   2HH2  ARG  19          1HH2      ARG  19 -12.902 -10.315  -0.178
  134    H    SER  20           H        SER  20  -7.517  -6.920  -4.013
  135    HA   SER  20           HA       SER  20  -7.027  -4.191  -3.962
  136   1HB   SER  20          1HB       SER  20  -9.109  -4.245  -5.435
  137   2HB   SER  20          2HB       SER  20  -7.748  -5.212  -5.947
  138    HG   SER  20           HG       SER  20 -10.023  -6.147  -5.884
  139    H    ASP  21           H        ASP  21  -9.597  -6.156  -2.575
  140    HA   ASP  21           HA       ASP  21 -11.222  -4.056  -1.639
  141   1HB   ASP  21          1HB       ASP  21 -12.515  -5.864  -1.357
  142   2HB   ASP  21          2HB       ASP  21 -11.131  -6.928  -1.532
  143    H    HIS  22           H        HIS  22  -8.386  -5.640  -0.318
  144    HA   HIS  22           HA       HIS  22  -8.687  -4.549   2.314
  145   1HB   HIS  22          1HB       HIS  22  -6.579  -6.066   0.867
  146   2HB   HIS  22          2HB       HIS  22  -6.079  -5.123   2.266
  147    HD1  HIS  22           1HD      HIS  22  -5.729  -6.919   3.996
  148    HD2  HIS  22           2HD      HIS  22  -9.373  -7.266   2.018
  149    HE1  HIS  22           1HE      HIS  22  -6.995  -8.716   5.219
  150    HE2  HIS  22           2HE      HIS  22  -9.274  -8.739   4.140
  151    H    LEU  23           H        LEU  23  -6.932  -3.646  -0.605
  152    HA   LEU  23           HA       LEU  23  -5.568  -1.426   0.505
  153   1HB   LEU  23          1HB       LEU  23  -4.837  -2.343  -1.605
  154   2HB   LEU  23          2HB       LEU  23  -6.401  -2.021  -2.335
  155    HG   LEU  23           HG       LEU  23  -5.946   0.444  -1.881
  156   1HD1  LEU  23          1HD1      LEU  23  -4.063   1.109  -0.913
  157   2HD1  LEU  23          2HD1      LEU  23  -3.782  -0.581  -0.497
  158   3HD1  LEU  23          3HD1      LEU  23  -3.081   0.090  -1.970
  159   1HD2  LEU  23          1HD2      LEU  23  -4.120  -0.991  -3.799
  160   2HD2  LEU  23          2HD2      LEU  23  -5.808  -0.581  -4.105
  161   3HD2  LEU  23          3HD2      LEU  23  -4.616   0.700  -3.891
  162    H    ALA  24           H        ALA  24  -8.668  -1.799  -1.168
  163    HA   ALA  24           HA       ALA  24  -9.353   0.941  -1.174
  164   1HB   ALA  24          1HB       ALA  24 -10.924   0.073  -2.492
  165   2HB   ALA  24          2HB       ALA  24 -10.595  -1.554  -1.894
  166   3HB   ALA  24          3HB       ALA  24 -11.741  -0.519  -1.045
  167    H    LEU  25           H        LEU  25  -9.748  -1.627   1.185
  168    HA   LEU  25           HA       LEU  25 -11.454  -0.244   2.984
  169   1HB   LEU  25          1HB       LEU  25  -9.867  -2.691   2.966
  170   2HB   LEU  25          2HB       LEU  25  -9.875  -1.916   4.537
  171    HG   LEU  25           HG       LEU  25 -12.300  -2.804   2.975
  172   1HD1  LEU  25          1HD1      LEU  25 -12.561  -4.308   4.978
  173   2HD1  LEU  25          2HD1      LEU  25 -11.227  -4.701   3.893
  174   3HD1  LEU  25          3HD1      LEU  25 -10.911  -3.871   5.417
  175   1HD2  LEU  25          1HD2      LEU  25 -13.152  -2.271   5.501
  176   2HD2  LEU  25          2HD2      LEU  25 -11.979  -0.979   5.241
  177   3HD2  LEU  25          3HD2      LEU  25 -13.329  -1.182   4.125
  178    H    HIS  26           H        HIS  26  -8.084  -0.070   2.283
  179    HA   HIS  26           HA       HIS  26  -7.496   1.389   4.733
  180   1HB   HIS  26          1HB       HIS  26  -5.828  -0.202   4.142
  181   2HB   HIS  26          2HB       HIS  26  -5.789   0.345   2.470
  182    HD1  HIS  26           1HD      HIS  26  -4.703   1.447   5.933
  183    HD2  HIS  26           2HD      HIS  26  -4.018   2.325   1.931
  184    HE1  HIS  26           1HE      HIS  26  -2.872   3.194   5.881
  185    H    ARG  27           H        ARG  27  -7.674   1.926   1.236
  186    HA   ARG  27           HA       ARG  27  -6.713   4.610   1.482
  187   1HB   ARG  27          1HB       ARG  27  -7.795   3.046  -0.861
  188   2HB   ARG  27          2HB       ARG  27  -7.151   4.671  -0.975
  189   1HG   ARG  27          1HG       ARG  27  -5.145   3.390   0.317
  190   2HG   ARG  27          2HG       ARG  27  -5.770   2.114  -0.717
  191   1HD   ARG  27          1HD       ARG  27  -3.885   3.735  -1.560
  192   2HD   ARG  27          2HD       ARG  27  -5.176   3.189  -2.636
  193    HE   ARG  27           HE       ARG  27  -5.040   5.840  -1.350
  194   1HH1  ARG  27          2HH1      ARG  27  -6.240   3.729  -3.887
  195   2HH1  ARG  27          1HH1      ARG  27  -6.819   5.042  -4.875
  196   1HH2  ARG  27          2HH2      ARG  27  -5.782   7.557  -2.658
  197   2HH2  ARG  27          1HH2      ARG  27  -6.535   7.216  -4.189
  198    H    LYS  28           H        LYS  28  -9.726   3.228   1.945
  199    HA   LYS  28           HA       LYS  28 -11.410   5.196   0.812
  200   1HB   LYS  28          1HB       LYS  28 -13.159   4.328   2.283
  201   2HB   LYS  28          2HB       LYS  28 -12.274   3.017   1.519
  202   1HG   LYS  28          1HG       LYS  28 -11.601   2.186   3.475
  203   2HG   LYS  28          2HG       LYS  28 -11.189   3.780   4.114
  204   1HD   LYS  28          1HD       LYS  28 -12.962   3.511   5.458
  205   2HD   LYS  28          2HD       LYS  28 -13.932   3.858   4.026
  206   1HE   LYS  28          2HE       LYS  28 -13.736   1.328   3.559
  207   2HE   LYS  28          1HE       LYS  28 -13.259   1.207   5.252
  208   1HZ   LYS  28          1HZ       LYS  28 -15.681   0.892   4.784
  209   2HZ   LYS  28          2HZ       LYS  28 -15.759   2.532   4.366
  210   3HZ   LYS  28          3HZ       LYS  28 -15.327   2.078   5.943
  211    H    ARG  29           H        ARG  29  -9.642   5.028   3.821
  212    HA   ARG  29           HA       ARG  29 -10.904   7.275   5.045
  213   1HB   ARG  29          1HB       ARG  29  -9.087   7.115   6.675
  214   2HB   ARG  29          2HB       ARG  29  -9.800   5.538   6.374
  215   1HG   ARG  29          1HG       ARG  29  -7.954   4.804   5.153
  216   2HG   ARG  29          2HG       ARG  29  -7.352   6.442   4.903
  217   1HD   ARG  29          1HD       ARG  29  -6.010   5.202   6.532
  218   2HD   ARG  29          2HD       ARG  29  -6.778   6.619   7.246
  219    HE   ARG  29           HE       ARG  29  -7.981   3.949   7.552
  220   1HH1  ARG  29          2HH1      ARG  29  -6.656   6.890   8.904
  221   2HH1  ARG  29          1HH1      ARG  29  -7.028   6.474  10.551
  222   1HH2  ARG  29          2HH2      ARG  29  -8.490   3.375   9.720
  223   2HH2  ARG  29          1HH2      ARG  29  -8.096   4.474  11.013
  224    H    HIS  30           H        HIS  30  -8.579   6.860   2.614
  225    HA   HIS  30           HA       HIS  30  -7.320   9.452   3.003
  226   1HB   HIS  30          1HB       HIS  30  -6.965   7.386   0.826
  227   2HB   HIS  30          2HB       HIS  30  -6.035   8.871   0.966
  228    HD1  HIS  30           1HD      HIS  30  -5.455   8.692   4.060
  229    HD2  HIS  30           2HD      HIS  30  -4.989   5.609   1.307
  230    HE1  HIS  30           1HE      HIS  30  -3.728   7.121   5.029
  231    H    MET  31           H        MET  31  -9.749   7.896   1.163
  232    HA   MET  31           HA       MET  31 -10.115  10.002  -0.758
  233   1HB   MET  31          1HB       MET  31 -11.772   7.596   0.000
  234   2HB   MET  31          2HB       MET  31 -12.249   8.746  -1.242
  235   1HG   MET  31          1HG       MET  31 -10.561   8.099  -2.674
  236   2HG   MET  31          2HG       MET  31  -9.576   7.431  -1.377
  237   1HE   MET  31          1HE       MET  31  -9.122   4.822  -2.026
  238   2HE   MET  31          2HE       MET  31 -10.119   4.209  -3.344
  239   3HE   MET  31          3HE       MET  31  -9.322   5.774  -3.496
  240    H    LEU  32           H        LEU  32 -11.818   8.835   2.122
  241    HA   LEU  32           HA       LEU  32 -13.180  11.440   2.254
  242   1HB   LEU  32          1HB       LEU  32 -14.586   9.302   2.009
  243   2HB   LEU  32          2HB       LEU  32 -14.109   8.950   3.659
  244    HG   LEU  32           HG       LEU  32 -15.179  10.989   4.446
  245   1HD1  LEU  32          1HD1      LEU  32 -16.669  11.727   2.131
  246   2HD1  LEU  32          2HD1      LEU  32 -15.575  12.705   3.109
  247   3HD1  LEU  32          3HD1      LEU  32 -14.947  11.776   1.751
  248   1HD2  LEU  32          1HD2      LEU  32 -17.501  10.396   3.986
  249   2HD2  LEU  32          2HD2      LEU  32 -16.976   9.372   2.647
  250   3HD2  LEU  32          3HD2      LEU  32 -16.522   8.962   4.301
  251    H    VAL  33           H        VAL  33 -11.438  12.394   3.311
  252    HA   VAL  33           HA       VAL  33 -10.551  11.331   5.866
  253    HB   VAL  33           HB       VAL  33  -9.813  14.056   4.831
  254   1HG1  VAL  33          1HG1      VAL  33  -7.863  13.788   6.114
  255   2HG1  VAL  33          2HG1      VAL  33  -9.163  13.149   7.120
  256   3HG1  VAL  33          3HG1      VAL  33  -8.095  12.045   6.254
  257   1HG2  VAL  33          1HG2      VAL  33  -9.228  11.499   3.556
  258   2HG2  VAL  33          2HG2      VAL  33  -9.027  13.142   2.946
  259   3HG2  VAL  33          3HG2      VAL  33  -7.780  12.421   3.964
  Start of MODEL   15
    1   1H    GLY   1          1H        GLY   1   9.086   1.708   3.511
    2   2H    GLY   1          2H        GLY   1  10.555   1.193   4.184
    3   3H    GLY   1          3H        GLY   1   9.812   2.606   4.754
    4   1HA   GLY   1          2HA       GLY   1   9.394   0.936   6.353
    5   2HA   GLY   1          1HA       GLY   1   7.893   1.231   5.484
    6    H    SER   2           H        SER   2   7.072  -0.333   4.118
    7    HA   SER   2           HA       SER   2   8.353  -2.970   4.355
    8   1HB   SER   2          1HB       SER   2   5.522  -2.371   3.473
    9   2HB   SER   2          2HB       SER   2   6.197  -3.939   3.916
   10    HG   SER   2           HG       SER   2   6.234  -1.813   5.771
   11    H    THR   3           H        THR   3   9.484  -3.622   2.656
   12    HA   THR   3           HA       THR   3   8.996  -2.358   0.065
   13    HB   THR   3           HB       THR   3  11.231  -4.269   0.331
   14    HG1  THR   3           1HG      THR   3  11.165  -1.785   1.754
   15   1HG2  THR   3          1HG2      THR   3  11.673  -3.110  -1.547
   16   2HG2  THR   3          2HG2      THR   3  12.178  -1.799  -0.481
   17   3HG2  THR   3          3HG2      THR   3  10.534  -1.834  -1.117
   18    H    GLY   4           H        GLY   4   7.649  -4.779   1.527
   19   1HA   GLY   4          1HA       GLY   4   7.776  -6.812  -0.555
   20   2HA   GLY   4          2HA       GLY   4   6.801  -6.876   0.911
   21    H    ILE   5           H        ILE   5   7.157  -4.727  -1.852
   22    HA   ILE   5           HA       ILE   5   4.600  -3.667  -1.777
   23    HB   ILE   5           HB       ILE   5   6.292  -3.942  -4.262
   24   1HG1  ILE   5          2HG1      ILE   5   7.657  -2.954  -2.524
   25   2HG1  ILE   5          1HG1      ILE   5   7.167  -1.687  -3.647
   26   1HG2  ILE   5          1HG2      ILE   5   4.407  -3.050  -5.128
   27   2HG2  ILE   5          2HG2      ILE   5   3.853  -2.436  -3.571
   28   3HG2  ILE   5          3HG2      ILE   5   5.079  -1.555  -4.480
   29   1HD1  ILE   5          1HD1      ILE   5   6.947  -1.640  -0.895
   30   2HD1  ILE   5          2HD1      ILE   5   6.178  -0.535  -2.035
   31   3HD1  ILE   5          3HD1      ILE   5   5.303  -1.952  -1.453
   32    H    LYS   6           H        LYS   6   2.691  -4.180  -2.597
   33    HA   LYS   6           HA       LYS   6   2.401  -6.755  -4.014
   34   1HB   LYS   6          1HB       LYS   6   0.769  -5.368  -1.923
   35   2HB   LYS   6          2HB       LYS   6  -0.017  -6.459  -3.057
   36   1HG   LYS   6          1HG       LYS   6   0.664  -8.230  -1.920
   37   2HG   LYS   6          2HG       LYS   6   2.343  -7.689  -1.984
   38   1HD   LYS   6          1HD       LYS   6   1.788  -6.131  -0.076
   39   2HD   LYS   6          2HD       LYS   6   0.249  -6.990   0.061
   40   1HE   LYS   6          2HE       LYS   6   1.209  -8.637   1.203
   41   2HE   LYS   6          1HE       LYS   6   2.416  -8.865  -0.062
   42   1HZ   LYS   6          1HZ       LYS   6   3.777  -7.179   0.922
   43   2HZ   LYS   6          2HZ       LYS   6   3.384  -8.316   2.112
   44   3HZ   LYS   6          3HZ       LYS   6   2.592  -6.817   2.083
   45    HA   PRO   7           HA       PRO   7   0.627  -5.011  -7.584
   46   1HB   PRO   7          1HB       PRO   7  -1.957  -6.121  -7.541
   47   2HB   PRO   7          2HB       PRO   7  -0.530  -6.815  -8.310
   48   1HG   PRO   7          1HG       PRO   7  -1.738  -7.427  -5.663
   49   2HG   PRO   7          2HG       PRO   7  -0.887  -8.499  -6.787
   50   1HD   PRO   7          1HD       PRO   7   0.278  -7.635  -4.553
   51   2HD   PRO   7          2HD       PRO   7   1.197  -7.821  -6.059
   52    H    PHE   8           H        PHE   8  -1.277  -4.832  -4.681
   53    HA   PHE   8           HA       PHE   8  -2.459  -2.301  -5.597
   54   1HB   PHE   8          1HB       PHE   8  -3.415  -3.949  -3.256
   55   2HB   PHE   8          2HB       PHE   8  -4.256  -2.630  -4.066
   56    HD1  PHE   8           1HD      PHE   8  -3.321  -6.164  -4.247
   57    HD2  PHE   8           2HD      PHE   8  -5.427  -2.984  -6.133
   58    HE1  PHE   8           1HE      PHE   8  -4.484  -7.785  -5.686
   59    HE2  PHE   8           2HE      PHE   8  -6.585  -4.602  -7.575
   60    HZ   PHE   8           HZ       PHE   8  -6.102  -7.006  -7.363
   61    H    GLN   9           H        GLN   9  -1.762  -0.518  -4.609
   62    HA   GLN   9           HA       GLN   9  -0.358  -0.734  -2.058
   63   1HB   GLN   9          1HB       GLN   9   1.536  -0.938  -3.263
   64   2HB   GLN   9          2HB       GLN   9   0.819  -0.238  -4.706
   65   1HG   GLN   9          1HG       GLN   9   1.828   1.660  -4.307
   66   2HG   GLN   9          2HG       GLN   9   1.045   1.787  -2.741
   67   1HE2  GLN   9          1HE2      GLN   9   2.071   0.610  -0.963
   68   2HE2  GLN   9          2HE2      GLN   9   3.796   0.533  -0.929
   69    H    CYS  10           H        CYS  10  -0.330   1.076  -0.827
   70    HA   CYS  10           HA       CYS  10  -2.108   3.244  -1.587
   71   1HB   CYS  10          1HB       CYS  10  -2.459   2.682   0.656
   72   2HB   CYS  10          2HB       CYS  10  -0.756   2.362   0.941
   73    HA   PRO  11           HA       PRO  11   1.479   5.661  -2.766
   74   1HB   PRO  11          1HB       PRO  11   0.196   7.766  -3.757
   75   2HB   PRO  11          2HB       PRO  11   0.160   6.205  -4.585
   76   1HG   PRO  11          1HG       PRO  11  -1.929   7.501  -2.893
   77   2HG   PRO  11          2HG       PRO  11  -2.120   6.537  -4.368
   78   1HD   PRO  11          1HD       PRO  11  -2.453   5.599  -1.765
   79   2HD   PRO  11          2HD       PRO  11  -2.192   4.586  -3.198
   80    H    ASP  12           H        ASP  12  -0.509   6.113  -0.159
   81    HA   ASP  12           HA       ASP  12   0.544   8.785   0.487
   82   1HB   ASP  12          1HB       ASP  12  -1.961   8.154   0.598
   83   2HB   ASP  12          2HB       ASP  12  -1.536   7.327   2.094
   84    H    CYS  13           H        CYS  13   0.142   5.586   2.020
   85    HA   CYS  13           HA       CYS  13   2.153   6.356   4.030
   86   1HB   CYS  13          1HB       CYS  13   0.560   3.817   4.162
   87   2HB   CYS  13          2HB       CYS  13   1.269   4.751   5.473
   88    H    ASP  14           H        ASP  14   1.804   4.633   1.197
   89    HA   ASP  14           HA       ASP  14   3.220   3.296  -0.001
   90   1HB   ASP  14          1HB       ASP  14   5.024   4.518   1.571
   91   2HB   ASP  14          2HB       ASP  14   5.164   2.889   2.217
   92    H    TRP  15           H        TRP  15   1.064   2.453   1.680
   93    HA   TRP  15           HA       TRP  15   1.774  -0.037   2.937
   94   1HB   TRP  15          1HB       TRP  15  -0.607   1.630   2.633
   95   2HB   TRP  15          2HB       TRP  15  -0.959  -0.087   2.490
   96    HD1  TRP  15           HD       TRP  15  -0.221   2.590   4.985
   97    HE1  TRP  15           1HE      TRP  15  -0.213   1.584   7.365
   98    HE3  TRP  15           3HE      TRP  15  -0.266  -2.373   3.761
   99    HZ2  TRP  15           2HZ      TRP  15  -0.214  -0.981   8.547
  100    HZ3  TRP  15           3HZ      TRP  15  -0.264  -4.038   5.568
  101    HH2  TRP  15           HH       TRP  15  -0.236  -3.356   7.915
  102    H    SER  16           H        SER  16   1.259  -2.125   2.159
  103    HA   SER  16           HA       SER  16   0.522  -2.233  -0.690
  104   1HB   SER  16          1HB       SER  16   2.239  -4.426   0.261
  105   2HB   SER  16          2HB       SER  16   2.320  -3.498  -1.236
  106    HG   SER  16           HG       SER  16   3.090  -2.398   1.250
  107    H    PHE  17           H        PHE  17  -0.992  -3.683  -1.249
  108    HA   PHE  17           HA       PHE  17  -1.852  -5.672   0.739
  109   1HB   PHE  17          1HB       PHE  17  -3.734  -3.896  -0.839
  110   2HB   PHE  17          2HB       PHE  17  -4.201  -5.156   0.297
  111    HD1  PHE  17           1HD      PHE  17  -2.735  -1.806  -0.043
  112    HD2  PHE  17           2HD      PHE  17  -4.180  -4.769   2.648
  113    HE1  PHE  17           1HE      PHE  17  -2.727  -0.152   1.773
  114    HE2  PHE  17           2HE      PHE  17  -4.171  -3.121   4.474
  115    HZ   PHE  17           HZ       PHE  17  -3.446  -0.808   4.038
  116    H    SER  18           H        SER  18  -2.428  -7.626  -0.119
  117    HA   SER  18           HA       SER  18  -1.843  -8.026  -2.931
  118   1HB   SER  18          1HB       SER  18  -2.916 -10.294  -1.375
  119   2HB   SER  18          2HB       SER  18  -1.444 -10.184  -2.343
  120    HG   SER  18           HG       SER  18  -0.683 -10.307  -0.322
  121    H    ARG  19           H        ARG  19  -4.549  -7.348  -1.037
  122    HA   ARG  19           HA       ARG  19  -6.361  -8.195  -3.215
  123   1HB   ARG  19          1HB       ARG  19  -6.673  -8.377  -0.241
  124   2HB   ARG  19          2HB       ARG  19  -8.098  -8.066  -1.223
  125   1HG   ARG  19          1HG       ARG  19  -6.776 -10.187  -2.464
  126   2HG   ARG  19          2HG       ARG  19  -6.712 -10.524  -0.737
  127   1HD   ARG  19          1HD       ARG  19  -9.113 -10.148  -2.496
  128   2HD   ARG  19          2HD       ARG  19  -8.708 -11.515  -1.460
  129    HE   ARG  19           HE       ARG  19  -9.845  -8.954  -0.619
  130   1HH1  ARG  19          2HH1      ARG  19  -8.734 -12.174   0.217
  131   2HH1  ARG  19          1HH1      ARG  19  -9.503 -12.162   1.780
  132   1HH2  ARG  19          2HH2      ARG  19 -10.855  -8.928   1.415
  133   2HH2  ARG  19          1HH2      ARG  19 -10.732 -10.327   2.448
  134    H    SER  20           H        SER  20  -7.536  -6.826  -4.084
  135    HA   SER  20           HA       SER  20  -7.123  -4.097  -3.823
  136   1HB   SER  20          1HB       SER  20  -9.218  -4.124  -5.317
  137   2HB   SER  20          2HB       SER  20  -7.782  -4.942  -5.894
  138    HG   SER  20           HG       SER  20 -10.237  -5.958  -5.203
  139    H    ASP  21           H        ASP  21  -9.591  -6.244  -2.547
  140    HA   ASP  21           HA       ASP  21 -11.351  -4.284  -1.535
  141   1HB   ASP  21          1HB       ASP  21 -12.439  -6.280  -1.497
  142   2HB   ASP  21          2HB       ASP  21 -10.954  -7.193  -1.272
  143    H    HIS  22           H        HIS  22  -8.437  -5.741  -0.261
  144    HA   HIS  22           HA       HIS  22  -8.763  -4.666   2.378
  145   1HB   HIS  22          1HB       HIS  22  -6.684  -6.197   0.948
  146   2HB   HIS  22          2HB       HIS  22  -6.107  -5.143   2.234
  147    HD1  HIS  22           1HD      HIS  22  -5.679  -6.672   4.164
  148    HD2  HIS  22           2HD      HIS  22  -9.306  -7.457   2.278
  149    HE1  HIS  22           1HE      HIS  22  -6.809  -8.436   5.562
  150    HE2  HIS  22           2HE      HIS  22  -9.069  -8.770   4.498
  151    H    LEU  23           H        LEU  23  -7.037  -3.729  -0.560
  152    HA   LEU  23           HA       LEU  23  -5.720  -1.487   0.546
  153   1HB   LEU  23          1HB       LEU  23  -4.960  -2.397  -1.542
  154   2HB   LEU  23          2HB       LEU  23  -6.532  -2.151  -2.281
  155    HG   LEU  23           HG       LEU  23  -6.114   0.358  -1.806
  156   1HD1  LEU  23          1HD1      LEU  23  -3.430   0.509  -2.148
  157   2HD1  LEU  23          2HD1      LEU  23  -4.263   0.690  -0.602
  158   3HD1  LEU  23          3HD1      LEU  23  -3.571  -0.868  -1.052
  159   1HD2  LEU  23          1HD2      LEU  23  -4.566  -1.159  -3.895
  160   2HD2  LEU  23          2HD2      LEU  23  -6.207  -0.529  -4.039
  161   3HD2  LEU  23          3HD2      LEU  23  -4.845   0.583  -3.912
  162    H    ALA  24           H        ALA  24  -8.830  -1.923  -1.084
  163    HA   ALA  24           HA       ALA  24  -9.556   0.811  -1.113
  164   1HB   ALA  24          1HB       ALA  24 -11.016  -1.774  -1.426
  165   2HB   ALA  24          2HB       ALA  24 -11.939  -0.284  -1.217
  166   3HB   ALA  24          3HB       ALA  24 -10.819  -0.445  -2.572
  167    H    LEU  25           H        LEU  25  -9.676  -1.665   1.298
  168    HA   LEU  25           HA       LEU  25 -11.466  -0.345   3.098
  169   1HB   LEU  25          1HB       LEU  25  -9.948  -2.796   3.018
  170   2HB   LEU  25          2HB       LEU  25  -9.726  -2.003   4.566
  171    HG   LEU  25           HG       LEU  25 -12.488  -2.396   3.482
  172   1HD1  LEU  25          1HD1      LEU  25 -11.093  -4.452   5.167
  173   2HD1  LEU  25          2HD1      LEU  25 -12.652  -4.570   4.351
  174   3HD1  LEU  25          3HD1      LEU  25 -11.161  -4.562   3.409
  175   1HD2  LEU  25          1HD2      LEU  25 -12.984  -1.449   5.426
  176   2HD2  LEU  25          2HD2      LEU  25 -12.286  -2.846   6.247
  177   3HD2  LEU  25          3HD2      LEU  25 -11.286  -1.436   5.900
  178    H    HIS  26           H        HIS  26  -8.173  -0.009   2.245
  179    HA   HIS  26           HA       HIS  26  -7.509   1.400   4.709
  180   1HB   HIS  26          1HB       HIS  26  -5.838  -0.162   3.996
  181   2HB   HIS  26          2HB       HIS  26  -5.851   0.477   2.355
  182    HD1  HIS  26           1HD      HIS  26  -4.879   1.597   5.865
  183    HD2  HIS  26           2HD      HIS  26  -4.004   2.378   1.871
  184    HE1  HIS  26           1HE      HIS  26  -2.998   3.293   5.857
  185    H    ARG  27           H        ARG  27  -7.561   1.986   1.193
  186    HA   ARG  27           HA       ARG  27  -6.744   4.704   1.536
  187   1HB   ARG  27          1HB       ARG  27  -7.865   3.408  -0.942
  188   2HB   ARG  27          2HB       ARG  27  -6.936   4.891  -0.865
  189   1HG   ARG  27          1HG       ARG  27  -5.268   3.123   0.347
  190   2HG   ARG  27          2HG       ARG  27  -6.046   2.126  -0.873
  191   1HD   ARG  27          1HD       ARG  27  -3.910   3.878  -1.258
  192   2HD   ARG  27          2HD       ARG  27  -4.868   3.059  -2.498
  193    HE   ARG  27           HE       ARG  27  -5.146   5.834  -1.618
  194   1HH1  ARG  27          2HH1      ARG  27  -6.350   3.222  -3.618
  195   2HH1  ARG  27          1HH1      ARG  27  -7.081   4.275  -4.786
  196   1HH2  ARG  27          2HH2      ARG  27  -6.119   7.233  -3.175
  197   2HH2  ARG  27          1HH2      ARG  27  -6.971   6.536  -4.524
  198    H    LYS  28           H        LYS  28  -9.678   3.294   2.058
  199    HA   LYS  28           HA       LYS  28 -11.491   5.114   0.914
  200   1HB   LYS  28          1HB       LYS  28 -13.061   4.368   2.690
  201   2HB   LYS  28          2HB       LYS  28 -12.294   3.037   1.837
  202   1HG   LYS  28          1HG       LYS  28 -10.893   2.540   3.662
  203   2HG   LYS  28          2HG       LYS  28 -11.268   4.067   4.463
  204   1HD   LYS  28          1HD       LYS  28 -13.707   2.681   3.998
  205   2HD   LYS  28          2HD       LYS  28 -12.567   1.558   4.740
  206   1HE   LYS  28          2HE       LYS  28 -12.128   3.679   6.294
  207   2HE   LYS  28          1HE       LYS  28 -13.790   4.028   5.828
  208   1HZ   LYS  28          1HZ       LYS  28 -14.127   2.747   7.667
  209   2HZ   LYS  28          2HZ       LYS  28 -12.735   1.810   7.428
  210   3HZ   LYS  28          3HZ       LYS  28 -14.114   1.531   6.485
  211    H    ARG  29           H        ARG  29  -9.579   5.257   3.867
  212    HA   ARG  29           HA       ARG  29 -10.867   7.636   4.812
  213   1HB   ARG  29          1HB       ARG  29  -8.808   7.643   6.378
  214   2HB   ARG  29          2HB       ARG  29 -10.023   6.392   6.580
  215   1HG   ARG  29          1HG       ARG  29  -8.599   4.753   6.041
  216   2HG   ARG  29          2HG       ARG  29  -7.852   5.686   4.746
  217   1HD   ARG  29          1HD       ARG  29  -6.776   5.101   7.268
  218   2HD   ARG  29          2HD       ARG  29  -6.110   6.170   6.037
  219    HE   ARG  29           HE       ARG  29  -8.010   7.164   8.070
  220   1HH1  ARG  29          2HH1      ARG  29  -4.821   7.237   6.621
  221   2HH1  ARG  29          1HH1      ARG  29  -4.464   8.844   7.186
  222   1HH2  ARG  29          2HH2      ARG  29  -7.530   9.247   8.844
  223   2HH2  ARG  29          1HH2      ARG  29  -5.986   9.962   8.509
  224    H    HIS  30           H        HIS  30  -8.542   6.982   2.478
  225    HA   HIS  30           HA       HIS  30  -7.044   9.430   2.817
  226   1HB   HIS  30          1HB       HIS  30  -6.965   7.232   0.760
  227   2HB   HIS  30          2HB       HIS  30  -5.992   8.692   0.615
  228    HD1  HIS  30           1HD      HIS  30  -5.210   8.863   3.697
  229    HD2  HIS  30           2HD      HIS  30  -4.900   5.511   1.237
  230    HE1  HIS  30           1HE      HIS  30  -3.466   7.356   4.746
  231    H    MET  31           H        MET  31  -9.551   8.159   0.794
  232    HA   MET  31           HA       MET  31  -9.678  10.623  -0.762
  233   1HB   MET  31          1HB       MET  31 -10.645   7.855  -1.107
  234   2HB   MET  31          2HB       MET  31 -11.739   9.103  -1.687
  235   1HG   MET  31          1HG       MET  31  -9.014   9.596  -2.507
  236   2HG   MET  31          2HG       MET  31  -9.591   8.019  -3.043
  237   1HE   MET  31          1HE       MET  31 -11.518  12.061  -3.837
  238   2HE   MET  31          2HE       MET  31 -10.360  11.610  -2.588
  239   3HE   MET  31          3HE       MET  31  -9.802  11.954  -4.226
  240    H    LEU  32           H        LEU  32 -10.806   9.583   2.109
  241    HA   LEU  32           HA       LEU  32 -12.424  10.230   3.552
  242   1HB   LEU  32          1HB       LEU  32 -12.899  12.427   1.534
  243   2HB   LEU  32          2HB       LEU  32 -13.584  12.379   3.147
  244    HG   LEU  32           HG       LEU  32 -10.633  12.538   2.525
  245   1HD1  LEU  32          1HD1      LEU  32 -11.216  14.660   2.024
  246   2HD1  LEU  32          2HD1      LEU  32 -12.723  14.583   2.937
  247   3HD1  LEU  32          3HD1      LEU  32 -11.194  14.836   3.778
  248   1HD2  LEU  32          1HD2      LEU  32 -12.207  12.316   5.047
  249   2HD2  LEU  32          2HD2      LEU  32 -10.683  11.553   4.598
  250   3HD2  LEU  32          3HD2      LEU  32 -10.718  13.260   5.039
  251    H    VAL  33           H        VAL  33 -13.115   8.127   2.242
  252    HA   VAL  33           HA       VAL  33 -15.667   8.500   0.881
  253    HB   VAL  33           HB       VAL  33 -14.103   5.964   1.409
  254   1HG1  VAL  33          1HG1      VAL  33 -16.731   6.133   0.772
  255   2HG1  VAL  33          2HG1      VAL  33 -15.999   6.078  -0.830
  256   3HG1  VAL  33          3HG1      VAL  33 -15.683   4.786   0.328
  257   1HG2  VAL  33          1HG2      VAL  33 -13.758   8.073  -0.542
  258   2HG2  VAL  33          2HG2      VAL  33 -12.715   6.699  -0.169
  259   3HG2  VAL  33          3HG2      VAL  33 -14.049   6.512  -1.309
  Start of MODEL   16
    1   1H    GLY   1          1H        GLY   1  11.767  -1.003   8.570
    2   2H    GLY   1          2H        GLY   1  10.285  -0.786   7.777
    3   3H    GLY   1          3H        GLY   1  11.685  -1.123   6.885
    4   1HA   GLY   1          2HA       GLY   1  11.493  -3.184   8.688
    5   2HA   GLY   1          1HA       GLY   1   9.856  -2.919   8.097
    6    H    SER   2           H        SER   2  10.066  -5.031   7.094
    7    HA   SER   2           HA       SER   2  11.916  -5.267   4.877
    8   1HB   SER   2          1HB       SER   2   9.735  -7.246   5.194
    9   2HB   SER   2          2HB       SER   2  11.458  -7.501   4.916
   10    HG   SER   2           HG       SER   2  11.840  -7.449   7.025
   11    H    THR   3           H        THR   3  11.475  -4.844   2.822
   12    HA   THR   3           HA       THR   3   9.008  -3.525   2.175
   13    HB   THR   3           HB       THR   3  11.092  -4.289   0.152
   14    HG1  THR   3           1HG      THR   3  11.312  -2.502   2.328
   15   1HG2  THR   3          1HG2      THR   3  10.010  -1.564   0.272
   16   2HG2  THR   3          2HG2      THR   3   8.804  -2.814  -0.037
   17   3HG2  THR   3          3HG2      THR   3  10.198  -2.648  -1.106
   18    H    GLY   4           H        GLY   4   7.398  -4.195   0.822
   19   1HA   GLY   4          1HA       GLY   4   7.590  -6.726  -0.588
   20   2HA   GLY   4          2HA       GLY   4   6.482  -6.716   0.779
   21    H    ILE   5           H        ILE   5   7.243  -5.044  -2.247
   22    HA   ILE   5           HA       ILE   5   4.850  -3.545  -2.324
   23    HB   ILE   5           HB       ILE   5   6.611  -4.343  -4.649
   24   1HG1  ILE   5          2HG1      ILE   5   7.873  -3.156  -2.918
   25   2HG1  ILE   5          1HG1      ILE   5   7.656  -2.132  -4.337
   26   1HG2  ILE   5          1HG2      ILE   5   5.185  -3.267  -5.965
   27   2HG2  ILE   5          2HG2      ILE   5   4.118  -3.002  -4.586
   28   3HG2  ILE   5          3HG2      ILE   5   5.357  -1.811  -4.985
   29   1HD1  ILE   5          1HD1      ILE   5   6.068  -1.974  -1.785
   30   2HD1  ILE   5          2HD1      ILE   5   7.353  -0.875  -2.288
   31   3HD1  ILE   5          3HD1      ILE   5   5.847  -0.951  -3.204
   32    H    LYS   6           H        LYS   6   2.879  -4.234  -2.596
   33    HA   LYS   6           HA       LYS   6   2.371  -6.776  -3.986
   34   1HB   LYS   6          1HB       LYS   6   0.984  -5.248  -1.837
   35   2HB   LYS   6          2HB       LYS   6   0.016  -6.250  -2.911
   36   1HG   LYS   6          1HG       LYS   6   0.594  -8.085  -1.814
   37   2HG   LYS   6          2HG       LYS   6   2.311  -7.713  -1.991
   38   1HD   LYS   6          1HD       LYS   6   1.458  -5.931  -0.064
   39   2HD   LYS   6          2HD       LYS   6   0.556  -7.402   0.311
   40   1HE   LYS   6          2HE       LYS   6   2.701  -8.657   0.250
   41   2HE   LYS   6          1HE       LYS   6   3.548  -7.127   0.029
   42   1HZ   LYS   6          1HZ       LYS   6   1.722  -7.229   2.281
   43   2HZ   LYS   6          2HZ       LYS   6   3.283  -6.568   2.177
   44   3HZ   LYS   6          3HZ       LYS   6   3.078  -8.238   2.404
   45    HA   PRO   7           HA       PRO   7   0.532  -5.100  -7.544
   46   1HB   PRO   7          1HB       PRO   7  -2.045  -6.212  -7.433
   47   2HB   PRO   7          2HB       PRO   7  -0.625  -6.943  -8.181
   48   1HG   PRO   7          1HG       PRO   7  -1.827  -7.440  -5.510
   49   2HG   PRO   7          2HG       PRO   7  -0.988  -8.562  -6.591
   50   1HD   PRO   7          1HD       PRO   7   0.172  -7.596  -4.384
   51   2HD   PRO   7          2HD       PRO   7   1.099  -7.897  -5.865
   52    H    PHE   8           H        PHE   8  -1.206  -4.748  -4.562
   53    HA   PHE   8           HA       PHE   8  -2.423  -2.272  -5.586
   54   1HB   PHE   8          1HB       PHE   8  -3.438  -3.895  -3.247
   55   2HB   PHE   8          2HB       PHE   8  -4.244  -2.553  -4.055
   56    HD1  PHE   8           1HD      PHE   8  -3.401  -6.103  -4.223
   57    HD2  PHE   8           2HD      PHE   8  -5.338  -2.859  -6.186
   58    HE1  PHE   8           1HE      PHE   8  -4.573  -7.691  -5.700
   59    HE2  PHE   8           2HE      PHE   8  -6.494  -4.440  -7.672
   60    HZ   PHE   8           HZ       PHE   8  -6.109  -6.861  -7.434
   61    H    GLN   9           H        GLN   9  -1.336  -0.574  -4.863
   62    HA   GLN   9           HA       GLN   9  -0.133  -0.727  -2.186
   63   1HB   GLN   9          1HB       GLN   9   1.738  -0.882  -3.469
   64   2HB   GLN   9          2HB       GLN   9   1.019  -0.019  -4.820
   65   1HG   GLN   9          1HG       GLN   9   2.185   1.745  -4.221
   66   2HG   GLN   9          2HG       GLN   9   1.198   1.847  -2.772
   67   1HE2  GLN   9          1HE2      GLN   9   1.933   0.432  -0.958
   68   2HE2  GLN   9          2HE2      GLN   9   3.640   0.304  -0.689
   69    H    CYS  10           H        CYS  10  -0.375   0.948  -0.863
   70    HA   CYS  10           HA       CYS  10  -2.143   3.103  -1.594
   71   1HB   CYS  10          1HB       CYS  10  -2.517   2.625   0.626
   72   2HB   CYS  10          2HB       CYS  10  -0.861   2.108   0.898
   73    HA   PRO  11           HA       PRO  11   1.305   5.710  -2.750
   74   1HB   PRO  11          1HB       PRO  11  -0.089   7.723  -3.773
   75   2HB   PRO  11          2HB       PRO  11  -0.064   6.148  -4.573
   76   1HG   PRO  11          1HG       PRO  11  -2.183   7.362  -2.848
   77   2HG   PRO  11          2HG       PRO  11  -2.355   6.404  -4.328
   78   1HD   PRO  11          1HD       PRO  11  -2.617   5.426  -1.742
   79   2HD   PRO  11          2HD       PRO  11  -2.300   4.440  -3.182
   80    H    ASP  12           H        ASP  12  -0.551   5.986  -0.079
   81    HA   ASP  12           HA       ASP  12   0.290   8.756   0.492
   82   1HB   ASP  12          1HB       ASP  12  -2.186   7.864   0.658
   83   2HB   ASP  12          2HB       ASP  12  -1.647   7.289   2.232
   84    H    CYS  13           H        CYS  13   0.042   5.579   2.092
   85    HA   CYS  13           HA       CYS  13   2.079   6.490   4.020
   86   1HB   CYS  13          1HB       CYS  13   0.555   3.966   4.447
   87   2HB   CYS  13          2HB       CYS  13   1.152   5.125   5.627
   88    H    ASP  14           H        ASP  14   1.605   4.597   1.329
   89    HA   ASP  14           HA       ASP  14   2.927   3.153   0.169
   90   1HB   ASP  14          1HB       ASP  14   4.849   4.428   1.515
   91   2HB   ASP  14          2HB       ASP  14   4.971   2.866   2.319
   92    H    TRP  15           H        TRP  15   0.818   2.384   1.778
   93    HA   TRP  15           HA       TRP  15   1.564  -0.040   3.184
   94   1HB   TRP  15          1HB       TRP  15  -0.905   1.529   2.743
   95   2HB   TRP  15          2HB       TRP  15  -1.131  -0.210   2.875
   96    HD1  TRP  15           HD       TRP  15  -0.147   2.850   4.916
   97    HE1  TRP  15           1HE      TRP  15  -0.197   2.234   7.416
   98    HE3  TRP  15           3HE      TRP  15  -0.810  -2.197   4.481
   99    HZ2  TRP  15           2HZ      TRP  15  -0.486  -0.096   8.988
  100    HZ3  TRP  15           3HZ      TRP  15  -0.962  -3.549   6.530
  101    HH2  TRP  15           HH       TRP  15  -0.796  -2.520   8.738
  102    H    SER  16           H        SER  16   1.185  -2.151   2.403
  103    HA   SER  16           HA       SER  16   0.596  -2.276  -0.482
  104   1HB   SER  16          1HB       SER  16   2.177  -4.515   0.310
  105   2HB   SER  16          2HB       SER  16   2.616  -3.201  -0.783
  106    HG   SER  16           HG       SER  16   3.594  -2.139   0.836
  107    H    PHE  17           H        PHE  17  -0.903  -3.676  -1.163
  108    HA   PHE  17           HA       PHE  17  -1.897  -5.710   0.721
  109   1HB   PHE  17          1HB       PHE  17  -3.634  -3.843  -0.914
  110   2HB   PHE  17          2HB       PHE  17  -4.204  -5.112   0.165
  111    HD1  PHE  17           1HD      PHE  17  -4.148  -4.837   2.553
  112    HD2  PHE  17           2HD      PHE  17  -2.732  -1.778  -0.046
  113    HE1  PHE  17           1HE      PHE  17  -4.153  -3.246   4.428
  114    HE2  PHE  17           2HE      PHE  17  -2.738  -0.178   1.822
  115    HZ   PHE  17           HZ       PHE  17  -3.450  -0.913   4.064
  116    H    SER  18           H        SER  18  -2.522  -7.610  -0.187
  117    HA   SER  18           HA       SER  18  -1.882  -8.003  -2.995
  118   1HB   SER  18          1HB       SER  18  -2.885 -10.390  -1.867
  119   2HB   SER  18          2HB       SER  18  -1.195  -9.974  -2.171
  120    HG   SER  18           HG       SER  18  -2.276 -10.398   0.148
  121    H    ARG  19           H        ARG  19  -4.557  -7.226  -1.144
  122    HA   ARG  19           HA       ARG  19  -6.399  -8.107  -3.279
  123   1HB   ARG  19          1HB       ARG  19  -6.581  -8.471  -0.371
  124   2HB   ARG  19          2HB       ARG  19  -8.012  -7.741  -1.080
  125   1HG   ARG  19          1HG       ARG  19  -8.408  -9.587  -2.466
  126   2HG   ARG  19          2HG       ARG  19  -6.793 -10.245  -2.194
  127   1HD   ARG  19          1HD       ARG  19  -8.545 -11.470  -0.968
  128   2HD   ARG  19          2HD       ARG  19  -7.343 -10.749   0.099
  129    HE   ARG  19           HE       ARG  19  -9.451  -8.939  -0.148
  130   1HH1  ARG  19          2HH1      ARG  19  -8.945 -12.178   1.070
  131   2HH1  ARG  19          1HH1      ARG  19 -10.101 -12.012   2.356
  132   1HH2  ARG  19          2HH2      ARG  19 -10.969  -8.694   1.535
  133   2HH2  ARG  19          1HH2      ARG  19 -11.277 -10.037   2.612
  134    H    SER  20           H        SER  20  -7.595  -6.705  -4.175
  135    HA   SER  20           HA       SER  20  -7.141  -3.980  -3.963
  136   1HB   SER  20          1HB       SER  20  -9.053  -3.849  -5.472
  137   2HB   SER  20          2HB       SER  20  -7.977  -5.135  -5.952
  138    HG   SER  20           HG       SER  20 -10.549  -5.251  -4.843
  139    H    ASP  21           H        ASP  21  -9.641  -6.045  -2.588
  140    HA   ASP  21           HA       ASP  21 -11.284  -4.012  -1.526
  141   1HB   ASP  21          1HB       ASP  21 -12.487  -5.922  -1.398
  142   2HB   ASP  21          2HB       ASP  21 -11.042  -6.924  -1.333
  143    H    HIS  22           H        HIS  22  -8.462  -5.693  -0.288
  144    HA   HIS  22           HA       HIS  22  -8.625  -4.651   2.358
  145   1HB   HIS  22          1HB       HIS  22  -6.641  -6.146   0.762
  146   2HB   HIS  22          2HB       HIS  22  -5.994  -5.191   2.090
  147    HD1  HIS  22           1HD      HIS  22  -5.489  -6.900   3.835
  148    HD2  HIS  22           2HD      HIS  22  -9.277  -7.390   2.174
  149    HE1  HIS  22           1HE      HIS  22  -6.603  -8.704   5.193
  150    HE2  HIS  22           2HE      HIS  22  -8.940  -8.873   4.275
  151    H    LEU  23           H        LEU  23  -6.988  -3.642  -0.602
  152    HA   LEU  23           HA       LEU  23  -5.588  -1.455   0.515
  153   1HB   LEU  23          1HB       LEU  23  -4.940  -2.336  -1.635
  154   2HB   LEU  23          2HB       LEU  23  -6.528  -1.998  -2.296
  155    HG   LEU  23           HG       LEU  23  -6.038   0.459  -1.825
  156   1HD1  LEU  23          1HD1      LEU  23  -3.443  -0.798  -1.145
  157   2HD1  LEU  23          2HD1      LEU  23  -3.429   0.754  -1.983
  158   3HD1  LEU  23          3HD1      LEU  23  -4.256   0.595  -0.432
  159   1HD2  LEU  23          1HD2      LEU  23  -4.674   0.693  -3.871
  160   2HD2  LEU  23          2HD2      LEU  23  -4.416  -1.051  -3.864
  161   3HD2  LEU  23          3HD2      LEU  23  -6.043  -0.401  -4.073
  162    H    ALA  24           H        ALA  24  -8.733  -1.768  -1.078
  163    HA   ALA  24           HA       ALA  24  -9.406   0.967  -0.988
  164   1HB   ALA  24          1HB       ALA  24 -10.597  -1.428  -1.884
  165   2HB   ALA  24          2HB       ALA  24 -11.757  -0.635  -0.819
  166   3HB   ALA  24          3HB       ALA  24 -11.100   0.230  -2.211
  167    H    LEU  25           H        LEU  25  -9.751  -1.651   1.318
  168    HA   LEU  25           HA       LEU  25 -11.484  -0.302   3.122
  169   1HB   LEU  25          1HB       LEU  25 -10.139  -2.813   2.970
  170   2HB   LEU  25          2HB       LEU  25  -9.781  -2.097   4.530
  171    HG   LEU  25           HG       LEU  25 -12.622  -2.107   3.665
  172   1HD1  LEU  25          1HD1      LEU  25 -12.105  -4.545   5.038
  173   2HD1  LEU  25          2HD1      LEU  25 -12.823  -4.300   3.447
  174   3HD1  LEU  25          3HD1      LEU  25 -11.076  -4.476   3.606
  175   1HD2  LEU  25          1HD2      LEU  25 -11.209  -2.608   6.287
  176   2HD2  LEU  25          2HD2      LEU  25 -11.977  -1.103   5.781
  177   3HD2  LEU  25          3HD2      LEU  25 -12.957  -2.542   6.060
  178    H    HIS  26           H        HIS  26  -8.149  -0.082   2.409
  179    HA   HIS  26           HA       HIS  26  -7.538   1.313   4.900
  180   1HB   HIS  26          1HB       HIS  26  -5.847  -0.250   4.269
  181   2HB   HIS  26          2HB       HIS  26  -5.857   0.309   2.601
  182    HD1  HIS  26           1HD      HIS  26  -4.806   1.560   6.045
  183    HD2  HIS  26           2HD      HIS  26  -4.059   2.201   2.010
  184    HE1  HIS  26           1HE      HIS  26  -2.921   3.245   5.924
  185    H    ARG  27           H        ARG  27  -7.673   1.840   1.399
  186    HA   ARG  27           HA       ARG  27  -6.886   4.584   1.648
  187   1HB   ARG  27          1HB       ARG  27  -7.821   2.971  -0.726
  188   2HB   ARG  27          2HB       ARG  27  -7.218   4.612  -0.807
  189   1HG   ARG  27          1HG       ARG  27  -5.233   3.328   0.560
  190   2HG   ARG  27          2HG       ARG  27  -5.772   2.103  -0.578
  191   1HD   ARG  27          1HD       ARG  27  -3.889   3.676  -1.300
  192   2HD   ARG  27          2HD       ARG  27  -5.227   3.402  -2.418
  193    HE   ARG  27           HE       ARG  27  -4.986   5.810  -0.732
  194   1HH1  ARG  27          2HH1      ARG  27  -5.896   4.249  -3.726
  195   2HH1  ARG  27          1HH1      ARG  27  -6.131   5.751  -4.580
  196   1HH2  ARG  27          2HH2      ARG  27  -5.289   7.784  -1.846
  197   2HH2  ARG  27          1HH2      ARG  27  -5.805   7.753  -3.504
  198    H    LYS  28           H        LYS  28  -9.576   3.381   2.675
  199    HA   LYS  28           HA       LYS  28 -11.571   4.946   1.369
  200   1HB   LYS  28          1HB       LYS  28 -12.996   4.392   3.273
  201   2HB   LYS  28          2HB       LYS  28 -12.170   2.956   2.688
  202   1HG   LYS  28          1HG       LYS  28 -11.449   2.567   4.736
  203   2HG   LYS  28          2HG       LYS  28 -10.531   4.074   4.686
  204   1HD   LYS  28          1HD       LYS  28 -11.824   4.710   6.401
  205   2HD   LYS  28          2HD       LYS  28 -13.081   4.951   5.185
  206   1HE   LYS  28          2HE       LYS  28 -14.148   2.976   5.707
  207   2HE   LYS  28          1HE       LYS  28 -12.691   2.245   6.376
  208   1HZ   LYS  28          1HZ       LYS  28 -13.216   2.961   8.391
  209   2HZ   LYS  28          2HZ       LYS  28 -14.730   3.417   7.779
  210   3HZ   LYS  28          3HZ       LYS  28 -13.471   4.552   7.855
  211    H    ARG  29           H        ARG  29  -9.316   5.407   3.994
  212    HA   ARG  29           HA       ARG  29 -10.317   8.065   4.572
  213   1HB   ARG  29          1HB       ARG  29  -8.521   8.107   6.271
  214   2HB   ARG  29          2HB       ARG  29  -9.609   6.748   6.475
  215   1HG   ARG  29          1HG       ARG  29  -7.967   5.266   6.223
  216   2HG   ARG  29          2HG       ARG  29  -7.311   6.106   4.816
  217   1HD   ARG  29          1HD       ARG  29  -5.609   6.213   6.425
  218   2HD   ARG  29          2HD       ARG  29  -6.373   7.801   6.466
  219    HE   ARG  29           HE       ARG  29  -7.690   6.415   8.397
  220   1HH1  ARG  29          2HH1      ARG  29  -4.312   7.082   7.764
  221   2HH1  ARG  29          1HH1      ARG  29  -3.856   6.993   9.436
  222   1HH2  ARG  29          2HH2      ARG  29  -7.096   6.303  10.583
  223   2HH2  ARG  29          1HH2      ARG  29  -5.433   6.541  11.045
  224    H    HIS  30           H        HIS  30  -9.105   7.172   1.985
  225    HA   HIS  30           HA       HIS  30  -7.026   9.249   1.810
  226   1HB   HIS  30          1HB       HIS  30  -7.092   6.558   0.441
  227   2HB   HIS  30          2HB       HIS  30  -6.029   7.868  -0.053
  228    HD1  HIS  30           1HD      HIS  30  -5.656   8.442   3.286
  229    HD2  HIS  30           2HD      HIS  30  -4.681   5.151   0.933
  230    HE1  HIS  30           1HE      HIS  30  -3.845   7.173   4.526
  231    H    MET  31           H        MET  31  -9.966   9.178   1.349
  232    HA   MET  31           HA       MET  31 -10.263   9.377  -1.526
  233   1HB   MET  31          1HB       MET  31 -12.131   9.731   0.812
  234   2HB   MET  31          2HB       MET  31 -12.609  10.195  -0.814
  235   1HG   MET  31          1HG       MET  31 -12.187   7.899  -1.573
  236   2HG   MET  31          2HG       MET  31 -11.768   7.448   0.076
  237   1HE   MET  31          1HE       MET  31 -13.757   5.422  -0.363
  238   2HE   MET  31          2HE       MET  31 -15.343   5.892  -0.972
  239   3HE   MET  31          3HE       MET  31 -13.901   6.187  -1.945
  240    H    LEU  32           H        LEU  32  -9.843  11.429   1.243
  241    HA   LEU  32           HA       LEU  32 -10.089  13.838  -0.408
  242   1HB   LEU  32          1HB       LEU  32 -10.226  13.243   2.478
  243   2HB   LEU  32          2HB       LEU  32  -9.415  14.742   2.063
  244    HG   LEU  32           HG       LEU  32 -11.953  14.411   0.661
  245   1HD1  LEU  32          1HD1      LEU  32 -12.870  15.185   3.153
  246   2HD1  LEU  32          2HD1      LEU  32 -13.178  13.642   2.354
  247   3HD1  LEU  32          3HD1      LEU  32 -11.837  13.795   3.490
  248   1HD2  LEU  32          1HD2      LEU  32 -12.273  16.697   1.659
  249   2HD2  LEU  32          2HD2      LEU  32 -10.677  16.517   2.388
  250   3HD2  LEU  32          3HD2      LEU  32 -10.850  16.509   0.633
  251    H    VAL  33           H        VAL  33  -8.140  13.119  -1.609
  252    HA   VAL  33           HA       VAL  33  -5.748  14.187  -0.304
  253    HB   VAL  33           HB       VAL  33  -4.307  12.458  -1.283
  254   1HG1  VAL  33          1HG1      VAL  33  -6.380  11.793   0.722
  255   2HG1  VAL  33          2HG1      VAL  33  -5.380  10.471   0.119
  256   3HG1  VAL  33          3HG1      VAL  33  -4.626  11.872   0.884
  257   1HG2  VAL  33          1HG2      VAL  33  -5.055  11.196  -2.942
  258   2HG2  VAL  33          2HG2      VAL  33  -6.074  10.341  -1.783
  259   3HG2  VAL  33          3HG2      VAL  33  -6.712  11.732  -2.661
  Start of MODEL   17
    1   1H    GLY   1          1H        GLY   1  16.327  -1.989  -2.928
    2   2H    GLY   1          2H        GLY   1  15.277  -0.658  -2.890
    3   3H    GLY   1          3H        GLY   1  14.696  -2.179  -3.363
    4   1HA   GLY   1          2HA       GLY   1  15.865  -1.774  -0.685
    5   2HA   GLY   1          1HA       GLY   1  14.185  -1.368  -1.004
    6    H    SER   2           H        SER   2  14.055  -3.091   0.756
    7    HA   SER   2           HA       SER   2  13.717  -5.701  -0.573
    8   1HB   SER   2          1HB       SER   2  14.338  -5.688   2.333
    9   2HB   SER   2          2HB       SER   2  14.788  -6.852   1.086
   10    HG   SER   2           HG       SER   2  16.385  -5.428   0.374
   11    H    THR   3           H        THR   3  11.775  -3.636  -0.238
   12    HA   THR   3           HA       THR   3  10.115  -4.400   1.998
   13    HB   THR   3           HB       THR   3  10.300  -2.048   0.915
   14    HG1  THR   3           1HG      THR   3   8.549  -1.649   2.047
   15   1HG2  THR   3          1HG2      THR   3   7.913  -2.703  -0.674
   16   2HG2  THR   3          2HG2      THR   3   9.441  -3.291  -1.331
   17   3HG2  THR   3          3HG2      THR   3   9.224  -1.571  -1.006
   18    H    GLY   4           H        GLY   4   7.615  -4.658   1.215
   19   1HA   GLY   4          1HA       GLY   4   7.665  -6.917  -0.687
   20   2HA   GLY   4          2HA       GLY   4   6.693  -6.916   0.778
   21    H    ILE   5           H        ILE   5   7.235  -4.962  -2.124
   22    HA   ILE   5           HA       ILE   5   4.766  -3.627  -2.028
   23    HB   ILE   5           HB       ILE   5   6.646  -4.146  -4.328
   24   1HG1  ILE   5          2HG1      ILE   5   7.617  -2.656  -2.762
   25   2HG1  ILE   5          1HG1      ILE   5   6.975  -1.633  -4.049
   26   1HG2  ILE   5          1HG2      ILE   5   3.957  -3.488  -4.604
   27   2HG2  ILE   5          2HG2      ILE   5   4.813  -1.954  -4.766
   28   3HG2  ILE   5          3HG2      ILE   5   5.221  -3.308  -5.821
   29   1HD1  ILE   5          1HD1      ILE   5   5.851  -2.081  -1.301
   30   2HD1  ILE   5          2HD1      ILE   5   6.432  -0.578  -2.019
   31   3HD1  ILE   5          3HD1      ILE   5   4.937  -1.312  -2.598
   32    H    LYS   6           H        LYS   6   2.805  -4.209  -2.515
   33    HA   LYS   6           HA       LYS   6   2.335  -6.797  -3.836
   34   1HB   LYS   6          1HB       LYS   6   0.915  -5.252  -1.725
   35   2HB   LYS   6          2HB       LYS   6  -0.046  -6.239  -2.820
   36   1HG   LYS   6          1HG       LYS   6   0.342  -7.906  -1.406
   37   2HG   LYS   6          2HG       LYS   6   1.968  -7.949  -2.093
   38   1HD   LYS   6          1HD       LYS   6   2.810  -6.553  -0.338
   39   2HD   LYS   6          2HD       LYS   6   1.179  -6.254   0.278
   40   1HE   LYS   6          2HE       LYS   6   1.016  -8.328   1.232
   41   2HE   LYS   6          1HE       LYS   6   2.123  -9.068   0.077
   42   1HZ   LYS   6          1HZ       LYS   6   2.899  -8.706   2.478
   43   2HZ   LYS   6          2HZ       LYS   6   3.100  -7.082   2.030
   44   3HZ   LYS   6          3HZ       LYS   6   3.963  -8.302   1.223
   45    HA   PRO   7           HA       PRO   7   0.557  -5.169  -7.448
   46   1HB   PRO   7          1HB       PRO   7  -2.008  -6.303  -7.382
   47   2HB   PRO   7          2HB       PRO   7  -0.563  -7.040  -8.076
   48   1HG   PRO   7          1HG       PRO   7  -1.831  -7.487  -5.421
   49   2HG   PRO   7          2HG       PRO   7  -0.971  -8.630  -6.466
   50   1HD   PRO   7          1HD       PRO   7   0.157  -7.624  -4.260
   51   2HD   PRO   7          2HD       PRO   7   1.105  -7.944  -5.724
   52    H    PHE   8           H        PHE   8  -1.254  -4.836  -4.511
   53    HA   PHE   8           HA       PHE   8  -2.485  -2.388  -5.572
   54   1HB   PHE   8          1HB       PHE   8  -3.515  -3.955  -3.208
   55   2HB   PHE   8          2HB       PHE   8  -4.340  -2.688  -4.112
   56    HD1  PHE   8           1HD      PHE   8  -3.421  -6.211  -4.020
   57    HD2  PHE   8           2HD      PHE   8  -5.295  -3.145  -6.306
   58    HE1  PHE   8           1HE      PHE   8  -4.472  -7.920  -5.445
   59    HE2  PHE   8           2HE      PHE   8  -6.338  -4.848  -7.742
   60    HZ   PHE   8           HZ       PHE   8  -5.913  -7.240  -7.322
   61    H    GLN   9           H        GLN   9  -1.636  -0.609  -4.781
   62    HA   GLN   9           HA       GLN   9  -0.266  -0.737  -2.185
   63   1HB   GLN   9          1HB       GLN   9   1.601  -0.758  -3.427
   64   2HB   GLN   9          2HB       GLN   9   0.767  -0.184  -4.862
   65   1HG   GLN   9          1HG       GLN   9   1.694   1.777  -4.588
   66   2HG   GLN   9          2HG       GLN   9   0.854   1.966  -3.059
   67   1HE2  GLN   9          1HE2      GLN   9   2.132   2.460  -1.460
   68   2HE2  GLN   9          2HE2      GLN   9   3.774   1.945  -1.260
   69    H    CYS  10           H        CYS  10  -0.274   1.061  -0.911
   70    HA   CYS  10           HA       CYS  10  -2.135   3.185  -1.628
   71   1HB   CYS  10          1HB       CYS  10  -2.518   2.602   0.599
   72   2HB   CYS  10          2HB       CYS  10  -0.820   2.273   0.907
   73    HA   PRO  11           HA       PRO  11   1.473   5.616  -2.713
   74   1HB   PRO  11          1HB       PRO  11   0.196   7.621  -3.908
   75   2HB   PRO  11          2HB       PRO  11   0.302   6.026  -4.657
   76   1HG   PRO  11          1HG       PRO  11  -1.990   7.298  -3.232
   77   2HG   PRO  11          2HG       PRO  11  -1.994   6.245  -4.656
   78   1HD   PRO  11          1HD       PRO  11  -2.521   5.440  -2.039
   79   2HD   PRO  11          2HD       PRO  11  -2.096   4.368  -3.385
   80    H    ASP  12           H        ASP  12  -0.504   5.964  -0.184
   81    HA   ASP  12           HA       ASP  12   0.301   8.736   0.424
   82   1HB   ASP  12          1HB       ASP  12  -2.160   7.985   0.547
   83   2HB   ASP  12          2HB       ASP  12  -1.693   7.105   1.996
   84    H    CYS  13           H        CYS  13   0.062   5.532   1.993
   85    HA   CYS  13           HA       CYS  13   2.096   6.422   3.939
   86   1HB   CYS  13          1HB       CYS  13   0.550   3.892   4.287
   87   2HB   CYS  13          2HB       CYS  13   1.217   4.970   5.504
   88    H    ASP  14           H        ASP  14   1.887   4.725   1.140
   89    HA   ASP  14           HA       ASP  14   3.287   3.293   0.051
   90   1HB   ASP  14          1HB       ASP  14   5.039   4.544   1.629
   91   2HB   ASP  14          2HB       ASP  14   5.128   2.954   2.377
   92    H    TRP  15           H        TRP  15   1.073   2.490   1.703
   93    HA   TRP  15           HA       TRP  15   1.778  -0.001   2.977
   94   1HB   TRP  15          1HB       TRP  15  -0.647   1.640   2.631
   95   2HB   TRP  15          2HB       TRP  15  -0.937  -0.092   2.632
   96    HD1  TRP  15           HD       TRP  15  -0.071   2.797   4.908
   97    HE1  TRP  15           1HE      TRP  15  -0.078   1.983   7.350
   98    HE3  TRP  15           3HE      TRP  15  -0.432  -2.239   4.087
   99    HZ2  TRP  15           2HZ      TRP  15  -0.230  -0.461   8.738
  100    HZ3  TRP  15           3HZ      TRP  15  -0.512  -3.743   6.031
  101    HH2  TRP  15           HH       TRP  15  -0.415  -2.871   8.307
  102    H    SER  16           H        SER  16   1.150  -2.089   2.206
  103    HA   SER  16           HA       SER  16   0.430  -2.195  -0.642
  104   1HB   SER  16          1HB       SER  16   2.443  -4.112   0.491
  105   2HB   SER  16          2HB       SER  16   2.169  -3.650  -1.188
  106    HG   SER  16           HG       SER  16   2.800  -1.431  -0.058
  107    H    PHE  17           H        PHE  17  -1.031  -3.698  -1.186
  108    HA   PHE  17           HA       PHE  17  -1.798  -5.712   0.823
  109   1HB   PHE  17          1HB       PHE  17  -3.710  -3.966  -0.751
  110   2HB   PHE  17          2HB       PHE  17  -4.162  -5.226   0.392
  111    HD1  PHE  17           1HD      PHE  17  -2.817  -1.843   0.016
  112    HD2  PHE  17           2HD      PHE  17  -4.010  -4.876   2.755
  113    HE1  PHE  17           1HE      PHE  17  -2.779  -0.195   1.841
  114    HE2  PHE  17           2HE      PHE  17  -3.970  -3.237   4.591
  115    HZ   PHE  17           HZ       PHE  17  -3.356  -0.895   4.136
  116    H    SER  18           H        SER  18  -2.424  -7.670   0.002
  117    HA   SER  18           HA       SER  18  -1.888  -8.128  -2.812
  118   1HB   SER  18          1HB       SER  18  -2.982 -10.266  -1.033
  119   2HB   SER  18          2HB       SER  18  -1.755 -10.376  -2.293
  120    HG   SER  18           HG       SER  18  -0.526 -10.470  -0.551
  121    H    ARG  19           H        ARG  19  -4.525  -7.294  -0.910
  122    HA   ARG  19           HA       ARG  19  -6.422  -8.263  -2.958
  123   1HB   ARG  19          1HB       ARG  19  -6.547  -8.263  -0.034
  124   2HB   ARG  19          2HB       ARG  19  -7.946  -7.512  -0.775
  125   1HG   ARG  19          1HG       ARG  19  -8.443  -9.491  -2.014
  126   2HG   ARG  19          2HG       ARG  19  -6.938 -10.251  -1.491
  127   1HD   ARG  19          1HD       ARG  19  -8.545 -11.191  -0.090
  128   2HD   ARG  19          2HD       ARG  19  -7.823  -9.915   0.892
  129    HE   ARG  19           HE       ARG  19  -9.794  -8.598   0.548
  130   1HH1  ARG  19          2HH1      ARG  19 -10.017 -11.866  -0.680
  131   2HH1  ARG  19          1HH1      ARG  19 -11.755 -11.884  -0.665
  132   1HH2  ARG  19          2HH2      ARG  19 -12.056  -8.624   0.604
  133   2HH2  ARG  19          1HH2      ARG  19 -12.925 -10.039   0.068
  134    H    SER  20           H        SER  20  -7.465  -6.959  -4.047
  135    HA   SER  20           HA       SER  20  -7.018  -4.208  -4.124
  136   1HB   SER  20          1HB       SER  20  -9.090  -4.401  -5.614
  137   2HB   SER  20          2HB       SER  20  -7.692  -5.353  -6.066
  138    HG   SER  20           HG       SER  20  -9.985  -6.330  -5.883
  139    H    ASP  21           H        ASP  21  -9.427  -6.207  -2.586
  140    HA   ASP  21           HA       ASP  21 -11.185  -4.095  -1.823
  141   1HB   ASP  21          1HB       ASP  21 -12.431  -5.975  -1.755
  142   2HB   ASP  21          2HB       ASP  21 -11.020  -7.005  -1.563
  143    H    HIS  22           H        HIS  22  -8.371  -5.590  -0.423
  144    HA   HIS  22           HA       HIS  22  -8.755  -4.506   2.214
  145   1HB   HIS  22          1HB       HIS  22  -6.569  -5.978   0.824
  146   2HB   HIS  22          2HB       HIS  22  -6.152  -5.029   2.243
  147    HD1  HIS  22           1HD      HIS  22  -5.678  -6.985   3.793
  148    HD2  HIS  22           2HD      HIS  22  -9.448  -7.152   2.037
  149    HE1  HIS  22           1HE      HIS  22  -6.913  -8.814   5.000
  150    HE2  HIS  22           2HE      HIS  22  -9.122  -9.010   3.804
  151    H    LEU  23           H        LEU  23  -6.928  -3.628  -0.677
  152    HA   LEU  23           HA       LEU  23  -5.636  -1.363   0.422
  153   1HB   LEU  23          1HB       LEU  23  -4.879  -2.327  -1.673
  154   2HB   LEU  23          2HB       LEU  23  -6.427  -1.983  -2.426
  155    HG   LEU  23           HG       LEU  23  -5.935   0.481  -1.973
  156   1HD1  LEU  23          1HD1      LEU  23  -3.298   0.724  -1.992
  157   2HD1  LEU  23          2HD1      LEU  23  -4.223   0.650  -0.492
  158   3HD1  LEU  23          3HD1      LEU  23  -3.409  -0.790  -1.099
  159   1HD2  LEU  23          1HD2      LEU  23  -5.470  -1.065  -4.131
  160   2HD2  LEU  23          2HD2      LEU  23  -5.169   0.672  -4.085
  161   3HD2  LEU  23          3HD2      LEU  23  -3.841  -0.459  -3.824
  162    H    ALA  24           H        ALA  24  -8.681  -1.821  -1.315
  163    HA   ALA  24           HA       ALA  24  -9.500   0.860  -1.404
  164   1HB   ALA  24          1HB       ALA  24 -11.332   0.026  -2.377
  165   2HB   ALA  24          2HB       ALA  24 -10.541  -1.544  -2.247
  166   3HB   ALA  24          3HB       ALA  24 -11.687  -1.027  -1.009
  167    H    LEU  25           H        LEU  25  -9.813  -1.613   1.089
  168    HA   LEU  25           HA       LEU  25 -11.506  -0.134   2.821
  169   1HB   LEU  25          1HB       LEU  25 -10.117  -2.659   2.837
  170   2HB   LEU  25          2HB       LEU  25  -9.923  -1.853   4.382
  171    HG   LEU  25           HG       LEU  25 -12.675  -1.928   3.303
  172   1HD1  LEU  25          1HD1      LEU  25 -12.948  -4.254   4.223
  173   2HD1  LEU  25          2HD1      LEU  25 -12.098  -4.133   2.682
  174   3HD1  LEU  25          3HD1      LEU  25 -11.191  -4.387   4.173
  175   1HD2  LEU  25          1HD2      LEU  25 -11.542  -1.213   5.660
  176   2HD2  LEU  25          2HD2      LEU  25 -13.229  -1.689   5.466
  177   3HD2  LEU  25          3HD2      LEU  25 -12.038  -2.871   6.005
  178    H    HIS  26           H        HIS  26  -8.049  -0.206   2.322
  179    HA   HIS  26           HA       HIS  26  -7.497   1.271   4.750
  180   1HB   HIS  26          1HB       HIS  26  -5.806  -0.282   4.176
  181   2HB   HIS  26          2HB       HIS  26  -5.771   0.249   2.498
  182    HD1  HIS  26           1HD      HIS  26  -4.790   1.496   5.958
  183    HD2  HIS  26           2HD      HIS  26  -3.945   2.168   1.940
  184    HE1  HIS  26           1HE      HIS  26  -2.959   3.238   5.888
  185    H    ARG  27           H        ARG  27  -7.941   1.950   1.350
  186    HA   ARG  27           HA       ARG  27  -6.923   4.652   1.701
  187   1HB   ARG  27          1HB       ARG  27  -8.039   3.354  -0.790
  188   2HB   ARG  27          2HB       ARG  27  -7.210   4.901  -0.707
  189   1HG   ARG  27          1HG       ARG  27  -5.436   3.140   0.473
  190   2HG   ARG  27          2HG       ARG  27  -6.130   2.216  -0.854
  191   1HD   ARG  27          1HD       ARG  27  -3.997   3.787  -1.154
  192   2HD   ARG  27          2HD       ARG  27  -5.180   3.520  -2.440
  193    HE   ARG  27           HE       ARG  27  -5.401   5.857  -0.656
  194   1HH1  ARG  27          2HH1      ARG  27  -5.152   4.497  -3.869
  195   2HH1  ARG  27          1HH1      ARG  27  -5.175   6.046  -4.664
  196   1HH2  ARG  27          2HH2      ARG  27  -5.469   7.908  -1.701
  197   2HH2  ARG  27          1HH2      ARG  27  -5.434   7.975  -3.442
  198    H    LYS  28           H        LYS  28  -9.597   3.417   2.726
  199    HA   LYS  28           HA       LYS  28 -11.690   4.979   1.622
  200   1HB   LYS  28          1HB       LYS  28 -11.357   3.745   4.362
  201   2HB   LYS  28          2HB       LYS  28 -12.837   4.514   3.805
  202   1HG   LYS  28          1HG       LYS  28 -12.756   2.837   1.880
  203   2HG   LYS  28          2HG       LYS  28 -11.568   1.979   2.865
  204   1HD   LYS  28          1HD       LYS  28 -13.135   1.701   4.643
  205   2HD   LYS  28          2HD       LYS  28 -14.296   2.773   3.860
  206   1HE   LYS  28          2HE       LYS  28 -14.387   1.137   1.967
  207   2HE   LYS  28          1HE       LYS  28 -13.420   0.041   2.956
  208   1HZ   LYS  28          1HZ       LYS  28 -16.219   0.673   3.116
  209   2HZ   LYS  28          2HZ       LYS  28 -15.430   0.763   4.617
  210   3HZ   LYS  28          3HZ       LYS  28 -15.375  -0.672   3.714
  211    H    ARG  29           H        ARG  29  -9.556   5.386   4.404
  212    HA   ARG  29           HA       ARG  29 -10.577   7.914   5.174
  213   1HB   ARG  29          1HB       ARG  29  -8.609   8.031   6.613
  214   2HB   ARG  29          2HB       ARG  29  -9.358   6.449   6.718
  215   1HG   ARG  29          1HG       ARG  29  -7.594   5.392   5.773
  216   2HG   ARG  29          2HG       ARG  29  -7.184   6.762   4.741
  217   1HD   ARG  29          1HD       ARG  29  -6.642   6.509   7.695
  218   2HD   ARG  29          2HD       ARG  29  -5.454   6.413   6.397
  219    HE   ARG  29           HE       ARG  29  -6.872   8.873   6.301
  220   1HH1  ARG  29          2HH1      ARG  29  -4.317   7.228   8.036
  221   2HH1  ARG  29          1HH1      ARG  29  -3.506   8.700   8.479
  222   1HH2  ARG  29          2HH2      ARG  29  -5.842  10.782   6.889
  223   2HH2  ARG  29          1HH2      ARG  29  -4.393  10.729   7.851
  224    H    HIS  30           H        HIS  30  -8.443   6.865   2.733
  225    HA   HIS  30           HA       HIS  30  -7.144   9.428   2.349
  226   1HB   HIS  30          1HB       HIS  30  -7.108   6.917   0.665
  227   2HB   HIS  30          2HB       HIS  30  -6.106   8.334   0.394
  228    HD1  HIS  30           1HD      HIS  30  -5.410   8.664   3.548
  229    HD2  HIS  30           2HD      HIS  30  -4.945   5.286   1.164
  230    HE1  HIS  30           1HE      HIS  30  -3.665   7.223   4.676
  231    H    MET  31           H        MET  31 -10.038   7.953   1.528
  232    HA   MET  31           HA       MET  31 -10.439   9.497  -0.916
  233   1HB   MET  31          1HB       MET  31 -12.016   7.344   0.482
  234   2HB   MET  31          2HB       MET  31 -12.724   8.308  -0.805
  235   1HG   MET  31          1HG       MET  31 -10.924   7.576  -2.310
  236   2HG   MET  31          2HG       MET  31 -10.289   6.559  -1.021
  237   1HE   MET  31          1HE       MET  31 -10.523   4.143  -2.364
  238   2HE   MET  31          2HE       MET  31 -10.816   4.336  -0.635
  239   3HE   MET  31          3HE       MET  31 -11.903   3.346  -1.606
  240    H    LEU  32           H        LEU  32 -10.557  10.108   2.243
  241    HA   LEU  32           HA       LEU  32 -13.098  11.413   2.491
  242   1HB   LEU  32          1HB       LEU  32 -10.779  10.872   4.194
  243   2HB   LEU  32          2HB       LEU  32 -11.520  12.432   4.499
  244    HG   LEU  32           HG       LEU  32 -13.369  10.126   4.339
  245   1HD1  LEU  32          1HD1      LEU  32 -12.862   9.239   6.458
  246   2HD1  LEU  32          2HD1      LEU  32 -11.324   9.318   5.597
  247   3HD1  LEU  32          3HD1      LEU  32 -11.716  10.531   6.816
  248   1HD2  LEU  32          1HD2      LEU  32 -13.568  12.745   5.067
  249   2HD2  LEU  32          2HD2      LEU  32 -14.696  11.474   5.539
  250   3HD2  LEU  32          3HD2      LEU  32 -13.394  11.948   6.630
  251    H    VAL  33           H        VAL  33 -12.665  12.629   0.417
  252    HA   VAL  33           HA       VAL  33 -10.898  14.922   0.676
  253    HB   VAL  33           HB       VAL  33 -12.804  14.350  -1.598
  254   1HG1  VAL  33          1HG1      VAL  33 -11.524  15.841  -2.859
  255   2HG1  VAL  33          2HG1      VAL  33 -11.631  16.614  -1.278
  256   3HG1  VAL  33          3HG1      VAL  33 -10.161  15.760  -1.743
  257   1HG2  VAL  33          1HG2      VAL  33  -9.917  13.543  -1.589
  258   2HG2  VAL  33          2HG2      VAL  33 -11.176  12.451  -1.011
  259   3HG2  VAL  33          3HG2      VAL  33 -11.207  13.032  -2.677
  Start of MODEL   18
    1   1H    GLY   1          1H        GLY   1   8.795 -17.838  -0.267
    2   2H    GLY   1          2H        GLY   1  10.450 -17.605  -0.564
    3   3H    GLY   1          3H        GLY   1   9.300 -17.056  -1.685
    4   1HA   GLY   1          2HA       GLY   1   9.400 -16.052   1.091
    5   2HA   GLY   1          1HA       GLY   1  10.329 -15.315  -0.208
    6    H    SER   2           H        SER   2   8.280 -14.042   1.309
    7    HA   SER   2           HA       SER   2   6.014 -13.893  -0.525
    8   1HB   SER   2          1HB       SER   2   5.935 -12.039   1.711
    9   2HB   SER   2          2HB       SER   2   4.810 -13.330   1.288
   10    HG   SER   2           HG       SER   2   7.219 -13.543   2.782
   11    H    THR   3           H        THR   3   5.295 -11.839  -1.349
   12    HA   THR   3           HA       THR   3   7.492 -10.244  -2.287
   13    HB   THR   3           HB       THR   3   4.871  -9.150  -2.866
   14    HG1  THR   3           1HG      THR   3   5.059 -11.624  -4.087
   15   1HG2  THR   3          1HG2      THR   3   7.314 -10.005  -4.271
   16   2HG2  THR   3          2HG2      THR   3   6.302  -8.582  -4.520
   17   3HG2  THR   3          3HG2      THR   3   5.825 -10.136  -5.207
   18    H    GLY   4           H        GLY   4   8.042  -8.191  -1.678
   19   1HA   GLY   4          1HA       GLY   4   6.985  -7.229   0.830
   20   2HA   GLY   4          2HA       GLY   4   8.256  -6.477  -0.122
   21    H    ILE   5           H        ILE   5   7.085  -6.024  -2.491
   22    HA   ILE   5           HA       ILE   5   5.035  -4.028  -1.862
   23    HB   ILE   5           HB       ILE   5   6.506  -4.533  -4.459
   24   1HG1  ILE   5          2HG1      ILE   5   8.061  -3.737  -2.796
   25   2HG1  ILE   5          1HG1      ILE   5   7.694  -2.407  -3.896
   26   1HG2  ILE   5          1HG2      ILE   5   4.328  -3.509  -4.821
   27   2HG2  ILE   5          2HG2      ILE   5   4.712  -2.246  -3.650
   28   3HG2  ILE   5          3HG2      ILE   5   5.623  -2.360  -5.157
   29   1HD1  ILE   5          1HD1      ILE   5   7.674  -1.443  -1.781
   30   2HD1  ILE   5          2HD1      ILE   5   5.968  -1.695  -2.152
   31   3HD1  ILE   5          3HD1      ILE   5   6.809  -2.802  -1.066
   32    H    LYS   6           H        LYS   6   2.966  -4.178  -2.661
   33    HA   LYS   6           HA       LYS   6   2.297  -6.713  -4.009
   34   1HB   LYS   6          1HB       LYS   6   1.060  -5.292  -1.719
   35   2HB   LYS   6          2HB       LYS   6  -0.020  -6.093  -2.854
   36   1HG   LYS   6          1HG       LYS   6   0.468  -8.104  -2.044
   37   2HG   LYS   6          2HG       LYS   6   2.203  -7.792  -2.116
   38   1HD   LYS   6          1HD       LYS   6   1.091  -6.245   0.003
   39   2HD   LYS   6          2HD       LYS   6   0.527  -7.914   0.167
   40   1HE   LYS   6          2HE       LYS   6   3.402  -7.441  -0.427
   41   2HE   LYS   6          1HE       LYS   6   2.823  -7.112   1.204
   42   1HZ   LYS   6          1HZ       LYS   6   2.656  -9.693  -0.262
   43   2HZ   LYS   6          2HZ       LYS   6   1.915  -9.404   1.238
   44   3HZ   LYS   6          3HZ       LYS   6   3.604  -9.353   1.104
   45    HA   PRO   7           HA       PRO   7   0.552  -4.713  -7.410
   46   1HB   PRO   7          1HB       PRO   7  -1.936  -5.915  -7.622
   47   2HB   PRO   7          2HB       PRO   7  -0.420  -6.595  -8.217
   48   1HG   PRO   7          1HG       PRO   7  -1.896  -7.169  -5.691
   49   2HG   PRO   7          2HG       PRO   7  -1.003  -8.277  -6.748
   50   1HD   PRO   7          1HD       PRO   7   0.013  -7.411  -4.427
   51   2HD   PRO   7          2HD       PRO   7   1.039  -7.684  -5.849
   52    H    PHE   8           H        PHE   8  -1.261  -4.638  -4.476
   53    HA   PHE   8           HA       PHE   8  -2.655  -2.227  -5.419
   54   1HB   PHE   8          1HB       PHE   8  -3.491  -4.017  -3.128
   55   2HB   PHE   8          2HB       PHE   8  -4.399  -2.669  -3.805
   56    HD1  PHE   8           1HD      PHE   8  -5.498  -2.876  -5.977
   57    HD2  PHE   8           2HD      PHE   8  -3.450  -6.159  -4.196
   58    HE1  PHE   8           1HE      PHE   8  -6.629  -4.416  -7.525
   59    HE2  PHE   8           2HE      PHE   8  -4.596  -7.703  -5.732
   60    HZ   PHE   8           HZ       PHE   8  -6.172  -6.830  -7.407
   61    H    GLN   9           H        GLN   9  -1.186  -0.707  -4.861
   62    HA   GLN   9           HA       GLN   9  -0.166  -0.759  -2.105
   63   1HB   GLN   9          1HB       GLN   9   1.068  -0.333  -4.689
   64   2HB   GLN   9          2HB       GLN   9   1.386   1.013  -3.601
   65   1HG   GLN   9          1HG       GLN   9   1.773  -1.333  -2.107
   66   2HG   GLN   9          2HG       GLN   9   2.565  -1.577  -3.660
   67   1HE2  GLN   9          1HE2      GLN   9   2.249   0.733  -1.044
   68   2HE2  GLN   9          2HE2      GLN   9   3.870   1.351  -1.141
   69    H    CYS  10           H        CYS  10  -0.199   1.044  -0.859
   70    HA   CYS  10           HA       CYS  10  -1.984   3.193  -1.682
   71   1HB   CYS  10          1HB       CYS  10  -2.384   2.566   0.575
   72   2HB   CYS  10          2HB       CYS  10  -0.665   2.476   0.935
   73    HA   PRO  11           HA       PRO  11   1.653   5.565  -2.786
   74   1HB   PRO  11          1HB       PRO  11   0.409   7.645  -3.883
   75   2HB   PRO  11          2HB       PRO  11   0.407   6.066  -4.675
   76   1HG   PRO  11          1HG       PRO  11  -1.746   7.383  -3.075
   77   2HG   PRO  11          2HG       PRO  11  -1.873   6.420  -4.557
   78   1HD   PRO  11          1HD       PRO  11  -2.335   5.458  -2.000
   79   2HD   PRO  11          2HD       PRO  11  -1.940   4.456  -3.408
   80    H    ASP  12           H        ASP  12  -0.635   6.192  -0.399
   81    HA   ASP  12           HA       ASP  12   0.412   8.833   0.275
   82   1HB   ASP  12          1HB       ASP  12  -2.076   8.193   0.352
   83   2HB   ASP  12          2HB       ASP  12  -1.680   7.329   1.834
   84    H    CYS  13           H        CYS  13   0.044   5.657   1.852
   85    HA   CYS  13           HA       CYS  13   2.051   6.507   3.839
   86   1HB   CYS  13          1HB       CYS  13   0.470   3.988   4.128
   87   2HB   CYS  13          2HB       CYS  13   1.127   5.044   5.371
   88    H    ASP  14           H        ASP  14   1.696   4.635   1.085
   89    HA   ASP  14           HA       ASP  14   3.087   3.216  -0.022
   90   1HB   ASP  14          1HB       ASP  14   4.873   4.556   1.553
   91   2HB   ASP  14          2HB       ASP  14   5.122   2.894   2.079
   92    H    TRP  15           H        TRP  15   0.994   2.405   1.750
   93    HA   TRP  15           HA       TRP  15   1.818  -0.040   3.043
   94   1HB   TRP  15          1HB       TRP  15  -0.725   1.447   2.638
   95   2HB   TRP  15          2HB       TRP  15  -0.857  -0.295   2.833
   96    HD1  TRP  15           HD       TRP  15  -0.084   2.878   4.741
   97    HE1  TRP  15           1HE      TRP  15   0.042   2.346   7.253
   98    HE3  TRP  15           3HE      TRP  15  -0.230  -2.221   4.490
   99    HZ2  TRP  15           2HZ      TRP  15   0.077   0.062   8.911
  100    HZ3  TRP  15           3HZ      TRP  15  -0.146  -3.507   6.585
  101    HH2  TRP  15           HH       TRP  15   0.005  -2.386   8.749
  102    H    SER  16           H        SER  16   1.149  -2.167   2.308
  103    HA   SER  16           HA       SER  16   0.532  -2.269  -0.567
  104   1HB   SER  16          1HB       SER  16   2.363  -4.316   0.618
  105   2HB   SER  16          2HB       SER  16   2.275  -3.719  -1.039
  106    HG   SER  16           HG       SER  16   2.916  -1.695   0.578
  107    H    PHE  17           H        PHE  17  -1.051  -3.605  -1.111
  108    HA   PHE  17           HA       PHE  17  -1.875  -5.684   0.807
  109   1HB   PHE  17          1HB       PHE  17  -3.746  -3.883  -0.756
  110   2HB   PHE  17          2HB       PHE  17  -4.218  -5.157   0.364
  111    HD1  PHE  17           1HD      PHE  17  -2.736  -1.812   0.072
  112    HD2  PHE  17           2HD      PHE  17  -4.175  -4.815   2.718
  113    HE1  PHE  17           1HE      PHE  17  -2.694  -0.190   1.919
  114    HE2  PHE  17           2HE      PHE  17  -4.133  -3.203   4.578
  115    HZ   PHE  17           HZ       PHE  17  -3.390  -0.890   4.181
  116    H    SER  18           H        SER  18  -2.499  -7.596  -0.077
  117    HA   SER  18           HA       SER  18  -1.861  -7.994  -2.880
  118   1HB   SER  18          1HB       SER  18  -2.861 -10.366  -1.610
  119   2HB   SER  18          2HB       SER  18  -1.205  -9.995  -2.093
  120    HG   SER  18           HG       SER  18  -1.655 -10.427   0.244
  121    H    ARG  19           H        ARG  19  -4.538  -7.218  -1.055
  122    HA   ARG  19           HA       ARG  19  -6.375  -8.155  -3.167
  123   1HB   ARG  19          1HB       ARG  19  -6.732  -8.063  -0.188
  124   2HB   ARG  19          2HB       ARG  19  -8.125  -7.911  -1.249
  125   1HG   ARG  19          1HG       ARG  19  -6.242 -10.167  -1.660
  126   2HG   ARG  19          2HG       ARG  19  -7.395 -10.233  -0.330
  127   1HD   ARG  19          1HD       ARG  19  -8.026  -9.881  -3.252
  128   2HD   ARG  19          2HD       ARG  19  -8.328 -11.316  -2.275
  129    HE   ARG  19           HE       ARG  19  -9.753  -9.529  -0.926
  130   1HH1  ARG  19          2HH1      ARG  19  -9.455  -9.938  -4.402
  131   2HH1  ARG  19          1HH1      ARG  19 -11.110  -9.504  -4.720
  132   1HH2  ARG  19          2HH2      ARG  19 -11.932  -8.964  -1.343
  133   2HH2  ARG  19          1HH2      ARG  19 -12.509  -8.913  -2.988
  134    H    SER  20           H        SER  20  -7.560  -6.849  -4.082
  135    HA   SER  20           HA       SER  20  -7.175  -4.106  -4.091
  136   1HB   SER  20          1HB       SER  20  -9.392  -4.311  -5.394
  137   2HB   SER  20          2HB       SER  20  -7.988  -5.157  -6.010
  138    HG   SER  20           HG       SER  20  -9.905  -6.469  -5.938
  139    H    ASP  21           H        ASP  21  -9.695  -6.105  -2.653
  140    HA   ASP  21           HA       ASP  21 -11.307  -4.028  -1.660
  141   1HB   ASP  21          1HB       ASP  21 -12.394  -6.074  -1.776
  142   2HB   ASP  21          2HB       ASP  21 -11.020  -6.956  -1.125
  143    H    HIS  22           H        HIS  22  -8.481  -5.639  -0.350
  144    HA   HIS  22           HA       HIS  22  -8.786  -4.567   2.292
  145   1HB   HIS  22          1HB       HIS  22  -6.667  -6.083   0.856
  146   2HB   HIS  22          2HB       HIS  22  -6.190  -5.159   2.274
  147    HD1  HIS  22           1HD      HIS  22  -5.852  -6.999   3.956
  148    HD2  HIS  22           2HD      HIS  22  -9.500  -7.276   1.976
  149    HE1  HIS  22           1HE      HIS  22  -7.154  -8.778   5.171
  150    HE2  HIS  22           2HE      HIS  22  -9.423  -8.787   4.072
  151    H    LEU  23           H        LEU  23  -6.955  -3.679  -0.598
  152    HA   LEU  23           HA       LEU  23  -5.617  -1.463   0.525
  153   1HB   LEU  23          1HB       LEU  23  -4.887  -2.376  -1.578
  154   2HB   LEU  23          2HB       LEU  23  -6.450  -2.066  -2.312
  155    HG   LEU  23           HG       LEU  23  -5.959   0.421  -1.823
  156   1HD1  LEU  23          1HD1      LEU  23  -4.130   0.312  -0.374
  157   2HD1  LEU  23          2HD1      LEU  23  -3.273  -0.837  -1.401
  158   3HD1  LEU  23          3HD1      LEU  23  -3.453   0.842  -1.915
  159   1HD2  LEU  23          1HD2      LEU  23  -4.910   0.686  -3.933
  160   2HD2  LEU  23          2HD2      LEU  23  -4.209  -0.930  -3.861
  161   3HD2  LEU  23          3HD2      LEU  23  -5.950  -0.733  -4.054
  162    H    ALA  24           H        ALA  24  -8.717  -1.824  -1.141
  163    HA   ALA  24           HA       ALA  24  -9.419   0.898  -1.152
  164   1HB   ALA  24          1HB       ALA  24 -11.522  -1.200  -0.902
  165   2HB   ALA  24          2HB       ALA  24 -11.462   0.218  -1.948
  166   3HB   ALA  24          3HB       ALA  24 -10.484  -1.203  -2.327
  167    H    LEU  25           H        LEU  25  -9.765  -1.629   1.263
  168    HA   LEU  25           HA       LEU  25 -11.450  -0.166   3.029
  169   1HB   LEU  25          1HB       LEU  25 -11.576  -2.211   3.901
  170   2HB   LEU  25          2HB       LEU  25 -10.210  -2.748   2.946
  171    HG   LEU  25           HG       LEU  25  -8.973  -1.400   4.991
  172   1HD1  LEU  25          1HD1      LEU  25  -9.984  -1.976   7.054
  173   2HD1  LEU  25          2HD1      LEU  25 -11.228  -1.190   6.084
  174   3HD1  LEU  25          3HD1      LEU  25 -11.222  -2.944   6.255
  175   1HD2  LEU  25          1HD2      LEU  25  -7.997  -3.392   5.323
  176   2HD2  LEU  25          2HD2      LEU  25  -9.535  -4.225   5.543
  177   3HD2  LEU  25          3HD2      LEU  25  -8.938  -3.891   3.917
  178    H    HIS  26           H        HIS  26  -8.079  -0.106   2.337
  179    HA   HIS  26           HA       HIS  26  -7.445   1.330   4.792
  180   1HB   HIS  26          1HB       HIS  26  -5.766  -0.232   4.179
  181   2HB   HIS  26          2HB       HIS  26  -5.782   0.290   2.499
  182    HD1  HIS  26           1HD      HIS  26  -4.604   1.480   5.910
  183    HD2  HIS  26           2HD      HIS  26  -4.054   2.280   1.873
  184    HE1  HIS  26           1HE      HIS  26  -2.805   3.257   5.764
  185    H    ARG  27           H        ARG  27  -7.789   1.876   1.342
  186    HA   ARG  27           HA       ARG  27  -6.815   4.586   1.589
  187   1HB   ARG  27          1HB       ARG  27  -7.863   3.104  -0.826
  188   2HB   ARG  27          2HB       ARG  27  -7.101   4.687  -0.855
  189   1HG   ARG  27          1HG       ARG  27  -5.278   3.097   0.478
  190   2HG   ARG  27          2HG       ARG  27  -5.910   2.051  -0.786
  191   1HD   ARG  27          1HD       ARG  27  -3.846   3.610  -1.236
  192   2HD   ARG  27          2HD       ARG  27  -5.078   3.343  -2.478
  193    HE   ARG  27           HE       ARG  27  -5.322   5.682  -0.731
  194   1HH1  ARG  27          2HH1      ARG  27  -4.731   4.325  -3.898
  195   2HH1  ARG  27          1HH1      ARG  27  -4.691   5.873  -4.698
  196   1HH2  ARG  27          2HH2      ARG  27  -5.257   7.733  -1.765
  197   2HH2  ARG  27          1HH2      ARG  27  -5.005   7.807  -3.485
  198    H    LYS  28           H        LYS  28  -9.734   3.270   2.281
  199    HA   LYS  28           HA       LYS  28 -11.446   5.144   0.989
  200   1HB   LYS  28          1HB       LYS  28 -13.190   4.370   2.540
  201   2HB   LYS  28          2HB       LYS  28 -12.369   3.039   1.745
  202   1HG   LYS  28          1HG       LYS  28 -11.041   2.660   3.771
  203   2HG   LYS  28          2HG       LYS  28 -11.903   3.979   4.566
  204   1HD   LYS  28          1HD       LYS  28 -13.993   2.795   4.379
  205   2HD   LYS  28          2HD       LYS  28 -13.229   1.524   3.425
  206   1HE   LYS  28          2HE       LYS  28 -13.344   0.587   5.543
  207   2HE   LYS  28          1HE       LYS  28 -11.698   1.219   5.482
  208   1HZ   LYS  28          1HZ       LYS  28 -13.186   1.683   7.534
  209   2HZ   LYS  28          2HZ       LYS  28 -13.852   2.904   6.565
  210   3HZ   LYS  28          3HZ       LYS  28 -12.196   2.915   6.921
  211    H    ARG  29           H        ARG  29  -9.620   5.126   3.963
  212    HA   ARG  29           HA       ARG  29 -10.814   7.462   5.077
  213   1HB   ARG  29          1HB       ARG  29  -8.911   7.480   6.587
  214   2HB   ARG  29          2HB       ARG  29  -9.532   5.845   6.439
  215   1HG   ARG  29          1HG       ARG  29  -7.735   5.306   4.873
  216   2HG   ARG  29          2HG       ARG  29  -7.107   6.946   5.031
  217   1HD   ARG  29          1HD       ARG  29  -5.793   5.622   6.461
  218   2HD   ARG  29          2HD       ARG  29  -6.919   6.480   7.512
  219    HE   ARG  29           HE       ARG  29  -7.658   3.788   6.652
  220   1HH1  ARG  29          2HH1      ARG  29  -6.472   5.905   9.164
  221   2HH1  ARG  29          1HH1      ARG  29  -6.754   4.771  10.450
  222   1HH2  ARG  29          2HH2      ARG  29  -8.061   2.292   8.324
  223   2HH2  ARG  29          1HH2      ARG  29  -7.701   2.720   9.972
  224    H    HIS  30           H        HIS  30  -8.472   6.806   2.657
  225    HA   HIS  30           HA       HIS  30  -7.282   9.428   2.635
  226   1HB   HIS  30          1HB       HIS  30  -7.141   7.180   0.619
  227   2HB   HIS  30          2HB       HIS  30  -6.156   8.638   0.585
  228    HD1  HIS  30           1HD      HIS  30  -5.722   8.479   3.832
  229    HD2  HIS  30           2HD      HIS  30  -4.880   5.589   0.965
  230    HE1  HIS  30           1HE      HIS  30  -3.968   6.965   4.836
  231    H    MET  31           H        MET  31 -10.113   8.054   1.526
  232    HA   MET  31           HA       MET  31 -10.535  10.004  -0.607
  233   1HB   MET  31          1HB       MET  31 -12.188   7.713   0.458
  234   2HB   MET  31          2HB       MET  31 -12.795   8.855  -0.730
  235   1HG   MET  31          1HG       MET  31 -11.080   8.200  -2.294
  236   2HG   MET  31          2HG       MET  31 -10.361   7.128  -1.096
  237   1HE   MET  31          1HE       MET  31 -10.896   5.827  -3.861
  238   2HE   MET  31          2HE       MET  31 -12.570   5.436  -4.259
  239   3HE   MET  31          3HE       MET  31 -12.049   7.119  -4.196
  240    H    LEU  32           H        LEU  32 -10.546   9.970   2.607
  241    HA   LEU  32           HA       LEU  32 -11.401  11.229   4.274
  242   1HB   LEU  32          1HB       LEU  32 -12.409  12.992   2.045
  243   2HB   LEU  32          2HB       LEU  32 -12.253  13.448   3.730
  244    HG   LEU  32           HG       LEU  32  -9.842  12.552   2.193
  245   1HD1  LEU  32          1HD1      LEU  32 -10.845  14.265   0.804
  246   2HD1  LEU  32          2HD1      LEU  32 -11.006  15.332   2.201
  247   3HD1  LEU  32          3HD1      LEU  32  -9.403  14.894   1.605
  248   1HD2  LEU  32          1HD2      LEU  32  -8.765  14.167   3.783
  249   2HD2  LEU  32          2HD2      LEU  32 -10.331  14.325   4.578
  250   3HD2  LEU  32          3HD2      LEU  32  -9.514  12.763   4.542
  251    H    VAL  33           H        VAL  33 -12.919   9.052   3.549
  252    HA   VAL  33           HA       VAL  33 -15.692   9.990   3.631
  253    HB   VAL  33           HB       VAL  33 -14.751   8.095   2.043
  254   1HG1  VAL  33          1HG1      VAL  33 -13.841   6.581   3.613
  255   2HG1  VAL  33          2HG1      VAL  33 -15.297   6.626   4.609
  256   3HG1  VAL  33          3HG1      VAL  33 -15.335   5.848   3.027
  257   1HG2  VAL  33          1HG2      VAL  33 -16.956   8.613   1.731
  258   2HG2  VAL  33          2HG2      VAL  33 -17.101   6.969   2.354
  259   3HG2  VAL  33          3HG2      VAL  33 -17.372   8.344   3.425
  Start of MODEL   19
    1   1H    GLY   1          1H        GLY   1  10.494 -15.514   0.406
    2   2H    GLY   1          2H        GLY   1  11.585 -14.733   1.440
    3   3H    GLY   1          3H        GLY   1  12.156 -15.550   0.066
    4   1HA   GLY   1          2HA       GLY   1  12.223 -13.350  -0.594
    5   2HA   GLY   1          1HA       GLY   1  10.711 -13.947  -1.264
    6    H    SER   2           H        SER   2  12.030 -11.405   0.239
    7    HA   SER   2           HA       SER   2   9.754 -10.818   1.971
    8   1HB   SER   2          1HB       SER   2  11.512  -8.679   2.132
    9   2HB   SER   2          2HB       SER   2  11.450 -10.052   3.239
   10    HG   SER   2           HG       SER   2  13.239  -9.500   1.162
   11    H    THR   3           H        THR   3   8.484 -10.695  -0.120
   12    HA   THR   3           HA       THR   3   8.926  -8.423  -1.810
   13    HB   THR   3           HB       THR   3   6.264  -9.445  -2.079
   14    HG1  THR   3           1HG      THR   3   6.627 -11.417  -1.347
   15   1HG2  THR   3          1HG2      THR   3   8.577 -10.139  -3.860
   16   2HG2  THR   3          2HG2      THR   3   7.955  -8.490  -3.785
   17   3HG2  THR   3          3HG2      THR   3   6.900  -9.808  -4.295
   18    H    GLY   4           H        GLY   4   8.430  -6.410  -1.271
   19   1HA   GLY   4          1HA       GLY   4   6.394  -5.935   0.784
   20   2HA   GLY   4          2HA       GLY   4   7.595  -4.779   0.221
   21    H    ILE   5           H        ILE   5   7.170  -5.125  -2.539
   22    HA   ILE   5           HA       ILE   5   4.934  -3.369  -2.857
   23    HB   ILE   5           HB       ILE   5   6.525  -4.668  -5.066
   24   1HG1  ILE   5          2HG1      ILE   5   8.049  -3.558  -3.488
   25   2HG1  ILE   5          1HG1      ILE   5   7.973  -2.686  -5.018
   26   1HG2  ILE   5          1HG2      ILE   5   5.884  -2.233  -5.981
   27   2HG2  ILE   5          2HG2      ILE   5   4.865  -3.654  -6.211
   28   3HG2  ILE   5          3HG2      ILE   5   4.510  -2.515  -4.912
   29   1HD1  ILE   5          1HD1      ILE   5   6.068  -1.736  -3.018
   30   2HD1  ILE   5          2HD1      ILE   5   7.758  -1.570  -2.544
   31   3HD1  ILE   5          3HD1      ILE   5   7.187  -0.837  -4.044
   32    H    LYS   6           H        LYS   6   2.920  -4.086  -2.843
   33    HA   LYS   6           HA       LYS   6   2.286  -6.655  -4.141
   34   1HB   LYS   6          1HB       LYS   6   1.090  -5.136  -1.887
   35   2HB   LYS   6          2HB       LYS   6  -0.008  -6.017  -2.944
   36   1HG   LYS   6          1HG       LYS   6   0.573  -7.989  -2.098
   37   2HG   LYS   6          2HG       LYS   6   2.294  -7.601  -2.136
   38   1HD   LYS   6          1HD       LYS   6   0.810  -6.114  -0.108
   39   2HD   LYS   6          2HD       LYS   6   0.756  -7.864   0.123
   40   1HE   LYS   6          2HE       LYS   6   3.357  -6.523  -0.467
   41   2HE   LYS   6          1HE       LYS   6   2.689  -6.459   1.164
   42   1HZ   LYS   6          1HZ       LYS   6   3.769  -8.389   1.398
   43   2HZ   LYS   6          2HZ       LYS   6   3.860  -8.680  -0.273
   44   3HZ   LYS   6          3HZ       LYS   6   2.445  -9.061   0.577
   45    HA   PRO   7           HA       PRO   7   0.307  -4.924  -7.584
   46   1HB   PRO   7          1HB       PRO   7  -2.265  -6.023  -7.377
   47   2HB   PRO   7          2HB       PRO   7  -0.880  -6.759  -8.185
   48   1HG   PRO   7          1HG       PRO   7  -1.984  -7.270  -5.471
   49   2HG   PRO   7          2HG       PRO   7  -1.194  -8.388  -6.594
   50   1HD   PRO   7          1HD       PRO   7   0.058  -7.437  -4.426
   51   2HD   PRO   7          2HD       PRO   7   0.922  -7.753  -5.938
   52    H    PHE   8           H        PHE   8  -1.405  -4.737  -4.564
   53    HA   PHE   8           HA       PHE   8  -2.584  -2.182  -5.411
   54   1HB   PHE   8          1HB       PHE   8  -3.597  -3.900  -3.144
   55   2HB   PHE   8          2HB       PHE   8  -4.408  -2.547  -3.927
   56    HD1  PHE   8           1HD      PHE   8  -5.522  -2.813  -6.035
   57    HD2  PHE   8           2HD      PHE   8  -3.494  -6.078  -4.205
   58    HE1  PHE   8           1HE      PHE   8  -6.648  -4.366  -7.571
   59    HE2  PHE   8           2HE      PHE   8  -4.625  -7.637  -5.736
   60    HZ   PHE   8           HZ       PHE   8  -6.192  -6.780  -7.431
   61    H    GLN   9           H        GLN   9  -1.432  -0.578  -4.617
   62    HA   GLN   9           HA       GLN   9  -0.328  -0.819  -1.915
   63   1HB   GLN   9          1HB       GLN   9   1.578  -1.309  -3.072
   64   2HB   GLN   9          2HB       GLN   9   1.080  -0.406  -4.495
   65   1HG   GLN   9          1HG       GLN   9   2.418   1.213  -3.868
   66   2HG   GLN   9          2HG       GLN   9   1.398   1.476  -2.461
   67   1HE2  GLN   9          1HE2      GLN   9   1.890   0.170  -0.552
   68   2HE2  GLN   9          2HE2      GLN   9   3.545  -0.208  -0.221
   69    H    CYS  10           H        CYS  10  -0.388   0.962  -0.719
   70    HA   CYS  10           HA       CYS  10  -1.850   3.247  -1.747
   71   1HB   CYS  10          1HB       CYS  10  -2.457   2.706   0.493
   72   2HB   CYS  10          2HB       CYS  10  -0.776   2.535   0.990
   73    HA   PRO  11           HA       PRO  11   2.003   5.346  -2.658
   74   1HB   PRO  11          1HB       PRO  11   0.968   7.463  -3.894
   75   2HB   PRO  11          2HB       PRO  11   0.910   5.863  -4.641
   76   1HG   PRO  11          1HG       PRO  11  -1.240   7.362  -3.198
   77   2HG   PRO  11          2HG       PRO  11  -1.355   6.384  -4.672
   78   1HD   PRO  11          1HD       PRO  11  -2.032   5.506  -2.130
   79   2HD   PRO  11          2HD       PRO  11  -1.617   4.446  -3.491
   80    H    ASP  12           H        ASP  12  -0.415   6.151  -0.480
   81    HA   ASP  12           HA       ASP  12   0.678   8.753   0.239
   82   1HB   ASP  12          1HB       ASP  12  -1.817   8.144   0.139
   83   2HB   ASP  12          2HB       ASP  12  -1.545   7.309   1.665
   84    H    CYS  13           H        CYS  13   0.188   5.581   1.786
   85    HA   CYS  13           HA       CYS  13   2.128   6.398   3.858
   86   1HB   CYS  13          1HB       CYS  13   0.327   4.043   4.206
   87   2HB   CYS  13          2HB       CYS  13   1.018   5.109   5.423
   88    H    ASP  14           H        ASP  14   1.861   4.553   1.133
   89    HA   ASP  14           HA       ASP  14   3.112   2.920   0.175
   90   1HB   ASP  14          1HB       ASP  14   4.979   4.191   1.574
   91   2HB   ASP  14          2HB       ASP  14   4.968   2.693   2.499
   92    H    TRP  15           H        TRP  15   0.879   2.369   1.825
   93    HA   TRP  15           HA       TRP  15   1.433  -0.064   3.295
   94   1HB   TRP  15          1HB       TRP  15  -0.907   1.668   2.801
   95   2HB   TRP  15          2HB       TRP  15  -1.268  -0.046   2.945
   96    HD1  TRP  15           HD       TRP  15  -0.382   2.984   4.980
   97    HE1  TRP  15           1HE      TRP  15  -0.358   2.366   7.483
   98    HE3  TRP  15           3HE      TRP  15  -0.665  -2.099   4.554
   99    HZ2  TRP  15           2HZ      TRP  15  -0.433   0.025   9.059
  100    HZ3  TRP  15           3HZ      TRP  15  -0.678  -3.456   6.604
  101    HH2  TRP  15           HH       TRP  15  -0.563  -2.414   8.810
  102    H    SER  16           H        SER  16   1.235  -2.103   2.500
  103    HA   SER  16           HA       SER  16   0.509  -2.305  -0.348
  104   1HB   SER  16          1HB       SER  16   2.200  -4.456   0.598
  105   2HB   SER  16          2HB       SER  16   2.474  -3.317  -0.721
  106    HG   SER  16           HG       SER  16   4.046  -2.841   0.695
  107    H    PHE  17           H        PHE  17  -1.033  -3.639  -0.943
  108    HA   PHE  17           HA       PHE  17  -1.921  -5.739   0.922
  109   1HB   PHE  17          1HB       PHE  17  -3.760  -3.978  -0.710
  110   2HB   PHE  17          2HB       PHE  17  -4.228  -5.182   0.486
  111    HD1  PHE  17           1HD      PHE  17  -2.841  -1.824  -0.023
  112    HD2  PHE  17           2HD      PHE  17  -4.112  -4.719   2.830
  113    HE1  PHE  17           1HE      PHE  17  -2.847  -0.091   1.725
  114    HE2  PHE  17           2HE      PHE  17  -4.120  -2.997   4.582
  115    HZ   PHE  17           HZ       PHE  17  -3.488  -0.684   4.032
  116    H    SER  18           H        SER  18  -2.450  -7.660   0.003
  117    HA   SER  18           HA       SER  18  -1.819  -7.986  -2.812
  118   1HB   SER  18          1HB       SER  18  -2.853 -10.300  -1.294
  119   2HB   SER  18          2HB       SER  18  -1.399 -10.159  -2.283
  120    HG   SER  18           HG       SER  18  -0.290  -9.799  -0.538
  121    H    ARG  19           H        ARG  19  -4.511  -7.224  -1.035
  122    HA   ARG  19           HA       ARG  19  -6.325  -8.177  -3.160
  123   1HB   ARG  19          1HB       ARG  19  -6.541  -8.400  -0.226
  124   2HB   ARG  19          2HB       ARG  19  -7.970  -7.752  -1.013
  125   1HG   ARG  19          1HG       ARG  19  -8.115  -9.718  -2.427
  126   2HG   ARG  19          2HG       ARG  19  -6.641 -10.363  -1.699
  127   1HD   ARG  19          1HD       ARG  19  -8.436 -11.445  -0.609
  128   2HD   ARG  19          2HD       ARG  19  -7.829 -10.237   0.523
  129    HE   ARG  19           HE       ARG  19  -9.783  -8.985   0.226
  130   1HH1  ARG  19          2HH1      ARG  19  -9.765 -11.815  -1.842
  131   2HH1  ARG  19          1HH1      ARG  19 -11.482 -11.772  -2.129
  132   1HH2  ARG  19          2HH2      ARG  19 -12.029  -8.931  -0.139
  133   2HH2  ARG  19          1HH2      ARG  19 -12.768 -10.117  -1.172
  134    H    SER  20           H        SER  20  -7.562  -6.860  -4.042
  135    HA   SER  20           HA       SER  20  -7.111  -4.125  -4.005
  136   1HB   SER  20          1HB       SER  20  -9.356  -4.305  -5.328
  137   2HB   SER  20          2HB       SER  20  -7.904  -5.055  -5.962
  138    HG   SER  20           HG       SER  20 -10.084  -6.281  -5.685
  139    H    ASP  21           H        ASP  21  -9.632  -6.126  -2.561
  140    HA   ASP  21           HA       ASP  21 -11.209  -4.045  -1.507
  141   1HB   ASP  21          1HB       ASP  21 -12.509  -5.848  -1.246
  142   2HB   ASP  21          2HB       ASP  21 -11.143  -6.920  -1.507
  143    H    HIS  22           H        HIS  22  -8.298  -5.604  -0.400
  144    HA   HIS  22           HA       HIS  22  -8.443  -4.665   2.303
  145   1HB   HIS  22          1HB       HIS  22  -6.326  -5.915   0.609
  146   2HB   HIS  22          2HB       HIS  22  -5.841  -5.078   2.076
  147    HD1  HIS  22           1HD      HIS  22  -5.252  -7.000   3.571
  148    HD2  HIS  22           2HD      HIS  22  -8.979  -7.428   1.772
  149    HE1  HIS  22           1HE      HIS  22  -6.278  -9.043   4.619
  150    HE2  HIS  22           2HE      HIS  22  -8.435  -9.404   3.364
  151    H    LEU  23           H        LEU  23  -6.919  -3.554  -0.676
  152    HA   LEU  23           HA       LEU  23  -5.603  -1.313   0.455
  153   1HB   LEU  23          1HB       LEU  23  -4.913  -2.207  -1.692
  154   2HB   LEU  23          2HB       LEU  23  -6.489  -1.855  -2.378
  155    HG   LEU  23           HG       LEU  23  -6.000   0.597  -1.895
  156   1HD1  LEU  23          1HD1      LEU  23  -4.082   1.249  -0.986
  157   2HD1  LEU  23          2HD1      LEU  23  -3.849  -0.438  -0.529
  158   3HD1  LEU  23          3HD1      LEU  23  -3.135   0.177  -2.019
  159   1HD2  LEU  23          1HD2      LEU  23  -4.160  -0.765  -3.855
  160   2HD2  LEU  23          2HD2      LEU  23  -5.875  -0.465  -4.138
  161   3HD2  LEU  23          3HD2      LEU  23  -4.764   0.889  -3.931
  162    H    ALA  24           H        ALA  24  -8.698  -1.738  -1.201
  163    HA   ALA  24           HA       ALA  24  -9.503   0.966  -1.092
  164   1HB   ALA  24          1HB       ALA  24 -10.974  -1.629  -1.414
  165   2HB   ALA  24          2HB       ALA  24 -11.845  -0.101  -1.284
  166   3HB   ALA  24          3HB       ALA  24 -10.698  -0.353  -2.600
  167    H    LEU  25           H        LEU  25  -9.613  -1.644   1.220
  168    HA   LEU  25           HA       LEU  25 -11.409  -0.410   3.063
  169   1HB   LEU  25          1HB       LEU  25  -9.903  -2.845   2.881
  170   2HB   LEU  25          2HB       LEU  25  -9.626  -2.116   4.450
  171    HG   LEU  25           HG       LEU  25 -12.433  -2.390   3.480
  172   1HD1  LEU  25          1HD1      LEU  25 -10.922  -4.577   3.292
  173   2HD1  LEU  25          2HD1      LEU  25 -11.292  -4.646   5.015
  174   3HD1  LEU  25          3HD1      LEU  25 -12.600  -4.623   3.833
  175   1HD2  LEU  25          1HD2      LEU  25 -11.094  -1.653   5.883
  176   2HD2  LEU  25          2HD2      LEU  25 -12.825  -1.678   5.545
  177   3HD2  LEU  25          3HD2      LEU  25 -12.029  -3.118   6.185
  178    H    HIS  26           H        HIS  26  -8.134   0.067   2.235
  179    HA   HIS  26           HA       HIS  26  -7.534   1.420   4.764
  180   1HB   HIS  26          1HB       HIS  26  -5.785  -0.060   4.125
  181   2HB   HIS  26          2HB       HIS  26  -5.836   0.481   2.452
  182    HD1  HIS  26           1HD      HIS  26  -4.757   1.757   5.870
  183    HD2  HIS  26           2HD      HIS  26  -4.146   2.483   1.828
  184    HE1  HIS  26           1HE      HIS  26  -2.988   3.563   5.725
  185    H    ARG  27           H        ARG  27  -7.606   1.968   1.263
  186    HA   ARG  27           HA       ARG  27  -6.903   4.737   1.520
  187   1HB   ARG  27          1HB       ARG  27  -7.928   3.171  -0.853
  188   2HB   ARG  27          2HB       ARG  27  -7.316   4.818  -0.924
  189   1HG   ARG  27          1HG       ARG  27  -5.309   3.424   0.362
  190   2HG   ARG  27          2HG       ARG  27  -5.881   2.299  -0.857
  191   1HD   ARG  27          1HD       ARG  27  -3.972   4.076  -1.353
  192   2HD   ARG  27          2HD       ARG  27  -5.138   3.563  -2.579
  193    HE   ARG  27           HE       ARG  27  -5.975   5.888  -1.104
  194   1HH1  ARG  27          2HH1      ARG  27  -4.116   4.743  -3.844
  195   2HH1  ARG  27          1HH1      ARG  27  -4.158   6.277  -4.669
  196   1HH2  ARG  27          2HH2      ARG  27  -6.019   7.902  -2.186
  197   2HH2  ARG  27          1HH2      ARG  27  -5.210   8.075  -3.713
  198    H    LYS  28           H        LYS  28  -9.652   3.249   2.339
  199    HA   LYS  28           HA       LYS  28 -11.689   4.812   1.185
  200   1HB   LYS  28          1HB       LYS  28 -13.052   4.122   3.137
  201   2HB   LYS  28          2HB       LYS  28 -12.241   2.774   2.353
  202   1HG   LYS  28          1HG       LYS  28 -11.009   2.292   4.166
  203   2HG   LYS  28          2HG       LYS  28 -10.764   3.989   4.580
  204   1HD   LYS  28          1HD       LYS  28 -12.456   3.972   6.039
  205   2HD   LYS  28          2HD       LYS  28 -13.530   3.165   4.894
  206   1HE   LYS  28          2HE       LYS  28 -11.580   1.289   5.754
  207   2HE   LYS  28          1HE       LYS  28 -12.236   2.085   7.182
  208   1HZ   LYS  28          1HZ       LYS  28 -13.635   0.463   5.157
  209   2HZ   LYS  28          2HZ       LYS  28 -14.493   1.606   6.068
  210   3HZ   LYS  28          3HZ       LYS  28 -13.683   0.337   6.851
  211    H    ARG  29           H        ARG  29  -9.656   5.306   4.031
  212    HA   ARG  29           HA       ARG  29 -11.004   7.714   4.788
  213   1HB   ARG  29          1HB       ARG  29  -8.938   7.937   6.308
  214   2HB   ARG  29          2HB       ARG  29 -10.066   6.627   6.615
  215   1HG   ARG  29          1HG       ARG  29  -8.568   5.027   6.058
  216   2HG   ARG  29          2HG       ARG  29  -7.807   6.019   4.814
  217   1HD   ARG  29          1HD       ARG  29  -6.884   5.481   7.421
  218   2HD   ARG  29          2HD       ARG  29  -6.161   6.537   6.209
  219    HE   ARG  29           HE       ARG  29  -8.205   7.508   8.101
  220   1HH1  ARG  29          2HH1      ARG  29  -5.015   7.719   6.689
  221   2HH1  ARG  29          1HH1      ARG  29  -4.703   9.321   7.296
  222   1HH2  ARG  29          2HH2      ARG  29  -7.807   9.602   8.925
  223   2HH2  ARG  29          1HH2      ARG  29  -6.284  10.378   8.602
  224    H    HIS  30           H        HIS  30  -8.743   6.936   2.430
  225    HA   HIS  30           HA       HIS  30  -7.431   9.528   2.403
  226   1HB   HIS  30          1HB       HIS  30  -7.263   7.185   0.501
  227   2HB   HIS  30          2HB       HIS  30  -6.352   8.677   0.308
  228    HD1  HIS  30           1HD      HIS  30  -5.648   8.877   3.454
  229    HD2  HIS  30           2HD      HIS  30  -5.014   5.645   0.920
  230    HE1  HIS  30           1HE      HIS  30  -3.833   7.476   4.520
  231    H    MET  31           H        MET  31 -10.125   7.938   1.071
  232    HA   MET  31           HA       MET  31 -10.623   9.486  -1.223
  233   1HB   MET  31          1HB       MET  31 -12.022   7.528   0.389
  234   2HB   MET  31          2HB       MET  31 -13.111   8.810  -0.119
  235   1HG   MET  31          1HG       MET  31 -11.886   8.323  -2.444
  236   2HG   MET  31          2HG       MET  31 -11.754   6.731  -1.702
  237   1HE   MET  31          1HE       MET  31 -14.524   5.157  -1.264
  238   2HE   MET  31          2HE       MET  31 -14.515   5.154  -3.028
  239   3HE   MET  31          3HE       MET  31 -12.992   5.164  -2.138
  240    H    LEU  32           H        LEU  32 -11.356   9.942   2.171
  241    HA   LEU  32           HA       LEU  32 -12.504  12.575   1.548
  242   1HB   LEU  32          1HB       LEU  32 -12.942  11.819   4.269
  243   2HB   LEU  32          2HB       LEU  32 -14.119  12.144   3.013
  244    HG   LEU  32           HG       LEU  32 -12.869   9.482   2.866
  245   1HD1  LEU  32          1HD1      LEU  32 -13.146   8.923   4.998
  246   2HD1  LEU  32          2HD1      LEU  32 -13.949  10.451   5.361
  247   3HD1  LEU  32          3HD1      LEU  32 -14.882   9.093   4.735
  248   1HD2  LEU  32          1HD2      LEU  32 -15.664  10.584   2.700
  249   2HD2  LEU  32          2HD2      LEU  32 -14.643  10.026   1.374
  250   3HD2  LEU  32          3HD2      LEU  32 -15.275   8.871   2.548
  251    H    VAL  33           H        VAL  33  -9.776  12.359   1.480
  252    HA   VAL  33           HA       VAL  33  -9.058  13.966   3.823
  253    HB   VAL  33           HB       VAL  33  -8.112  11.460   3.656
  254   1HG1  VAL  33          1HG1      VAL  33  -6.178  13.114   2.049
  255   2HG1  VAL  33          2HG1      VAL  33  -5.740  11.601   2.844
  256   3HG1  VAL  33          3HG1      VAL  33  -6.970  11.609   1.582
  257   1HG2  VAL  33          1HG2      VAL  33  -6.645  13.899   4.628
  258   2HG2  VAL  33          2HG2      VAL  33  -7.741  12.863   5.543
  259   3HG2  VAL  33          3HG2      VAL  33  -6.174  12.246   5.017
  Start of MODEL   20
    1   1H    GLY   1          1H        GLY   1   9.112 -15.757  -5.675
    2   2H    GLY   1          2H        GLY   1   9.095 -15.364  -4.027
    3   3H    GLY   1          3H        GLY   1  10.071 -14.484  -5.094
    4   1HA   GLY   1          2HA       GLY   1   8.083 -13.682  -6.250
    5   2HA   GLY   1          1HA       GLY   1   7.106 -14.528  -5.058
    6    H    SER   2           H        SER   2   7.351 -11.634  -5.710
    7    HA   SER   2           HA       SER   2   8.605 -10.527  -3.337
    8   1HB   SER   2          1HB       SER   2   7.051  -8.725  -5.068
    9   2HB   SER   2          2HB       SER   2   8.718  -8.593  -4.504
   10    HG   SER   2           HG       SER   2   8.035  -9.138  -6.898
   11    H    THR   3           H        THR   3   7.495 -10.640  -1.510
   12    HA   THR   3           HA       THR   3   4.582 -10.267  -1.566
   13    HB   THR   3           HB       THR   3   5.940 -11.073   0.945
   14    HG1  THR   3           1HG      THR   3   5.708 -12.780  -1.343
   15   1HG2  THR   3          1HG2      THR   3   3.940 -12.042   1.425
   16   2HG2  THR   3          2HG2      THR   3   3.676 -12.577  -0.235
   17   3HG2  THR   3          3HG2      THR   3   3.363 -10.900   0.212
   18    H    GLY   4           H        GLY   4   7.239  -8.490  -1.256
   19   1HA   GLY   4          1HA       GLY   4   6.512  -6.851   1.017
   20   2HA   GLY   4          2HA       GLY   4   7.818  -6.544  -0.120
   21    H    ILE   5           H        ILE   5   7.031  -6.019  -2.401
   22    HA   ILE   5           HA       ILE   5   5.033  -3.914  -2.206
   23    HB   ILE   5           HB       ILE   5   6.705  -4.812  -4.562
   24   1HG1  ILE   5          2HG1      ILE   5   8.172  -3.851  -2.980
   25   2HG1  ILE   5          1HG1      ILE   5   7.828  -2.560  -4.130
   26   1HG2  ILE   5          1HG2      ILE   5   5.331  -2.172  -4.449
   27   2HG2  ILE   5          2HG2      ILE   5   5.824  -3.132  -5.845
   28   3HG2  ILE   5          3HG2      ILE   5   4.407  -3.604  -4.907
   29   1HD1  ILE   5          1HD1      ILE   5   7.777  -1.620  -1.956
   30   2HD1  ILE   5          2HD1      ILE   5   6.106  -1.716  -2.516
   31   3HD1  ILE   5          3HD1      ILE   5   6.718  -2.897  -1.357
   32    H    LYS   6           H        LYS   6   2.966  -4.200  -2.703
   33    HA   LYS   6           HA       LYS   6   2.214  -6.694  -4.084
   34   1HB   LYS   6          1HB       LYS   6   0.988  -5.117  -1.873
   35   2HB   LYS   6          2HB       LYS   6  -0.070  -6.020  -2.952
   36   1HG   LYS   6          1HG       LYS   6   0.268  -7.703  -1.523
   37   2HG   LYS   6          2HG       LYS   6   1.804  -7.895  -2.370
   38   1HD   LYS   6          1HD       LYS   6   2.929  -7.402  -0.515
   39   2HD   LYS   6          2HD       LYS   6   2.065  -5.869  -0.363
   40   1HE   LYS   6          2HE       LYS   6   0.697  -6.662   1.229
   41   2HE   LYS   6          1HE       LYS   6   0.488  -8.210   0.412
   42   1HZ   LYS   6          1HZ       LYS   6   3.098  -8.162   1.339
   43   2HZ   LYS   6          2HZ       LYS   6   1.810  -9.089   1.935
   44   3HZ   LYS   6          3HZ       LYS   6   2.148  -7.571   2.614
   45    HA   PRO   7           HA       PRO   7   0.472  -4.743  -7.556
   46   1HB   PRO   7          1HB       PRO   7  -2.103  -5.812  -7.577
   47   2HB   PRO   7          2HB       PRO   7  -0.670  -6.564  -8.282
   48   1HG   PRO   7          1HG       PRO   7  -1.995  -7.088  -5.670
   49   2HG   PRO   7          2HG       PRO   7  -1.173  -8.213  -6.762
   50   1HD   PRO   7          1HD       PRO   7  -0.037  -7.353  -4.494
   51   2HD   PRO   7          2HD       PRO   7   0.915  -7.672  -5.956
   52    H    PHE   8           H        PHE   8  -1.392  -4.635  -4.620
   53    HA   PHE   8           HA       PHE   8  -2.603  -2.102  -5.490
   54   1HB   PHE   8          1HB       PHE   8  -3.535  -3.822  -3.186
   55   2HB   PHE   8          2HB       PHE   8  -4.391  -2.483  -3.950
   56    HD1  PHE   8           1HD      PHE   8  -3.514  -6.013  -4.168
   57    HD2  PHE   8           2HD      PHE   8  -5.442  -2.763  -6.124
   58    HE1  PHE   8           1HE      PHE   8  -4.648  -7.593  -5.677
   59    HE2  PHE   8           2HE      PHE   8  -6.569  -4.338  -7.640
   60    HZ   PHE   8           HZ       PHE   8  -6.166  -6.758  -7.421
   61    H    GLN   9           H        GLN   9  -1.231  -0.562  -4.859
   62    HA   GLN   9           HA       GLN   9  -0.121  -0.737  -2.139
   63   1HB   GLN   9          1HB       GLN   9   1.134  -0.381  -4.732
   64   2HB   GLN   9          2HB       GLN   9   1.557   0.913  -3.618
   65   1HG   GLN   9          1HG       GLN   9   1.706  -1.574  -2.244
   66   2HG   GLN   9          2HG       GLN   9   2.610  -1.694  -3.753
   67   1HE2  GLN   9          1HE2      GLN   9   2.153   0.448  -0.960
   68   2HE2  GLN   9          2HE2      GLN   9   3.807   0.982  -0.893
   69    H    CYS  10           H        CYS  10  -0.272   0.985  -0.846
   70    HA   CYS  10           HA       CYS  10  -1.922   3.209  -1.680
   71   1HB   CYS  10          1HB       CYS  10  -2.399   2.664   0.535
   72   2HB   CYS  10          2HB       CYS  10  -0.725   2.293   0.906
   73    HA   PRO  11           HA       PRO  11   1.689   5.693  -2.580
   74   1HB   PRO  11          1HB       PRO  11   0.445   7.725  -3.729
   75   2HB   PRO  11          2HB       PRO  11   0.435   6.130  -4.489
   76   1HG   PRO  11          1HG       PRO  11  -1.717   7.508  -2.951
   77   2HG   PRO  11          2HG       PRO  11  -1.847   6.466  -4.378
   78   1HD   PRO  11          1HD       PRO  11  -2.243   5.685  -1.707
   79   2HD   PRO  11          2HD       PRO  11  -2.032   4.602  -3.096
   80    H    ASP  12           H        ASP  12  -0.519   6.159  -0.145
   81    HA   ASP  12           HA       ASP  12   0.413   8.862   0.527
   82   1HB   ASP  12          1HB       ASP  12  -2.088   7.812   0.571
   83   2HB   ASP  12          2HB       ASP  12  -1.598   7.535   2.236
   84    H    CYS  13           H        CYS  13   0.210   5.596   1.893
   85    HA   CYS  13           HA       CYS  13   2.120   6.449   3.977
   86   1HB   CYS  13          1HB       CYS  13   0.467   3.998   4.346
   87   2HB   CYS  13          2HB       CYS  13   1.092   5.121   5.547
   88    H    ASP  14           H        ASP  14   1.834   4.712   1.196
   89    HA   ASP  14           HA       ASP  14   3.152   3.206   0.115
   90   1HB   ASP  14          1HB       ASP  14   4.984   4.461   1.579
   91   2HB   ASP  14          2HB       ASP  14   5.050   2.906   2.399
   92    H    TRP  15           H        TRP  15   0.958   2.443   1.690
   93    HA   TRP  15           HA       TRP  15   1.625   0.006   3.095
   94   1HB   TRP  15          1HB       TRP  15  -0.773   1.654   2.663
   95   2HB   TRP  15          2HB       TRP  15  -1.087  -0.078   2.696
   96    HD1  TRP  15           HD       TRP  15  -0.206   2.843   4.916
   97    HE1  TRP  15           1HE      TRP  15  -0.217   2.080   7.372
   98    HE3  TRP  15           3HE      TRP  15  -0.567  -2.201   4.185
   99    HZ2  TRP  15           2HZ      TRP  15  -0.362  -0.351   8.811
  100    HZ3  TRP  15           3HZ      TRP  15  -0.635  -3.677   6.149
  101    HH2  TRP  15           HH       TRP  15  -0.531  -2.770   8.414
  102    H    SER  16           H        SER  16   1.066  -2.105   2.384
  103    HA   SER  16           HA       SER  16   0.550  -2.297  -0.509
  104   1HB   SER  16          1HB       SER  16   2.195  -4.465   0.503
  105   2HB   SER  16          2HB       SER  16   2.497  -3.366  -0.843
  106    HG   SER  16           HG       SER  16   3.001  -1.816   1.002
  107    H    PHE  17           H        PHE  17  -0.979  -3.669  -1.122
  108    HA   PHE  17           HA       PHE  17  -1.905  -5.736   0.760
  109   1HB   PHE  17          1HB       PHE  17  -3.725  -3.923  -0.842
  110   2HB   PHE  17          2HB       PHE  17  -4.217  -5.158   0.311
  111    HD1  PHE  17           1HD      PHE  17  -4.138  -4.767   2.667
  112    HD2  PHE  17           2HD      PHE  17  -2.767  -1.811  -0.074
  113    HE1  PHE  17           1HE      PHE  17  -4.124  -3.099   4.473
  114    HE2  PHE  17           2HE      PHE  17  -2.751  -0.137   1.729
  115    HZ   PHE  17           HZ       PHE  17  -3.432  -0.786   4.007
  116    H    SER  18           H        SER  18  -2.399  -7.654  -0.172
  117    HA   SER  18           HA       SER  18  -1.833  -7.968  -2.992
  118   1HB   SER  18          1HB       SER  18  -2.896 -10.273  -1.473
  119   2HB   SER  18          2HB       SER  18  -1.462 -10.158  -2.494
  120    HG   SER  18           HG       SER  18  -0.342  -9.972  -0.737
  121    H    ARG  19           H        ARG  19  -4.528  -7.348  -1.068
  122    HA   ARG  19           HA       ARG  19  -6.371  -8.228  -3.210
  123   1HB   ARG  19          1HB       ARG  19  -6.642  -8.244  -0.220
  124   2HB   ARG  19          2HB       ARG  19  -8.075  -8.074  -1.225
  125   1HG   ARG  19          1HG       ARG  19  -7.396 -10.177  -2.395
  126   2HG   ARG  19          2HG       ARG  19  -6.137 -10.364  -1.175
  127   1HD   ARG  19          1HD       ARG  19  -8.183 -11.656  -0.674
  128   2HD   ARG  19          2HD       ARG  19  -7.768 -10.485   0.578
  129    HE   ARG  19           HE       ARG  19  -9.581  -9.317  -1.247
  130   1HH1  ARG  19          2HH1      ARG  19  -9.448 -11.746   1.282
  131   2HH1  ARG  19          1HH1      ARG  19 -11.118 -11.556   1.735
  132   1HH2  ARG  19          2HH2      ARG  19 -11.799  -9.112  -0.695
  133   2HH2  ARG  19          1HH2      ARG  19 -12.444 -10.043   0.629
  134    H    SER  20           H        SER  20  -7.642  -6.900  -4.077
  135    HA   SER  20           HA       SER  20  -7.148  -4.174  -3.984
  136   1HB   SER  20          1HB       SER  20  -9.253  -4.182  -5.412
  137   2HB   SER  20          2HB       SER  20  -7.921  -5.163  -5.971
  138    HG   SER  20           HG       SER  20 -10.324  -5.976  -5.684
  139    H    ASP  21           H        ASP  21  -9.696  -6.138  -2.543
  140    HA   ASP  21           HA       ASP  21 -11.284  -4.021  -1.547
  141   1HB   ASP  21          1HB       ASP  21 -11.787  -6.581  -1.753
  142   2HB   ASP  21          2HB       ASP  21 -11.070  -6.666  -0.146
  143    H    HIS  22           H        HIS  22  -8.468  -5.697  -0.325
  144    HA   HIS  22           HA       HIS  22  -8.606  -4.693   2.330
  145   1HB   HIS  22          1HB       HIS  22  -6.514  -6.034   0.683
  146   2HB   HIS  22          2HB       HIS  22  -6.009  -5.201   2.148
  147    HD1  HIS  22           1HD      HIS  22  -5.499  -7.180   3.627
  148    HD2  HIS  22           2HD      HIS  22  -9.254  -7.412   1.845
  149    HE1  HIS  22           1HE      HIS  22  -6.674  -9.100   4.754
  150    HE2  HIS  22           2HE      HIS  22  -9.025  -9.046   3.843
  151    H    LEU  23           H        LEU  23  -6.951  -3.623  -0.607
  152    HA   LEU  23           HA       LEU  23  -5.628  -1.404   0.541
  153   1HB   LEU  23          1HB       LEU  23  -4.941  -2.251  -1.616
  154   2HB   LEU  23          2HB       LEU  23  -6.526  -1.928  -2.294
  155    HG   LEU  23           HG       LEU  23  -6.078   0.531  -1.792
  156   1HD1  LEU  23          1HD1      LEU  23  -4.026   1.277  -1.176
  157   2HD1  LEU  23          2HD1      LEU  23  -4.039  -0.270  -0.328
  158   3HD1  LEU  23          3HD1      LEU  23  -3.186  -0.114  -1.865
  159   1HD2  LEU  23          1HD2      LEU  23  -4.077   0.124  -3.750
  160   2HD2  LEU  23          2HD2      LEU  23  -5.292  -1.138  -3.953
  161   3HD2  LEU  23          3HD2      LEU  23  -5.770   0.559  -3.986
  162    H    ALA  24           H        ALA  24  -8.769  -1.796  -1.035
  163    HA   ALA  24           HA       ALA  24  -9.530   0.917  -0.956
  164   1HB   ALA  24          1HB       ALA  24 -11.250   0.130  -2.111
  165   2HB   ALA  24          2HB       ALA  24 -10.654  -1.507  -1.832
  166   3HB   ALA  24          3HB       ALA  24 -11.812  -0.786  -0.713
  167    H    LEU  25           H        LEU  25  -9.749  -1.688   1.376
  168    HA   LEU  25           HA       LEU  25 -11.449  -0.341   3.219
  169   1HB   LEU  25          1HB       LEU  25  -9.955  -2.835   3.095
  170   2HB   LEU  25          2HB       LEU  25  -9.910  -2.122   4.695
  171    HG   LEU  25           HG       LEU  25 -12.282  -2.220   4.908
  172   1HD1  LEU  25          1HD1      LEU  25 -12.805  -1.540   2.584
  173   2HD1  LEU  25          2HD1      LEU  25 -12.420  -3.178   2.053
  174   3HD1  LEU  25          3HD1      LEU  25 -13.775  -2.901   3.147
  175   1HD2  LEU  25          1HD2      LEU  25 -10.699  -4.452   4.656
  176   2HD2  LEU  25          2HD2      LEU  25 -12.332  -4.414   5.322
  177   3HD2  LEU  25          3HD2      LEU  25 -12.081  -4.829   3.626
  178    H    HIS  26           H        HIS  26  -8.152  -0.051   2.409
  179    HA   HIS  26           HA       HIS  26  -7.489   1.312   4.913
  180   1HB   HIS  26          1HB       HIS  26  -5.763  -0.176   4.205
  181   2HB   HIS  26          2HB       HIS  26  -5.852   0.397   2.546
  182    HD1  HIS  26           1HD      HIS  26  -4.818   1.731   5.964
  183    HD2  HIS  26           2HD      HIS  26  -4.056   2.288   1.914
  184    HE1  HIS  26           1HE      HIS  26  -2.965   3.447   5.813
  185    H    ARG  27           H        ARG  27  -7.702   1.831   1.431
  186    HA   ARG  27           HA       ARG  27  -6.986   4.603   1.634
  187   1HB   ARG  27          1HB       ARG  27  -7.956   2.940  -0.692
  188   2HB   ARG  27          2HB       ARG  27  -7.425   4.610  -0.825
  189   1HG   ARG  27          1HG       ARG  27  -5.375   3.310   0.537
  190   2HG   ARG  27          2HG       ARG  27  -5.877   2.179  -0.715
  191   1HD   ARG  27          1HD       ARG  27  -4.058   4.129  -1.084
  192   2HD   ARG  27          2HD       ARG  27  -5.064   3.452  -2.371
  193    HE   ARG  27           HE       ARG  27  -6.169   5.765  -1.014
  194   1HH1  ARG  27          2HH1      ARG  27  -4.294   4.553  -3.701
  195   2HH1  ARG  27          1HH1      ARG  27  -4.509   5.989  -4.668
  196   1HH2  ARG  27          2HH2      ARG  27  -6.478   7.648  -2.276
  197   2HH2  ARG  27          1HH2      ARG  27  -5.764   7.745  -3.855
  198    H    LYS  28           H        LYS  28  -9.655   3.259   2.659
  199    HA   LYS  28           HA       LYS  28 -11.752   4.707   1.433
  200   1HB   LYS  28          1HB       LYS  28 -12.982   4.248   3.567
  201   2HB   LYS  28          2HB       LYS  28 -12.302   2.815   2.811
  202   1HG   LYS  28          1HG       LYS  28 -10.833   2.455   4.495
  203   2HG   LYS  28          2HG       LYS  28 -10.637   4.175   4.843
  204   1HD   LYS  28          1HD       LYS  28 -12.060   3.981   6.540
  205   2HD   LYS  28          2HD       LYS  28 -13.323   3.478   5.413
  206   1HE   LYS  28          2HE       LYS  28 -13.319   1.549   6.543
  207   2HE   LYS  28          1HE       LYS  28 -11.830   1.200   5.666
  208   1HZ   LYS  28          1HZ       LYS  28 -11.708   0.905   8.125
  209   2HZ   LYS  28          2HZ       LYS  28 -11.887   2.585   8.289
  210   3HZ   LYS  28          3HZ       LYS  28 -10.533   1.952   7.488
  211    H    ARG  29           H        ARG  29  -9.395   5.464   3.870
  212    HA   ARG  29           HA       ARG  29 -10.614   8.040   4.422
  213   1HB   ARG  29          1HB       ARG  29  -8.772   8.212   6.120
  214   2HB   ARG  29          2HB       ARG  29  -9.911   6.910   6.396
  215   1HG   ARG  29          1HG       ARG  29  -8.124   5.607   6.634
  216   2HG   ARG  29          2HG       ARG  29  -7.959   5.708   4.884
  217   1HD   ARG  29          1HD       ARG  29  -5.900   6.239   6.313
  218   2HD   ARG  29          2HD       ARG  29  -6.312   7.352   5.010
  219    HE   ARG  29           HE       ARG  29  -7.035   8.933   6.615
  220   1HH1  ARG  29          2HH1      ARG  29  -5.714   6.034   8.075
  221   2HH1  ARG  29          1HH1      ARG  29  -5.447   6.791   9.623
  222   1HH2  ARG  29          2HH2      ARG  29  -6.717   9.910   8.637
  223   2HH2  ARG  29          1HH2      ARG  29  -6.005   9.000   9.938
  224    H    HIS  30           H        HIS  30  -9.119   7.099   1.924
  225    HA   HIS  30           HA       HIS  30  -7.171   9.315   1.802
  226   1HB   HIS  30          1HB       HIS  30  -7.194   6.647   0.393
  227   2HB   HIS  30          2HB       HIS  30  -6.198   7.986  -0.155
  228    HD1  HIS  30           1HD      HIS  30  -5.471   8.789   2.950
  229    HD2  HIS  30           2HD      HIS  30  -4.940   5.156   1.001
  230    HE1  HIS  30           1HE      HIS  30  -3.661   7.549   4.219
  231    H    MET  31           H        MET  31 -10.135   9.151   1.296
  232    HA   MET  31           HA       MET  31 -10.206   9.811  -1.570
  233   1HB   MET  31          1HB       MET  31 -12.300   8.845   0.363
  234   2HB   MET  31          2HB       MET  31 -12.702   9.499  -1.214
  235   1HG   MET  31          1HG       MET  31 -11.290   7.759  -2.248
  236   2HG   MET  31          2HG       MET  31 -11.017   7.077  -0.648
  237   1HE   MET  31          1HE       MET  31 -12.901   4.365  -1.966
  238   2HE   MET  31          2HE       MET  31 -11.531   5.028  -1.073
  239   3HE   MET  31          3HE       MET  31 -13.016   4.610  -0.222
  240    H    LEU  32           H        LEU  32  -9.550  11.479   0.884
  241    HA   LEU  32           HA       LEU  32  -9.763  13.622   1.581
  242   1HB   LEU  32          1HB       LEU  32 -10.371  13.758  -1.130
  243   2HB   LEU  32          2HB       LEU  32 -11.689  14.607  -0.347
  244    HG   LEU  32           HG       LEU  32  -9.347  15.561   0.879
  245   1HD1  LEU  32          1HD1      LEU  32  -7.786  15.979  -0.709
  246   2HD1  LEU  32          2HD1      LEU  32  -8.437  14.484  -1.383
  247   3HD1  LEU  32          3HD1      LEU  32  -8.970  16.043  -2.015
  248   1HD2  LEU  32          1HD2      LEU  32 -11.086  17.053   0.672
  249   2HD2  LEU  32          2HD2      LEU  32  -9.998  17.612  -0.599
  250   3HD2  LEU  32          3HD2      LEU  32 -11.399  16.623  -1.008
  251    H    VAL  33           H        VAL  33 -11.442  11.589   2.532
  252    HA   VAL  33           HA       VAL  33 -13.689  13.221   3.501
  253    HB   VAL  33           HB       VAL  33 -13.827  10.226   3.041
  254   1HG1  VAL  33          1HG1      VAL  33 -15.319  10.650   4.755
  255   2HG1  VAL  33          2HG1      VAL  33 -15.727  12.255   4.146
  256   3HG1  VAL  33          3HG1      VAL  33 -16.341  10.818   3.328
  257   1HG2  VAL  33          1HG2      VAL  33 -15.173  12.408   1.457
  258   2HG2  VAL  33          2HG2      VAL  33 -13.771  11.484   0.918
  259   3HG2  VAL  33          3HG2      VAL  33 -15.312  10.670   1.192