*HEADER    TOXIN                                   05-SEP-05   2AXK              
*TITLE     SOLUTION STRUCTURE OF DISCREPIN, A SCORPION VENOM TOXIN               
*TITLE    2 BLOCKING K+ CHANNELS.                                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DISCREPIN;                                                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS SEQUENCE OCCURS NATURALLY IN THE VENOM           
*SOURCE   4 OF SCORPION TITYUS DISCREPANS.                                       
*KEYWDS    DISCREPIN, SCORPION TOXIN, A-CURRENT, K+-CHANNEL, NMR                 
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    A.PROCHNICKA-CHALUFOUR, G.CORZO, H.SATAKE, M.-F.MARTIN-               
*AUTHOR   2 EAUCLAIRE, A.R.MURGIA, G.PRESTIPINO, G.D'SUZE, L.D.POSSANI,          
*AUTHOR   3 M.DELEPIERRE                                                         
*REVDAT   1   20-JUN-06 2AXK    0                                                


! Unambiguous distance constraints : 455
 ASSI {    6}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      2.000     0.500     0.500 peak     6 spectrum    1 weight  0.10000E+01 volume  0.15029E-01 ppm1      5.521 ppm2      9.025 CV     1
 ASSI {    8}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      2.200     0.600     0.600 peak     8 spectrum    1 weight  0.10000E+01 volume  0.97882E-02 ppm1      4.871 ppm2      8.854 CV     1
 ASSI {   10}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 3    and name HN  ))
      2.100     0.500     0.500 peak    10 spectrum    1 weight  0.10000E+01 volume  0.16029E-01 ppm1      3.982 ppm2      8.802 CV     1
 ASSI {   12}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      2.200     0.600     0.600 peak    12 spectrum    1 weight  0.10000E+01 volume  0.10277E-01 ppm1      5.157 ppm2      8.750 CV     1
 ASSI {   14}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      2.100     0.500     0.500 peak    14 spectrum    1 weight  0.10000E+01 volume  0.12585E-01 ppm1      4.923 ppm2      8.698 CV     1
 ASSI {   16}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
      2.300     0.700     0.700 peak    16 spectrum    1 weight  0.10000E+01 volume  0.10159E-01 ppm1      3.946 ppm2      8.646 CV     1
 OR {   16}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 12   and name HN  ))
 ASSI {   23}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      2.100     0.600     0.600 peak    23 spectrum    1 weight  0.10000E+01 volume  0.14839E-01 ppm1      3.862 ppm2      8.458 CV     1
 ASSI {   28}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      2.000     0.500     0.500 peak    28 spectrum    1 weight  0.10000E+01 volume  0.17546E-01 ppm1      4.757 ppm2      8.193 CV     1
 ASSI {   30}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      2.100     0.500     0.500 peak    30 spectrum    1 weight  0.10000E+01 volume  0.13144E-01 ppm1      4.819 ppm2      8.115 CV     1
 ASSI {   32}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      2.200     0.600     0.600 peak    32 spectrum    1 weight  0.10000E+01 volume  0.10052E-01 ppm1      4.783 ppm2      7.954 CV     1
 ASSI {   34}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      2.100     2.100     3.900 peak    34 spectrum    1 weight  0.10000E+01 volume  0.14618E-01 ppm1      4.725 ppm2      7.944 CV     1
 ASSI {   56}
   (  segid "    " and resid 37   and name HE% )
   (  segid "    " and resid 37   and name HD% )
      1.500     0.300     0.700 peak    56 spectrum    1 weight  0.10000E+01 volume  0.21021E-01 ppm1      6.561 ppm2      6.878 CV     1
 ASSI {  330}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 10   and name HA1 ))
      1.600     0.300     0.600 peak   330 spectrum    1 weight  0.10000E+01 volume  0.49888E-01 ppm1      4.205 ppm2      4.257 CV     1
 ASSI {  335}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HA  ))
      1.900     0.400     0.400 peak   335 spectrum    1 weight  0.10000E+01 volume  0.33596E-01 ppm1      3.946 ppm2      4.153 CV     1
 OR {  335}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 12   and name HA  ))
 ASSI {  341}
   (( segid "    " and resid 32   and name HA2 ))
   (( segid "    " and resid 32   and name HA1 ))
      1.600     0.300     0.600 peak   341 spectrum    1 weight  0.10000E+01 volume  0.43527E-01 ppm1      3.972 ppm2      4.065 CV     1
 ASSI {  348}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 9    and name HB2 ))
      1.500     0.300     0.700 peak   348 spectrum    1 weight  0.10000E+01 volume  0.64138E-01 ppm1      3.821 ppm2      3.920 CV     1
 ASSI {  368}
   (( segid "    " and resid 38   and name HD2 ))
   (( segid "    " and resid 38   and name HD3 ))
      1.800     0.400     0.400 peak   368 spectrum    1 weight  0.10000E+01 volume  0.16324E-01 ppm1      3.758 ppm2      3.384 CV     1
 ASSI {  375}
   (( segid "    " and resid 33   and name HD3 ))
   (( segid "    " and resid 33   and name HD2 ))
      1.700     0.400     0.500 peak   375 spectrum    1 weight  0.10000E+01 volume  0.17324E-01 ppm1      3.062 ppm2      3.181 CV     1
 ASSI {  394}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HB3 ))
      1.600     0.300     0.600 peak   394 spectrum    1 weight  0.10000E+01 volume  0.43527E-01 ppm1      3.004 ppm2      2.916 CV     1
 ASSI {  396}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HB3 ))
      1.800     0.400     0.400 peak   396 spectrum    1 weight  0.10000E+01 volume  0.16366E-01 ppm1      3.202 ppm2      2.911 CV     1
 ASSI {  399}
   (( segid "    " and resid 13   and name HE2 ))
   (( segid "    " and resid 13   and name HE3 ))
      1.600     0.300     0.600 peak   399 spectrum    1 weight  0.10000E+01 volume  0.30489E-01 ppm1      2.978 ppm2      2.848 CV     1
 ASSI {  406}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HB3 ))
      1.700     0.400     0.500 peak   406 spectrum    1 weight  0.10000E+01 volume  0.18567E-01 ppm1      3.374 ppm2      2.760 CV     1
 ASSI {  407}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HB3 ))
      2.000     0.500     0.500 peak   407 spectrum    1 weight  0.10000E+01 volume  0.10440E-01 ppm1      3.046 ppm2      2.760 CV     1
 ASSI {  412}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HB3 ))
      1.900     0.500     0.500 peak   412 spectrum    1 weight  0.10000E+01 volume  0.14313E-01 ppm1      3.212 ppm2      2.625 CV     1
 ASSI {  418}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HB3 ))
      1.800     0.400     0.400 peak   418 spectrum    1 weight  0.10000E+01 volume  0.20579E-01 ppm1      2.947 ppm2      2.531 CV     1
 ASSI {  426}
   (( segid "    " and resid 38   and name HG3 ))
   (( segid "    " and resid 38   and name HG2 ))
      1.900     0.400     0.400 peak   426 spectrum    1 weight  0.10000E+01 volume  0.11164E-01 ppm1      1.814 ppm2      2.048 CV     1
 ASSI {  428}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HB3 ))
      1.700     0.400     0.500 peak   428 spectrum    1 weight  0.10000E+01 volume  0.16872E-01 ppm1      2.968 ppm2      2.027 CV     1
 ASSI {  432}
   (( segid "    " and resid 1    and name HB3 ))
   (( segid "    " and resid 1    and name HB2 ))
      1.900     0.400     0.400 peak   432 spectrum    1 weight  0.10000E+01 volume  0.12933E-01 ppm1      1.725 ppm2      1.913 CV     1
 ASSI {  435}
   (( segid "    " and resid 38   and name HG2 ))
   (( segid "    " and resid 38   and name HG3 ))
      1.900     0.400     0.400 peak   435 spectrum    1 weight  0.10000E+01 volume  0.12807E-01 ppm1      2.063 ppm2      1.829 CV     1
 OR {  435}
   (( segid "    " and resid 38   and name HB3 ))
   (( segid "    " and resid 38   and name HG3 ))
 ASSI {  438}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HB3 ))
      1.900     0.400     0.400 peak   438 spectrum    1 weight  0.10000E+01 volume  0.12996E-01 ppm1      2.032 ppm2      1.793 CV     1
 ASSI {  444}
   (( segid "    " and resid 16   and name HE3 ))
   (( segid "    " and resid 16   and name HD2 ))
      2.200     0.600     0.600 peak   444 spectrum    1 weight  0.10000E+01 volume  0.10492E-01 ppm1      2.984 ppm2      1.679 CV     1
 OR {  444}
   (( segid "    " and resid 16   and name HE2 ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {  444}
   (( segid "    " and resid 16   and name HE3 ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {  444}
   (( segid "    " and resid 16   and name HE2 ))
   (( segid "    " and resid 16   and name HD2 ))
 ASSI {  448}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 16   and name HG2 ))
      2.100     0.600     0.600 peak   448 spectrum    1 weight  0.10000E+01 volume  0.14787E-01 ppm1      1.679 ppm2      1.507 CV     1
 OR {  448}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 16   and name HG2 ))
 ASSI {  450}
   (( segid "    " and resid 13   and name HG3 ))
   (( segid "    " and resid 13   and name HG2 ))
      1.700     0.400     0.500 peak   450 spectrum    1 weight  0.10000E+01 volume  0.25518E-01 ppm1      1.387 ppm2      1.471 CV     1
 ASSI {  452}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HG3 ))
      1.700     0.400     0.500 peak   452 spectrum    1 weight  0.10000E+01 volume  0.24233E-01 ppm1      1.486 ppm2      1.403 CV     1
 ASSI {  457}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 27   and name HB% )
      2.100     0.500     0.500 peak   457 spectrum    1 weight  0.10000E+01 volume  0.11606E-01 ppm1      3.296 ppm2      1.159 CV     1
 ASSI {  459}
   (( segid "    " and resid 4    and name HB  ))
   (  segid "    " and resid 4    and name HG2%)
      2.100     0.500     0.500 peak   459 spectrum    1 weight  0.10000E+01 volume  0.11817E-01 ppm1      4.351 ppm2      1.154 CV     1
 ASSI {  460}
   (( segid "    " and resid 15   and name HB  ))
   (  segid "    " and resid 15   and name HG1%)
      2.100     0.600     0.600 peak   460 spectrum    1 weight  0.10000E+01 volume  0.11153E-01 ppm1      2.136 ppm2      1.112 CV     1
 ASSI {  464}
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 24   and name HG1 ))
      2.100     0.600     0.600 peak   464 spectrum    1 weight  0.10000E+01 volume  0.10195E-01 ppm1      4.029 ppm2      1.029 CV     1
 OR {  464}
   (( segid "    " and resid 24   and name HB  ))
   (  segid "    " and resid 24   and name HG2%)
 ASSI {  465}
   (( segid "    " and resid 15   and name HB  ))
   (  segid "    " and resid 15   and name HG2%)
      2.100     0.600     0.600 peak   465 spectrum    1 weight  0.10000E+01 volume  0.10995E-01 ppm1      2.136 ppm2      0.998 CV     1
 ASSI {  466}
   (  segid "    " and resid 15   and name HG1%)
   (  segid "    " and resid 15   and name HG2%)
      2.000     0.500     0.500 peak   466 spectrum    1 weight  0.10000E+01 volume  0.13312E-01 ppm1      1.107 ppm2      0.992 CV     1
 ASSI {  469}
   (( segid "    " and resid 19   and name HB  ))
   (  segid "    " and resid 17   and name HD1%)
      2.500     2.500     3.500 peak   469 spectrum    1 weight  0.10000E+01 volume  0.10509E-01 ppm1      1.819 ppm2      0.888 CV     1
 ASSI {  471}
   (( segid "    " and resid 30   and name HG12))
   (  segid "    " and resid 30   and name HG2%)
      2.100     0.500     0.500 peak   471 spectrum    1 weight  0.10000E+01 volume  0.11542E-01 ppm1      1.439 ppm2      0.873 CV     1
 ASSI {  472}
   (( segid "    " and resid 30   and name HG13))
   (  segid "    " and resid 30   and name HG2%)
      1.900     0.400     0.400 peak   472 spectrum    1 weight  0.10000E+01 volume  0.22748E-01 ppm1      1.044 ppm2      0.873 CV     1
 ASSI {  473}
   (( segid "    " and resid 30   and name HB  ))
   (  segid "    " and resid 30   and name HG2%)
      1.900     0.500     0.500 peak   473 spectrum    1 weight  0.10000E+01 volume  0.17346E-01 ppm1      1.840 ppm2      0.868 CV     1
 ASSI {  477}
   (( segid "    " and resid 19   and name HB  ))
   (  segid "    " and resid 19   and name HD1%)
      1.900     0.500     0.500 peak   477 spectrum    1 weight  0.10000E+01 volume  0.21895E-01 ppm1      1.829 ppm2      0.758 CV     1
 ASSI {  479}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 19   and name HD1%)
      2.100     2.100     3.900 peak   479 spectrum    1 weight  0.10000E+01 volume  0.94887E-02 ppm1      0.987 ppm2      0.753 CV     1
 ASSI {  503}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      2.200     0.600     0.600 peak   503 spectrum    1 weight  0.10000E+01 volume  0.93204E-02 ppm1      5.084 ppm2      9.498 CV     1
 ASSI {  512}
   (  segid "    " and resid 30   and name HG2%)
   (( segid "    " and resid 31   and name HN  ))
      2.400     0.700     0.700 peak   512 spectrum    1 weight  0.10000E+01 volume  0.33754E-02 ppm1      0.862 ppm2      9.451 CV     1
 ASSI {  513}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      3.700     3.700     2.300 peak   513 spectrum    1 weight  0.10000E+01 volume  0.11690E-02 ppm1      5.079 ppm2      9.441 CV     1
 ASSI {  531}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      2.800     1.000     1.000 peak   531 spectrum    1 weight  0.10000E+01 volume  0.28004E-02 ppm1      9.498 ppm2      9.025 CV     1
 ASSI {  533}
   (  segid "    " and resid 37   and name HE% )
   (( segid "    " and resid 28   and name HN  ))
      2.600     0.800     0.800 peak   533 spectrum    1 weight  0.10000E+01 volume  0.23243E-02 ppm1      6.566 ppm2      9.025 CV     1
 ASSI {  536}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      2.600     0.900     0.900 peak   536 spectrum    1 weight  0.10000E+01 volume  0.36292E-02 ppm1      4.564 ppm2      9.025 CV     1
 ASSI {  537}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 28   and name HN  ))
      2.800     1.000     1.000 peak   537 spectrum    1 weight  0.10000E+01 volume  0.27109E-02 ppm1      1.783 ppm2      9.025 CV     1
 OR {  537}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HN  ))
 ASSI {  538}
   (  segid "    " and resid 27   and name HB% )
   (( segid "    " and resid 28   and name HN  ))
      2.700     0.900     0.900 peak   538 spectrum    1 weight  0.10000E+01 volume  0.40379E-02 ppm1      1.159 ppm2      9.025 CV     1
 ASSI {  539}
   (( segid "    " and resid 35   and name HB  ))
   (( segid "    " and resid 28   and name HN  ))
      3.200     1.300     1.300 peak   539 spectrum    1 weight  0.10000E+01 volume  0.14039E-02 ppm1      3.878 ppm2      9.020 CV     1
 ASSI {  546}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      2.900     1.100     1.100 peak   546 spectrum    1 weight  0.10000E+01 volume  0.21927E-02 ppm1      4.595 ppm2      8.859 CV     1
 ASSI {  550}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HN  ))
      3.100     1.200     1.200 peak   550 spectrum    1 weight  0.10000E+01 volume  0.16998E-02 ppm1      3.920 ppm2      8.854 CV     1
 ASSI {  551}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 9    and name HN  ))
      3.100     1.200     1.200 peak   551 spectrum    1 weight  0.10000E+01 volume  0.13428E-02 ppm1      3.821 ppm2      8.854 CV     1
 ASSI {  552}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 9    and name HN  ))
      2.900     1.000     1.000 peak   552 spectrum    1 weight  0.10000E+01 volume  0.19979E-02 ppm1      3.431 ppm2      8.854 CV     1
 ASSI {  553}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 9    and name HN  ))
      3.800     1.800     1.800 peak   553 spectrum    1 weight  0.10000E+01 volume  0.14165E-02 ppm1      2.932 ppm2      8.848 CV     1
 ASSI {  565}
   (( segid "    " and resid 3    and name HB3 ))
   (( segid "    " and resid 3    and name HN  ))
      2.900     1.000     1.000 peak   565 spectrum    1 weight  0.10000E+01 volume  0.36629E-02 ppm1      2.791 ppm2      8.802 CV     1
 ASSI {  566}
   (  segid "    " and resid 2    and name HG2%)
   (( segid "    " and resid 3    and name HN  ))
      3.000     1.100     1.100 peak   566 spectrum    1 weight  0.10000E+01 volume  0.22369E-02 ppm1      0.327 ppm2      8.802 CV     1
 ASSI {  567}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      3.100     1.200     1.200 peak   567 spectrum    1 weight  0.10000E+01 volume  0.14881E-02 ppm1      5.079 ppm2      8.796 CV     1
 ASSI {  568}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HN  ))
      2.900     1.000     1.000 peak   568 spectrum    1 weight  0.10000E+01 volume  0.25276E-02 ppm1      4.777 ppm2      8.796 CV     1
 ASSI {  569}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      2.500     0.800     0.800 peak   569 spectrum    1 weight  0.10000E+01 volume  0.54912E-02 ppm1      5.422 ppm2      8.791 CV     1
 ASSI {  573}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 29   and name HN  ))
      3.100     1.200     1.200 peak   573 spectrum    1 weight  0.10000E+01 volume  0.25487E-02 ppm1      1.777 ppm2      8.770 CV     1
 OR {  573}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
 ASSI {  575}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      2.200     0.600     0.600 peak   575 spectrum    1 weight  0.10000E+01 volume  0.90816E-02 ppm1      4.564 ppm2      8.765 CV     1
 ASSI {  576}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      2.900     1.100     1.100 peak   576 spectrum    1 weight  0.10000E+01 volume  0.21179E-02 ppm1      4.039 ppm2      8.765 CV     1
 ASSI {  577}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      2.600     0.800     0.800 peak   577 spectrum    1 weight  0.10000E+01 volume  0.34217E-02 ppm1      2.843 ppm2      8.765 CV     1
 ASSI {  578}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 29   and name HN  ))
      2.800     1.000     1.000 peak   578 spectrum    1 weight  0.10000E+01 volume  0.31637E-02 ppm1      2.620 ppm2      8.765 CV     1
 ASSI {  580}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      2.900     1.100     1.100 peak   580 spectrum    1 weight  0.10000E+01 volume  0.17693E-02 ppm1      4.928 ppm2      8.755 CV     1
 ASSI {  581}
   (( segid "    " and resid 36   and name HB3 ))
   (( segid "    " and resid 36   and name HN  ))
      3.200     1.300     1.300 peak   581 spectrum    1 weight  0.10000E+01 volume  0.29394E-02 ppm1      2.027 ppm2      8.755 CV     1
 ASSI {  582}
   (( segid "    " and resid 2    and name HB  ))
   (( segid "    " and resid 36   and name HN  ))
      3.000     1.100     1.100 peak   582 spectrum    1 weight  0.10000E+01 volume  0.18146E-02 ppm1      1.060 ppm2      8.755 CV     1
 ASSI {  589}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      2.800     1.000     1.000 peak   589 spectrum    1 weight  0.10000E+01 volume  0.21148E-02 ppm1      5.630 ppm2      8.739 CV     1
 ASSI {  594}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      2.900     1.100     1.100 peak   594 spectrum    1 weight  0.10000E+01 volume  0.21895E-02 ppm1      4.346 ppm2      8.708 CV     1
 ASSI {  601}
   (( segid "    " and resid 30   and name HB  ))
   (( segid "    " and resid 30   and name HN  ))
      2.700     0.900     0.900 peak   601 spectrum    1 weight  0.10000E+01 volume  0.44633E-02 ppm1      1.840 ppm2      8.698 CV     1
 ASSI {  603}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      3.600     1.600     1.600 peak   603 spectrum    1 weight  0.10000E+01 volume  0.14754E-02 ppm1      5.079 ppm2      8.692 CV     1
 ASSI {  608}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      2.700     0.900     0.900 peak   608 spectrum    1 weight  0.10000E+01 volume  0.35618E-02 ppm1      8.802 ppm2      8.646 CV     1
 ASSI {  611}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      2.500     0.800     0.800 peak   611 spectrum    1 weight  0.10000E+01 volume  0.60662E-02 ppm1      4.153 ppm2      8.646 CV     1
 ASSI {  616}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      2.600     0.800     0.800 peak   616 spectrum    1 weight  0.10000E+01 volume  0.37693E-02 ppm1      8.302 ppm2      8.609 CV     1
 ASSI {  619}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      2.700     0.900     0.900 peak   619 spectrum    1 weight  0.10000E+01 volume  0.37809E-02 ppm1      3.628 ppm2      8.609 CV     1
 ASSI {  621}
   (( segid "    " and resid 19   and name HB  ))
   (( segid "    " and resid 19   and name HN  ))
      2.200     0.600     0.600 peak   621 spectrum    1 weight  0.10000E+01 volume  0.95248E-02 ppm1      1.824 ppm2      8.609 CV     1
 ASSI {  626}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      2.300     0.700     0.700 peak   626 spectrum    1 weight  0.10000E+01 volume  0.65401E-02 ppm1      7.304 ppm2      8.573 CV     1
 ASSI {  628}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      3.200     1.300     1.300 peak   628 spectrum    1 weight  0.10000E+01 volume  0.16535E-02 ppm1      4.554 ppm2      8.573 CV     1
 ASSI {  630}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      3.100     1.200     1.200 peak   630 spectrum    1 weight  0.10000E+01 volume  0.16345E-02 ppm1      3.301 ppm2      8.573 CV     1
 ASSI {  631}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
      2.600     0.900     0.900 peak   631 spectrum    1 weight  0.10000E+01 volume  0.26898E-02 ppm1      3.197 ppm2      8.573 CV     1
 ASSI {  632}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 18   and name HN  ))
      2.400     0.700     0.700 peak   632 spectrum    1 weight  0.10000E+01 volume  0.75617E-02 ppm1      2.911 ppm2      8.573 CV     1
 ASSI {  633}
   (( segid "    " and resid 17   and name HB  ))
   (( segid "    " and resid 18   and name HN  ))
      2.800     1.000     1.000 peak   633 spectrum    1 weight  0.10000E+01 volume  0.57956E-02 ppm1      2.131 ppm2      8.573 CV     1
 ASSI {  634}
   (( segid "    " and resid 17   and name HG12))
   (( segid "    " and resid 18   and name HN  ))
      3.900     1.900     1.900 peak   634 spectrum    1 weight  0.10000E+01 volume  0.12722E-02 ppm1      1.606 ppm2      8.573 CV     1
 ASSI {  636}
   (  segid "    " and resid 17   and name HG2%)
   (( segid "    " and resid 18   and name HN  ))
      2.600     0.800     0.800 peak   636 spectrum    1 weight  0.10000E+01 volume  0.25424E-02 ppm1      0.961 ppm2      8.573 CV     1
 ASSI {  638}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      3.000     1.100     1.100 peak   638 spectrum    1 weight  0.10000E+01 volume  0.18904E-02 ppm1      4.850 ppm2      8.547 CV     1
 ASSI {  640}
   (( segid "    " and resid 37   and name HB3 ))
   (( segid "    " and resid 37   and name HN  ))
      3.300     1.400     1.400 peak   640 spectrum    1 weight  0.10000E+01 volume  0.31047E-02 ppm1      2.531 ppm2      8.547 CV     1
 ASSI {  643}
   (  segid "    " and resid 37   and name HD% )
   (( segid "    " and resid 37   and name HN  ))
      2.400     0.700     0.700 peak   643 spectrum    1 weight  0.10000E+01 volume  0.33290E-02 ppm1      6.883 ppm2      8.542 CV     1
 ASSI {  644}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      2.200     0.600     0.600 peak   644 spectrum    1 weight  0.10000E+01 volume  0.84717E-02 ppm1      5.630 ppm2      8.542 CV     1
 ASSI {  646}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
      3.200     1.300     1.300 peak   646 spectrum    1 weight  0.10000E+01 volume  0.26898E-02 ppm1      2.963 ppm2      8.542 CV     1
 ASSI {  647}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      3.400     1.400     1.400 peak   647 spectrum    1 weight  0.10000E+01 volume  0.13870E-02 ppm1      4.772 ppm2      8.526 CV     1
 ASSI {  655}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 2    and name HN  ))
      3.100     1.200     1.200 peak   655 spectrum    1 weight  0.10000E+01 volume  0.17872E-02 ppm1      8.744 ppm2      8.505 CV     1
 ASSI {  657}
   (( segid "    " and resid 2    and name HB  ))
   (( segid "    " and resid 2    and name HN  ))
      2.600     0.800     0.800 peak   657 spectrum    1 weight  0.10000E+01 volume  0.30279E-02 ppm1      1.050 ppm2      8.505 CV     1
 ASSI {  661}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 21   and name HN  ))
      3.100     1.200     1.200 peak   661 spectrum    1 weight  0.10000E+01 volume  0.19684E-02 ppm1      3.015 ppm2      8.495 CV     1
 ASSI {  665}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      2.900     1.000     1.000 peak   665 spectrum    1 weight  0.10000E+01 volume  0.24760E-02 ppm1      4.164 ppm2      8.490 CV     1
 ASSI {  666}
   (( segid "    " and resid 17   and name HG13))
   (( segid "    " and resid 21   and name HN  ))
      3.300     1.300     1.300 peak   666 spectrum    1 weight  0.10000E+01 volume  0.18841E-02 ppm1      1.549 ppm2      8.490 CV     1
 ASSI {  667}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HN  ))
      2.600     0.800     0.800 peak   667 spectrum    1 weight  0.10000E+01 volume  0.28383E-02 ppm1      1.497 ppm2      8.490 CV     1
 ASSI {  670}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      2.700     0.900     0.900 peak   670 spectrum    1 weight  0.10000E+01 volume  0.27782E-02 ppm1      4.762 ppm2      8.458 CV     1
 ASSI {  672}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HN  ))
      3.000     1.100     1.100 peak   672 spectrum    1 weight  0.10000E+01 volume  0.22695E-02 ppm1      1.803 ppm2      8.458 CV     1
 ASSI {  674}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 7    and name HN  ))
      2.800     1.000     1.000 peak   674 spectrum    1 weight  0.10000E+01 volume  0.41579E-02 ppm1      0.951 ppm2      8.458 CV     1
 OR {  674}
   (  segid "    " and resid 6    and name HG1%)
   (( segid "    " and resid 7    and name HN  ))
 ASSI {  675}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 7    and name HN  ))
      3.100     1.200     1.200 peak   675 spectrum    1 weight  0.10000E+01 volume  0.17588E-02 ppm1      1.585 ppm2      8.453 CV     1
 ASSI {  679}
   (( segid "    " and resid 26   and name HA1 ))
   (( segid "    " and resid 26   and name HN  ))
      2.700     0.900     0.900 peak   679 spectrum    1 weight  0.10000E+01 volume  0.31974E-02 ppm1      4.107 ppm2      8.401 CV     1
 ASSI {  682}
   (( segid "    " and resid 26   and name HA2 ))
   (( segid "    " and resid 26   and name HN  ))
      2.400     0.700     0.700 peak   682 spectrum    1 weight  0.10000E+01 volume  0.59483E-02 ppm1      3.514 ppm2      8.396 CV     1
 ASSI {  686}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      2.500     0.800     0.800 peak   686 spectrum    1 weight  0.10000E+01 volume  0.52542E-02 ppm1      4.351 ppm2      8.360 CV     1
 ASSI {  687}
   (( segid "    " and resid 32   and name HA1 ))
   (( segid "    " and resid 32   and name HN  ))
      2.400     0.700     0.700 peak   687 spectrum    1 weight  0.10000E+01 volume  0.65064E-02 ppm1      4.081 ppm2      8.360 CV     1
 ASSI {  689}
   (( segid "    " and resid 32   and name HA2 ))
   (( segid "    " and resid 32   and name HN  ))
      2.900     1.000     1.000 peak   689 spectrum    1 weight  0.10000E+01 volume  0.43548E-02 ppm1      3.940 ppm2      8.360 CV     1
 ASSI {  690}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      2.700     0.900     0.900 peak   690 spectrum    1 weight  0.10000E+01 volume  0.26224E-02 ppm1      9.451 ppm2      8.354 CV     1
 ASSI {  692}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      2.700     0.900     0.900 peak   692 spectrum    1 weight  0.10000E+01 volume  0.28678E-02 ppm1      8.484 ppm2      8.302 CV     1
 ASSI {  695}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      2.700     0.900     0.900 peak   695 spectrum    1 weight  0.10000E+01 volume  0.39304E-02 ppm1      4.398 ppm2      8.302 CV     1
 ASSI {  696}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      2.900     1.000     1.000 peak   696 spectrum    1 weight  0.10000E+01 volume  0.21716E-02 ppm1      3.940 ppm2      8.302 CV     1
 ASSI {  698}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HN  ))
      2.400     0.700     0.700 peak   698 spectrum    1 weight  0.10000E+01 volume  0.49594E-02 ppm1      3.015 ppm2      8.302 CV     1
 ASSI {  700}
   (( segid "    " and resid 19   and name HB  ))
   (( segid "    " and resid 20   and name HN  ))
      2.500     0.800     0.800 peak   700 spectrum    1 weight  0.10000E+01 volume  0.50131E-02 ppm1      1.814 ppm2      8.302 CV     1
 ASSI {  701}
   (  segid "    " and resid 17   and name HD1%)
   (( segid "    " and resid 20   and name HN  ))
      2.900     1.000     1.000 peak   701 spectrum    1 weight  0.10000E+01 volume  0.23391E-02 ppm1      0.888 ppm2      8.302 CV     1
 ASSI {  706}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      2.900     1.000     1.000 peak   706 spectrum    1 weight  0.10000E+01 volume  0.24381E-02 ppm1      5.422 ppm2      8.193 CV     1
 ASSI {  707}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      2.600     0.900     0.900 peak   707 spectrum    1 weight  0.10000E+01 volume  0.42232E-02 ppm1      4.871 ppm2      8.193 CV     1
 ASSI {  709}
   (( segid "    " and resid 32   and name HA2 ))
   (( segid "    " and resid 8    and name HN  ))
      3.400     1.400     1.400 peak   709 spectrum    1 weight  0.10000E+01 volume  0.13533E-02 ppm1      3.972 ppm2      8.193 CV     1
 ASSI {  710}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 8    and name HN  ))
      3.100     1.200     1.200 peak   710 spectrum    1 weight  0.10000E+01 volume  0.13828E-02 ppm1      2.932 ppm2      8.193 CV     1
 ASSI {  711}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 8    and name HN  ))
      3.300     1.300     1.300 peak   711 spectrum    1 weight  0.10000E+01 volume  0.18694E-02 ppm1      1.803 ppm2      8.193 CV     1
 ASSI {  714}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      2.900     1.000     1.000 peak   714 spectrum    1 weight  0.10000E+01 volume  0.22401E-02 ppm1      3.862 ppm2      8.120 CV     1
 ASSI {  716}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      2.900     1.100     1.100 peak   716 spectrum    1 weight  0.10000E+01 volume  0.29226E-02 ppm1      8.521 ppm2      8.115 CV     1
 ASSI {  717}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      2.400     0.700     0.700 peak   717 spectrum    1 weight  0.10000E+01 volume  0.41695E-02 ppm1      8.396 ppm2      8.115 CV     1
 ASSI {  720}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      3.300     1.400     1.400 peak   720 spectrum    1 weight  0.10000E+01 volume  0.15818E-02 ppm1      4.767 ppm2      8.115 CV     1
 ASSI {  721}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      2.500     0.800     0.800 peak   721 spectrum    1 weight  0.10000E+01 volume  0.48340E-02 ppm1      4.335 ppm2      8.115 CV     1
 ASSI {  722}
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 25   and name HN  ))
      3.100     1.200     1.200 peak   722 spectrum    1 weight  0.10000E+01 volume  0.14839E-02 ppm1      4.029 ppm2      8.115 CV     1
 ASSI {  724}
   (( segid "    " and resid 6    and name HB  ))
   (( segid "    " and resid 6    and name HN  ))
      2.400     0.700     0.700 peak   724 spectrum    1 weight  0.10000E+01 volume  0.61684E-02 ppm1      1.767 ppm2      8.115 CV     1
 ASSI {  725}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 6    and name HN  ))
      2.800     1.000     1.000 peak   725 spectrum    1 weight  0.10000E+01 volume  0.22874E-02 ppm1      1.689 ppm2      8.115 CV     1
 OR {  725}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 6    and name HN  ))
 ASSI {  726}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 25   and name HN  ))
      3.200     1.300     1.300 peak   726 spectrum    1 weight  0.10000E+01 volume  0.14228E-02 ppm1      1.621 ppm2      8.115 CV     1
 ASSI {  728}
   (  segid "    " and resid 6    and name HG1%)
   (( segid "    " and resid 6    and name HN  ))
      2.700     0.900     0.900 peak   728 spectrum    1 weight  0.10000E+01 volume  0.69467E-02 ppm1      0.982 ppm2      8.115 CV     1
 ASSI {  729}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HN  ))
      3.200     1.300     1.300 peak   729 spectrum    1 weight  0.10000E+01 volume  0.15945E-02 ppm1      1.892 ppm2      8.110 CV     1
 ASSI {  736}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      3.000     1.100     1.100 peak   736 spectrum    1 weight  0.10000E+01 volume  0.19589E-02 ppm1      5.157 ppm2      7.959 CV     1
 ASSI {  738}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      3.100     1.200     1.200 peak   738 spectrum    1 weight  0.10000E+01 volume  0.14291E-02 ppm1      8.510 ppm2      7.954 CV     1
 ASSI {  740}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 4    and name HN  ))
      2.400     0.700     0.700 peak   740 spectrum    1 weight  0.10000E+01 volume  0.49478E-02 ppm1      1.154 ppm2      7.954 CV     1
 ASSI {  745}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      2.500     0.800     0.800 peak   745 spectrum    1 weight  0.10000E+01 volume  0.67687E-02 ppm1      7.377 ppm2      7.944 CV     1
 ASSI {  747}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      3.500     1.500     1.500 peak   747 spectrum    1 weight  0.10000E+01 volume  0.15218E-02 ppm1      4.845 ppm2      7.944 CV     1
 ASSI {  751}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      3.000     3.000     3.000 peak   751 spectrum    1 weight  0.10000E+01 volume  0.23864E-02 ppm1      3.623 ppm2      7.944 CV     1
 ASSI {  752}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      3.100     1.200     1.200 peak   752 spectrum    1 weight  0.10000E+01 volume  0.13554E-02 ppm1      3.218 ppm2      7.944 CV     1
 ASSI {  754}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 23   and name HN  ))
      2.900     1.100     1.100 peak   754 spectrum    1 weight  0.10000E+01 volume  0.17166E-02 ppm1      2.641 ppm2      7.944 CV     1
 ASSI {  755}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HN  ))
      2.400     0.700     0.700 peak   755 spectrum    1 weight  0.10000E+01 volume  0.48993E-02 ppm1      2.027 ppm2      7.944 CV     1
 ASSI {  756}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 13   and name HN  ))
      2.800     1.000     1.000 peak   756 spectrum    1 weight  0.10000E+01 volume  0.36756E-02 ppm1      1.783 ppm2      7.944 CV     1
 ASSI {  757}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      2.700     0.900     0.900 peak   757 spectrum    1 weight  0.10000E+01 volume  0.33459E-02 ppm1      8.646 ppm2      7.939 CV     1
 ASSI {  759}
   (( segid "    " and resid 26   and name HA1 ))
   (( segid "    " and resid 27   and name HN  ))
      2.200     0.600     0.600 peak   759 spectrum    1 weight  0.10000E+01 volume  0.75017E-02 ppm1      4.107 ppm2      7.913 CV     1
 ASSI {  760}
   (( segid "    " and resid 26   and name HA2 ))
   (( segid "    " and resid 27   and name HN  ))
      3.500     1.500     1.500 peak   760 spectrum    1 weight  0.10000E+01 volume  0.26350E-02 ppm1      3.514 ppm2      7.913 CV     1
 ASSI {  762}
   (  segid "    " and resid 27   and name HB% )
   (( segid "    " and resid 27   and name HN  ))
      2.500     0.800     0.800 peak   762 spectrum    1 weight  0.10000E+01 volume  0.39125E-02 ppm1      1.159 ppm2      7.907 CV     1
 ASSI {  764}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      2.700     0.900     0.900 peak   764 spectrum    1 weight  0.10000E+01 volume  0.23928E-02 ppm1      5.521 ppm2      7.902 CV     1
 ASSI {  773}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      2.700     0.900     0.900 peak   773 spectrum    1 weight  0.10000E+01 volume  0.32564E-02 ppm1      8.360 ppm2      7.793 CV     1
 ASSI {  775}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      2.700     0.900     0.900 peak   775 spectrum    1 weight  0.10000E+01 volume  0.33544E-02 ppm1      8.692 ppm2      7.788 CV     1
 ASSI {  779}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      2.600     0.800     0.800 peak   779 spectrum    1 weight  0.10000E+01 volume  0.42179E-02 ppm1      5.417 ppm2      7.777 CV     1
 ASSI {  780}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HN  ))
      2.800     1.000     1.000 peak   780 spectrum    1 weight  0.10000E+01 volume  0.30795E-02 ppm1      1.705 ppm2      7.777 CV     1
 OR {  780}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI {  784}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      2.700     0.900     0.900 peak   784 spectrum    1 weight  0.10000E+01 volume  0.26182E-02 ppm1      7.460 ppm2      7.736 CV     1
 ASSI {  785}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      2.600     0.800     0.800 peak   785 spectrum    1 weight  0.10000E+01 volume  0.41579E-02 ppm1      7.299 ppm2      7.736 CV     1
 ASSI {  788}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      2.600     0.900     0.900 peak   788 spectrum    1 weight  0.10000E+01 volume  0.38409E-02 ppm1      3.296 ppm2      7.736 CV     1
 ASSI {  789}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 15   and name HN  ))
      2.400     0.700     0.700 peak   789 spectrum    1 weight  0.10000E+01 volume  0.65317E-02 ppm1      2.136 ppm2      7.736 CV     1
 ASSI {  790}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 15   and name HN  ))
      2.200     0.600     0.600 peak   790 spectrum    1 weight  0.10000E+01 volume  0.91661E-02 ppm1      1.107 ppm2      7.736 CV     1
 ASSI {  791}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 15   and name HN  ))
      3.300     1.400     1.400 peak   791 spectrum    1 weight  0.10000E+01 volume  0.15545E-02 ppm1      2.791 ppm2      7.731 CV     1
 ASSI {  798}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 10   and name HN  ))
      2.900     1.000     1.000 peak   798 spectrum    1 weight  0.10000E+01 volume  0.23686E-02 ppm1      4.263 ppm2      7.663 CV     1
 ASSI {  799}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      2.700     0.900     0.900 peak   799 spectrum    1 weight  0.10000E+01 volume  0.33544E-02 ppm1      3.431 ppm2      7.663 CV     1
 ASSI {  800}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 10   and name HN  ))
      4.000     2.000     2.000 peak   800 spectrum    1 weight  0.10000E+01 volume  0.11511E-02 ppm1      2.937 ppm2      7.663 CV     1
 ASSI {  801}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      2.400     0.700     0.700 peak   801 spectrum    1 weight  0.10000E+01 volume  0.51447E-02 ppm1      8.854 ppm2      7.658 CV     1
 ASSI {  802}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      3.100     1.200     1.200 peak   802 spectrum    1 weight  0.10000E+01 volume  0.20126E-02 ppm1      4.590 ppm2      7.658 CV     1
 ASSI {  806}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      2.900     1.000     1.000 peak   806 spectrum    1 weight  0.10000E+01 volume  0.23781E-02 ppm1      4.824 ppm2      7.611 CV     1
 ASSI {  807}
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 24   and name HN  ))
      3.100     1.200     1.200 peak   807 spectrum    1 weight  0.10000E+01 volume  0.18189E-02 ppm1      4.034 ppm2      7.611 CV     1
 ASSI {  809}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      2.600     0.900     0.900 peak   809 spectrum    1 weight  0.10000E+01 volume  0.39546E-02 ppm1      4.725 ppm2      7.606 CV     1
 ASSI {  810}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      2.300     0.700     0.700 peak   810 spectrum    1 weight  0.10000E+01 volume  0.84118E-02 ppm1      3.623 ppm2      7.606 CV     1
 ASSI {  811}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 24   and name HN  ))
      2.500     0.800     0.800 peak   811 spectrum    1 weight  0.10000E+01 volume  0.41758E-02 ppm1      1.034 ppm2      7.606 CV     1
 ASSI {  812}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      2.700     0.900     0.900 peak   812 spectrum    1 weight  0.10000E+01 volume  0.23180E-02 ppm1      7.944 ppm2      7.601 CV     1
 ASSI {  826}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      2.700     0.900     0.900 peak   826 spectrum    1 weight  0.10000E+01 volume  0.38525E-02 ppm1      3.951 ppm2      7.460 CV     1
 ASSI {  829}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HN  ))
      2.500     0.800     0.800 peak   829 spectrum    1 weight  0.10000E+01 volume  0.56186E-02 ppm1      1.881 ppm2      7.460 CV     1
 OR {  829}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
 ASSI {  834}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      2.600     0.800     0.800 peak   834 spectrum    1 weight  0.10000E+01 volume  0.43369E-02 ppm1      8.490 ppm2      7.382 CV     1
 ASSI {  836}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
      2.900     1.100     1.100 peak   836 spectrum    1 weight  0.10000E+01 volume  0.13364E-02 ppm1      3.374 ppm2      7.382 CV     1
 ASSI {  839}
   (  segid "    " and resid 22   and name HD% )
   (( segid "    " and resid 22   and name HN  ))
      2.600     0.900     0.900 peak   839 spectrum    1 weight  0.10000E+01 volume  0.25455E-02 ppm1      7.221 ppm2      7.377 CV     1
 ASSI {  840}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
      2.900     1.000     1.000 peak   840 spectrum    1 weight  0.10000E+01 volume  0.14186E-02 ppm1      1.497 ppm2      7.377 CV     1
 ASSI {  842}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      3.000     1.100     1.100 peak   842 spectrum    1 weight  0.10000E+01 volume  0.18778E-02 ppm1      4.840 ppm2      7.367 CV     1
 ASSI {  849}
   (( segid "    " and resid 17   and name HB  ))
   (( segid "    " and resid 17   and name HN  ))
      2.400     0.700     0.700 peak   849 spectrum    1 weight  0.10000E+01 volume  0.60073E-02 ppm1      2.131 ppm2      7.304 CV     1
 ASSI {  850}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 17   and name HN  ))
      2.700     0.900     0.900 peak   850 spectrum    1 weight  0.10000E+01 volume  0.31932E-02 ppm1      1.881 ppm2      7.304 CV     1
 OR {  850}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
 ASSI {  851}
   (( segid "    " and resid 17   and name HG12))
   (( segid "    " and resid 17   and name HN  ))
      3.400     1.500     1.500 peak   851 spectrum    1 weight  0.10000E+01 volume  0.31173E-02 ppm1      1.601 ppm2      7.304 CV     1
 ASSI {  853}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      2.600     0.900     0.900 peak   853 spectrum    1 weight  0.10000E+01 volume  0.36756E-02 ppm1      7.944 ppm2      7.299 CV     1
 ASSI {  855}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      2.600     0.800     0.800 peak   855 spectrum    1 weight  0.10000E+01 volume  0.31005E-02 ppm1      7.460 ppm2      7.299 CV     1
 ASSI {  860}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 14   and name HN  ))
      3.300     1.300     1.300 peak   860 spectrum    1 weight  0.10000E+01 volume  0.38409E-02 ppm1      2.796 ppm2      7.299 CV     1
 ASSI {  861}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 14   and name HN  ))
      2.900     1.100     1.100 peak   861 spectrum    1 weight  0.10000E+01 volume  0.16345E-02 ppm1      1.783 ppm2      7.299 CV     1
 ASSI {  862}
   (  segid "    " and resid 17   and name HD1%)
   (( segid "    " and resid 17   and name HN  ))
      3.700     1.700     1.700 peak   862 spectrum    1 weight  0.10000E+01 volume  0.13217E-02 ppm1      0.894 ppm2      7.299 CV     1
 ASSI {  869}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 22   and name HD% )
      2.200     0.600     0.600 peak   869 spectrum    1 weight  0.10000E+01 volume  0.71836E-02 ppm1      4.840 ppm2      7.221 CV     1
 ASSI {  873}
   (( segid "    " and resid 22   and name HB3 ))
   (  segid "    " and resid 22   and name HD% )
      2.100     0.500     0.500 peak   873 spectrum    1 weight  0.10000E+01 volume  0.84587E-02 ppm1      2.760 ppm2      7.221 CV     1
 ASSI {  877}
   (  segid "    " and resid 2    and name HD1%)
   (  segid "    " and resid 22   and name HD% )
      2.500     0.800     0.800 peak   877 spectrum    1 weight  0.10000E+01 volume  0.19294E-02 ppm1      0.368 ppm2      7.221 CV     1
 ASSI {  878}
   (  segid "    " and resid 2    and name HG2%)
   (  segid "    " and resid 22   and name HD% )
      2.700     0.900     0.900 peak   878 spectrum    1 weight  0.10000E+01 volume  0.14713E-02 ppm1      0.327 ppm2      7.221 CV     1
 ASSI {  887}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 25   and name HE  ))
      3.000     1.100     1.100 peak   887 spectrum    1 weight  0.10000E+01 volume  0.17208E-02 ppm1      3.181 ppm2      7.211 CV     1
 OR {  887}
   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 25   and name HE  ))
 ASSI {  889}
   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 21   and name HE  ))
      2.800     1.000     1.000 peak   889 spectrum    1 weight  0.10000E+01 volume  0.15692E-02 ppm1      3.030 ppm2      7.205 CV     1
 ASSI {  890}
   (( segid "    " and resid 21   and name HD3 ))
   (( segid "    " and resid 21   and name HE  ))
      2.700     0.900     0.900 peak   890 spectrum    1 weight  0.10000E+01 volume  0.24971E-02 ppm1      2.874 ppm2      7.205 CV     1
 ASSI {  897}
   (( segid "    " and resid 33   and name HD3 ))
   (( segid "    " and resid 33   and name HE  ))
      3.200     1.200     1.200 peak   897 spectrum    1 weight  0.10000E+01 volume  0.12322E-02 ppm1      3.062 ppm2      7.133 CV     1
 ASSI {  900}
   (( segid "    " and resid 33   and name HD2 ))
   (( segid "    " and resid 33   and name HE  ))
      3.100     1.200     1.200 peak   900 spectrum    1 weight  0.10000E+01 volume  0.12975E-02 ppm1      3.181 ppm2      7.127 CV     1
 ASSI {  911}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 37   and name HD% )
      3.200     3.200     2.800 peak   911 spectrum    1 weight  0.10000E+01 volume  0.10058E-02 ppm1      7.913 ppm2      6.888 CV     1
 ASSI {  915}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 37   and name HD% )
      2.500     0.800     0.800 peak   915 spectrum    1 weight  0.10000E+01 volume  0.34428E-02 ppm1      4.850 ppm2      6.888 CV     1
 ASSI {  916}
   (( segid "    " and resid 26   and name HA2 ))
   (  segid "    " and resid 37   and name HD% )
      3.000     3.000     3.000 peak   916 spectrum    1 weight  0.10000E+01 volume  0.10900E-02 ppm1      3.498 ppm2      6.888 CV     1
 ASSI {  917}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 37   and name HD% )
      2.100     0.500     0.500 peak   917 spectrum    1 weight  0.10000E+01 volume  0.80409E-02 ppm1      2.947 ppm2      6.888 CV     1
 ASSI {  918}
   (( segid "    " and resid 37   and name HB3 ))
   (  segid "    " and resid 37   and name HD% )
      2.200     0.600     0.600 peak   918 spectrum    1 weight  0.10000E+01 volume  0.66760E-02 ppm1      2.531 ppm2      6.888 CV     1
 ASSI {  919}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 37   and name HD% )
      3.000     1.100     1.100 peak   919 spectrum    1 weight  0.10000E+01 volume  0.11227E-02 ppm1      9.030 ppm2      6.883 CV     1
 ASSI {  922}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 37   and name HD% )
      2.400     0.700     0.700 peak   922 spectrum    1 weight  0.10000E+01 volume  0.33290E-02 ppm1      5.526 ppm2      6.883 CV     1
 ASSI {  949}
   (( segid "    " and resid 21   and name HD3 ))
   (  segid "    " and resid 22   and name HE% )
      2.700     0.900     0.900 peak   949 spectrum    1 weight  0.10000E+01 volume  0.12459E-02 ppm1      2.880 ppm2      6.602 CV     1
 ASSI {  950}
   (  segid "    " and resid 4    and name HG2%)
   (  segid "    " and resid 22   and name HE% )
      2.200     0.600     0.600 peak   950 spectrum    1 weight  0.10000E+01 volume  0.53385E-02 ppm1      1.154 ppm2      6.602 CV     1
 ASSI {  952}
   (  segid "    " and resid 2    and name HD1%)
   (  segid "    " and resid 22   and name HE% )
      2.900     1.100     1.100 peak   952 spectrum    1 weight  0.10000E+01 volume  0.14460E-02 ppm1      0.374 ppm2      6.602 CV     1
 ASSI {  953}
   (  segid "    " and resid 2    and name HG2%)
   (  segid "    " and resid 22   and name HE% )
      2.300     0.700     0.700 peak   953 spectrum    1 weight  0.10000E+01 volume  0.30837E-02 ppm1      0.327 ppm2      6.602 CV     1
 ASSI {  959}
   (( segid "    " and resid 1    and name HG2 ))
   (  segid "    " and resid 37   and name HE% )
      3.000     1.100     1.100 peak   959 spectrum    1 weight  0.10000E+01 volume  0.12943E-02 ppm1      2.349 ppm2      6.576 CV     1
 OR {  959}
   (( segid "    " and resid 1    and name HG3 ))
   (  segid "    " and resid 37   and name HE% )
 ASSI {  961}
   (( segid "    " and resid 28   and name HG2 ))
   (  segid "    " and resid 37   and name HE% )
      3.100     1.200     1.200 peak   961 spectrum    1 weight  0.10000E+01 volume  0.21895E-02 ppm1      1.372 ppm2      6.571 CV     1
 OR {  961}
   (( segid "    " and resid 28   and name HG3 ))
   (  segid "    " and resid 37   and name HE% )
 ASSI {  966}
   (( segid "    " and resid 35   and name HB  ))
   (  segid "    " and resid 37   and name HE% )
      2.500     0.800     0.800 peak   966 spectrum    1 weight  0.10000E+01 volume  0.25181E-02 ppm1      3.883 ppm2      6.566 CV     1
 ASSI {  967}
   (( segid "    " and resid 1    and name HB2 ))
   (  segid "    " and resid 37   and name HE% )
      2.800     2.800     3.200 peak   967 spectrum    1 weight  0.10000E+01 volume  0.14291E-02 ppm1      1.918 ppm2      6.566 CV     1
 ASSI {  968}
   (( segid "    " and resid 28   and name HB3 ))
   (  segid "    " and resid 37   and name HE% )
      2.200     0.600     0.600 peak   968 spectrum    1 weight  0.10000E+01 volume  0.56355E-02 ppm1      1.777 ppm2      6.566 CV     1
 OR {  968}
   (( segid "    " and resid 28   and name HB2 ))
   (  segid "    " and resid 37   and name HE% )
 ASSI {  969}
   (  segid "    " and resid 35   and name HG2%)
   (  segid "    " and resid 37   and name HE% )
      2.500     0.800     0.800 peak   969 spectrum    1 weight  0.10000E+01 volume  0.30795E-02 ppm1      0.784 ppm2      6.566 CV     1
 ASSI { 1040}
   (  segid "    " and resid 37   and name HD% )
   (( segid "    " and resid 36   and name HA  ))
      3.000     1.100     1.100 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.14713E-02 ppm1      6.883 ppm2      5.635 CV     1
 ASSI { 1042}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 36   and name HA  ))
      2.500     0.800     0.800 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.32606E-02 ppm1      5.521 ppm2      5.635 CV     1
 ASSI { 1043}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HA  ))
      2.700     0.900     0.900 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.36334E-02 ppm1      2.968 ppm2      5.635 CV     1
 ASSI { 1047}
   (( segid "    " and resid 36   and name HB3 ))
   (( segid "    " and resid 36   and name HA  ))
      2.800     1.000     1.000 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.16050E-02 ppm1      2.022 ppm2      5.620 CV     1
 ASSI { 1115}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      2.800     1.000     1.000 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.28383E-02 ppm1      9.503 ppm2      5.157 CV     1
 ASSI { 1122}
   (  segid "    " and resid 35   and name HG2%)
   (( segid "    " and resid 35   and name HA  ))
      2.500     0.800     0.800 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.44328E-02 ppm1      0.784 ppm2      5.157 CV     1
 ASSI { 1123}
   (( segid "    " and resid 35   and name HB  ))
   (( segid "    " and resid 35   and name HA  ))
      2.800     1.000     1.000 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.28719E-02 ppm1      3.883 ppm2      5.152 CV     1
 ASSI { 1135}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 34   and name HA  ))
      2.500     0.800     0.800 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.44443E-02 ppm1      2.604 ppm2      5.089 CV     1
 ASSI { 2683}
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 38   and name HA  ))
      3.400     1.500     1.500 peak  2683 spectrum    1 weight  0.10000E+01 volume  0.14776E-02 ppm1      4.029 ppm2      4.382 CV     1
 ASSI { 2696}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HA  ))
      2.900     1.100     1.100 peak  2696 spectrum    1 weight  0.10000E+01 volume  0.20400E-02 ppm1      3.060 ppm2      4.356 CV     1
 ASSI { 2697}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 31   and name HA  ))
      3.400     1.400     1.400 peak  2697 spectrum    1 weight  0.10000E+01 volume  0.11721E-02 ppm1      2.770 ppm2      4.356 CV     1
 ASSI { 2736}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 10   and name HA1 ))
      3.700     1.700     1.700 peak  2736 spectrum    1 weight  0.10000E+01 volume  0.11301E-02 ppm1      8.640 ppm2      4.263 CV     1
 ASSI { 2738}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HA1 ))
      2.500     0.800     0.800 peak  2738 spectrum    1 weight  0.10000E+01 volume  0.59820E-02 ppm1      8.802 ppm2      4.257 CV     1
 ASSI { 2754}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HA2 ))
      2.500     0.800     0.800 peak  2754 spectrum    1 weight  0.10000E+01 volume  0.69635E-02 ppm1      8.802 ppm2      4.205 CV     1
 ASSI { 2756}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HA2 ))
      2.700     0.900     0.900 peak  2756 spectrum    1 weight  0.10000E+01 volume  0.30921E-02 ppm1      7.658 ppm2      4.205 CV     1
 ASSI { 2772}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      3.500     1.600     1.600 peak  2772 spectrum    1 weight  0.10000E+01 volume  0.10132E-02 ppm1      7.387 ppm2      4.169 CV     1
 ASSI { 2777}
   (( segid "    " and resid 17   and name HG13))
   (( segid "    " and resid 21   and name HA  ))
      3.700     1.700     1.700 peak  2777 spectrum    1 weight  0.10000E+01 volume  0.15776E-02 ppm1      1.543 ppm2      4.169 CV     1
 ASSI { 2779}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 21   and name HA  ))
      2.700     0.900     0.900 peak  2779 spectrum    1 weight  0.10000E+01 volume  0.27698E-02 ppm1      1.315 ppm2      4.164 CV     1
 ASSI { 2780}
   (( segid "    " and resid 21   and name HG3 ))
   (( segid "    " and resid 21   and name HA  ))
      2.600     0.900     0.900 peak  2780 spectrum    1 weight  0.10000E+01 volume  0.47740E-02 ppm1      1.013 ppm2      4.164 CV     1
 ASSI { 2786}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 12   and name HA  ))
      3.000     1.100     1.100 peak  2786 spectrum    1 weight  0.10000E+01 volume  0.21537E-02 ppm1      2.136 ppm2      4.159 CV     1
 ASSI { 2787}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 12   and name HA  ))
      2.400     0.700     0.700 peak  2787 spectrum    1 weight  0.10000E+01 volume  0.60746E-02 ppm1      1.107 ppm2      4.159 CV     1
 ASSI { 2803}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HA  ))
      2.600     0.800     0.800 peak  2803 spectrum    1 weight  0.10000E+01 volume  0.43137E-02 ppm1      2.032 ppm2      4.138 CV     1
 ASSI { 2804}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 13   and name HA  ))
      2.800     1.000     1.000 peak  2804 spectrum    1 weight  0.10000E+01 volume  0.34765E-02 ppm1      1.783 ppm2      4.138 CV     1
 ASSI { 2834}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HA1 ))
      3.100     1.200     1.200 peak  2834 spectrum    1 weight  0.10000E+01 volume  0.21148E-02 ppm1      7.783 ppm2      4.065 CV     1
 ASSI { 2842}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      2.500     0.800     0.800 peak  2842 spectrum    1 weight  0.10000E+01 volume  0.49299E-02 ppm1      8.802 ppm2      4.039 CV     1
 ASSI { 2843}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.200     1.300     1.300 peak  2843 spectrum    1 weight  0.10000E+01 volume  0.14692E-02 ppm1      8.646 ppm2      4.039 CV     1
 ASSI { 2847}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 11   and name HA  ))
      2.800     1.000     1.000 peak  2847 spectrum    1 weight  0.10000E+01 volume  0.57787E-02 ppm1      2.620 ppm2      4.039 CV     1
 ASSI { 2849}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 11   and name HA  ))
      3.000     1.100     1.100 peak  2849 spectrum    1 weight  0.10000E+01 volume  0.21980E-02 ppm1      4.564 ppm2      4.034 CV     1
 ASSI { 2861}
   (( segid "    " and resid 2    and name HG12))
   (( segid "    " and resid 2    and name HA  ))
      3.000     1.100     1.100 peak  2861 spectrum    1 weight  0.10000E+01 volume  0.16471E-02 ppm1      1.081 ppm2      4.003 CV     1
 ASSI { 2862}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 2    and name HA  ))
      3.700     1.700     1.700 peak  2862 spectrum    1 weight  0.10000E+01 volume  0.10331E-02 ppm1      0.368 ppm2      3.992 CV     1
 ASSI { 2867}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HA2 ))
      3.100     1.200     1.200 peak  2867 spectrum    1 weight  0.10000E+01 volume  0.20337E-02 ppm1      7.783 ppm2      3.977 CV     1
 ASSI { 2874}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 32   and name HA2 ))
      3.400     1.400     1.400 peak  2874 spectrum    1 weight  0.10000E+01 volume  0.14123E-02 ppm1      4.341 ppm2      3.972 CV     1
 ASSI { 2875}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 11   and name HB2 ))
      3.400     1.400     1.400 peak  2875 spectrum    1 weight  0.10000E+01 volume  0.15840E-02 ppm1      2.620 ppm2      3.972 CV     1
 OR { 2875}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 11   and name HB3 ))
 ASSI { 2876}
   (( segid "    " and resid 2    and name HG13))
   (( segid "    " and resid 2    and name HA  ))
      2.800     1.000     1.000 peak  2876 spectrum    1 weight  0.10000E+01 volume  0.27361E-02 ppm1      0.774 ppm2      3.972 CV     1
 ASSI { 2888}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.700     0.900     0.900 peak  2888 spectrum    1 weight  0.10000E+01 volume  0.37503E-02 ppm1      4.564 ppm2      3.956 CV     1
 OR { 2888}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 11   and name HB3 ))
 ASSI { 2890}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 32   and name HA2 ))
      3.600     1.600     1.600 peak  2890 spectrum    1 weight  0.10000E+01 volume  0.10447E-02 ppm1      8.703 ppm2      3.951 CV     1
 ASSI { 2895}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HA  ))
      3.300     1.400     1.400 peak  2895 spectrum    1 weight  0.10000E+01 volume  0.13091E-02 ppm1      1.507 ppm2      3.951 CV     1
 ASSI { 2906}
   (( segid "    " and resid 17   and name HB  ))
   (( segid "    " and resid 17   and name HA  ))
      2.600     0.800     0.800 peak  2906 spectrum    1 weight  0.10000E+01 volume  0.38767E-02 ppm1      2.136 ppm2      3.946 CV     1
 ASSI { 2911}
   (( segid "    " and resid 17   and name HG12))
   (( segid "    " and resid 17   and name HA  ))
      3.700     1.700     1.700 peak  2911 spectrum    1 weight  0.10000E+01 volume  0.11911E-02 ppm1      1.580 ppm2      3.940 CV     1
 ASSI { 2913}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 17   and name HA  ))
      3.300     1.300     1.300 peak  2913 spectrum    1 weight  0.10000E+01 volume  0.11933E-02 ppm1      3.020 ppm2      3.930 CV     1
 ASSI { 2914}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB2 ))
      2.500     0.800     0.800 peak  2914 spectrum    1 weight  0.10000E+01 volume  0.60746E-02 ppm1      4.595 ppm2      3.920 CV     1
 ASSI { 2934}
   (( segid "    " and resid 6    and name HB  ))
   (( segid "    " and resid 6    and name HA  ))
      3.100     1.200     1.200 peak  2934 spectrum    1 weight  0.10000E+01 volume  0.16998E-02 ppm1      1.762 ppm2      3.847 CV     1
 ASSI { 2940}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB3 ))
      2.700     0.900     0.900 peak  2940 spectrum    1 weight  0.10000E+01 volume  0.42948E-02 ppm1      4.595 ppm2      3.831 CV     1
 ASSI { 2954}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 38   and name HD2 ))
      2.900     1.000     1.000 peak  2954 spectrum    1 weight  0.10000E+01 volume  0.26940E-02 ppm1      4.855 ppm2      3.764 CV     1
 ASSI { 2983}
   (( segid "    " and resid 19   and name HG12))
   (( segid "    " and resid 19   and name HA  ))
      2.900     1.100     1.100 peak  2983 spectrum    1 weight  0.10000E+01 volume  0.19378E-02 ppm1      0.805 ppm2      3.634 CV     1
 OR { 2983}
   (( segid "    " and resid 19   and name HG13))
   (( segid "    " and resid 19   and name HA  ))
 ASSI { 2987}
   (  segid "    " and resid 17   and name HD1%)
   (( segid "    " and resid 19   and name HA  ))
      3.100     3.100     2.900 peak  2987 spectrum    1 weight  0.10000E+01 volume  0.29267E-02 ppm1      0.888 ppm2      3.628 CV     1
 ASSI { 2991}
   (( segid "    " and resid 19   and name HB  ))
   (( segid "    " and resid 19   and name HA  ))
      2.800     1.000     1.000 peak  2991 spectrum    1 weight  0.10000E+01 volume  0.29352E-02 ppm1      1.814 ppm2      3.618 CV     1
 ASSI { 3012}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 26   and name HA2 ))
      3.200     1.300     1.300 peak  3012 spectrum    1 weight  0.10000E+01 volume  0.10047E-02 ppm1      8.542 ppm2      3.519 CV     1
 ASSI { 3044}
   (( segid "    " and resid 38   and name HG3 ))
   (( segid "    " and resid 38   and name HD3 ))
      2.500     0.800     0.800 peak  3044 spectrum    1 weight  0.10000E+01 volume  0.26729E-02 ppm1      1.819 ppm2      3.394 CV     1
 ASSI { 3073}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.300     1.300     1.300 peak  3073 spectrum    1 weight  0.10000E+01 volume  0.10047E-02 ppm1      7.455 ppm2      3.311 CV     1
 ASSI { 3091}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 15   and name HA  ))
      2.500     0.800     0.800 peak  3091 spectrum    1 weight  0.10000E+01 volume  0.44443E-02 ppm1      2.131 ppm2      3.285 CV     1
 ASSI { 3105}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB2 ))
      2.300     0.700     0.700 peak  3105 spectrum    1 weight  0.10000E+01 volume  0.87820E-02 ppm1      4.725 ppm2      3.218 CV     1
 ASSI { 3118}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HD2 ))
      3.500     1.600     1.600 peak  3118 spectrum    1 weight  0.10000E+01 volume  0.15049E-02 ppm1      5.422 ppm2      3.181 CV     1
 ASSI { 3145}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HD3 ))
      3.600     1.600     1.600 peak  3145 spectrum    1 weight  0.10000E+01 volume  0.13006E-02 ppm1      5.406 ppm2      3.062 CV     1
 ASSI { 3150}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HD2 ))
      3.700     1.700     1.700 peak  3150 spectrum    1 weight  0.10000E+01 volume  0.12259E-02 ppm1      8.297 ppm2      3.046 CV     1
 ASSI { 3182}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 14   and name HB2 ))
      3.100     1.200     1.200 peak  3182 spectrum    1 weight  0.10000E+01 volume  0.30026E-02 ppm1      3.212 ppm2      2.984 CV     1
 ASSI { 3187}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      3.200     1.300     1.300 peak  3187 spectrum    1 weight  0.10000E+01 volume  0.12564E-02 ppm1      7.731 ppm2      2.968 CV     1
 ASSI { 3188}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      2.700     0.900     0.900 peak  3188 spectrum    1 weight  0.10000E+01 volume  0.26392E-02 ppm1      7.299 ppm2      2.968 CV     1
 ASSI { 3197}
   (( segid "    " and resid 38   and name HD2 ))
   (( segid "    " and resid 36   and name HB2 ))
      3.800     1.800     1.800 peak  3197 spectrum    1 weight  0.10000E+01 volume  0.12648E-02 ppm1      3.758 ppm2      2.963 CV     1
 ASSI { 3201}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HB2 ))
      2.700     0.900     0.900 peak  3201 spectrum    1 weight  0.10000E+01 volume  0.38767E-02 ppm1      8.796 ppm2      2.958 CV     1
 ASSI { 3203}
   (  segid "    " and resid 22   and name HD% )
   (( segid "    " and resid 36   and name HB2 ))
      3.200     3.200     2.800 peak  3203 spectrum    1 weight  0.10000E+01 volume  0.13217E-02 ppm1      7.221 ppm2      2.958 CV     1
 ASSI { 3231}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB2 ))
      3.000     1.100     1.100 peak  3231 spectrum    1 weight  0.10000E+01 volume  0.18451E-02 ppm1      5.079 ppm2      2.921 CV     1
 ASSI { 3237}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HB3 ))
      2.800     1.000     1.000 peak  3237 spectrum    1 weight  0.10000E+01 volume  0.41273E-02 ppm1      8.302 ppm2      2.916 CV     1
 ASSI { 3302}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB2 ))
      2.700     0.900     0.900 peak  3302 spectrum    1 weight  0.10000E+01 volume  0.26855E-02 ppm1      4.917 ppm2      2.832 CV     1
 ASSI { 3303}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 29   and name HB2 ))
      2.600     0.900     0.900 peak  3303 spectrum    1 weight  0.10000E+01 volume  0.33670E-02 ppm1      4.034 ppm2      2.822 CV     1
 ASSI { 3324}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 14   and name HB3 ))
      3.400     1.400     1.400 peak  3324 spectrum    1 weight  0.10000E+01 volume  0.21895E-02 ppm1      4.039 ppm2      2.786 CV     1
 ASSI { 3342}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB3 ))
      2.900     1.100     1.100 peak  3342 spectrum    1 weight  0.10000E+01 volume  0.17714E-02 ppm1      4.845 ppm2      2.760 CV     1
 ASSI { 3350}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 28   and name HE2 ))
      3.500     1.500     1.500 peak  3350 spectrum    1 weight  0.10000E+01 volume  0.13238E-02 ppm1      2.848 ppm2      2.750 CV     1
 OR { 3350}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 28   and name HE3 ))
 ASSI { 3353}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 28   and name HE3 ))
      2.800     1.000     1.000 peak  3353 spectrum    1 weight  0.10000E+01 volume  0.26603E-02 ppm1      4.346 ppm2      2.739 CV     1
 OR { 3353}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 28   and name HE2 ))
 ASSI { 3356}
   (( segid "    " and resid 28   and name HD2 ))
   (( segid "    " and resid 28   and name HE3 ))
      3.200     1.200     1.200 peak  3356 spectrum    1 weight  0.10000E+01 volume  0.13091E-02 ppm1      1.658 ppm2      2.734 CV     1
 OR { 3356}
   (( segid "    " and resid 28   and name HD2 ))
   (( segid "    " and resid 28   and name HE2 ))
 ASSI { 3369}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 23   and name HB3 ))
      3.500     1.500     1.500 peak  3369 spectrum    1 weight  0.10000E+01 volume  0.10552E-02 ppm1      2.744 ppm2      2.646 CV     1
 ASSI { 3419}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HB3 ))
      2.900     1.000     1.000 peak  3419 spectrum    1 weight  0.10000E+01 volume  0.18146E-02 ppm1      4.850 ppm2      2.531 CV     1
 ASSI { 3421}
   (( segid "    " and resid 26   and name HA2 ))
   (( segid "    " and resid 37   and name HB3 ))
      3.200     1.300     1.300 peak  3421 spectrum    1 weight  0.10000E+01 volume  0.27698E-02 ppm1      3.514 ppm2      2.531 CV     1
 ASSI { 3457}
   (( segid "    " and resid 1    and name HB2 ))
   (( segid "    " and resid 1    and name HG2 ))
      2.600     0.800     0.800 peak  3457 spectrum    1 weight  0.10000E+01 volume  0.39009E-02 ppm1      1.923 ppm2      2.360 CV     1
 OR { 3457}
   (( segid "    " and resid 1    and name HB2 ))
   (( segid "    " and resid 1    and name HG3 ))
 ASSI { 3464}
   (( segid "    " and resid 38   and name HD2 ))
   (( segid "    " and resid 38   and name HB2 ))
      3.200     1.300     1.300 peak  3464 spectrum    1 weight  0.10000E+01 volume  0.11616E-02 ppm1      3.769 ppm2      2.339 CV     1
 ASSI { 3469}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB2 ))
      2.800     1.000     1.000 peak  3469 spectrum    1 weight  0.10000E+01 volume  0.46002E-02 ppm1      4.377 ppm2      2.334 CV     1
 ASSI { 3472}
   (( segid "    " and resid 38   and name HD3 ))
   (( segid "    " and resid 38   and name HB2 ))
      3.700     1.700     1.700 peak  3472 spectrum    1 weight  0.10000E+01 volume  0.14334E-02 ppm1      3.384 ppm2      2.323 CV     1
 ASSI { 3475}
   (( segid "    " and resid 38   and name HB3 ))
   (( segid "    " and resid 38   and name HB2 ))
      2.000     0.500     0.500 peak  3475 spectrum    1 weight  0.10000E+01 volume  0.88304E-02 ppm1      2.084 ppm2      2.323 CV     1
 ASSI { 3517}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 17   and name HB  ))
      3.300     1.300     1.300 peak  3517 spectrum    1 weight  0.10000E+01 volume  0.28299E-02 ppm1      4.554 ppm2      2.131 CV     1
 ASSI { 3534}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 38   and name HB3 ))
      3.000     3.000     3.000 peak  3534 spectrum    1 weight  0.10000E+01 volume  0.18483E-02 ppm1      3.181 ppm2      2.079 CV     1
 OR { 3534}
   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 38   and name HB3 ))
 ASSI { 3537}
   (( segid "    " and resid 38   and name HD2 ))
   (( segid "    " and resid 38   and name HB3 ))
      3.200     1.300     1.300 peak  3537 spectrum    1 weight  0.10000E+01 volume  0.32648E-02 ppm1      3.758 ppm2      2.074 CV     1
 ASSI { 3540}
   (( segid "    " and resid 38   and name HD3 ))
   (( segid "    " and resid 38   and name HB3 ))
      3.400     1.400     1.400 peak  3540 spectrum    1 weight  0.10000E+01 volume  0.21864E-02 ppm1      3.384 ppm2      2.069 CV     1
 ASSI { 3546}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 38   and name HG2 ))
      3.600     1.600     1.600 peak  3546 spectrum    1 weight  0.10000E+01 volume  0.21980E-02 ppm1      5.635 ppm2      2.053 CV     1
 ASSI { 3549}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 38   and name HG2 ))
      2.800     0.900     0.900 peak  3549 spectrum    1 weight  0.10000E+01 volume  0.18725E-02 ppm1      2.323 ppm2      2.053 CV     1
 ASSI { 3556}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB3 ))
      3.300     1.400     1.400 peak  3556 spectrum    1 weight  0.10000E+01 volume  0.10237E-02 ppm1      8.521 ppm2      2.037 CV     1
 ASSI { 3610}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
      2.700     0.900     0.900 peak  3610 spectrum    1 weight  0.10000E+01 volume  0.34807E-02 ppm1      4.325 ppm2      1.892 CV     1
 ASSI { 3612}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 25   and name HB2 ))
      3.200     1.300     1.300 peak  3612 spectrum    1 weight  0.10000E+01 volume  0.16471E-02 ppm1      3.181 ppm2      1.892 CV     1
 OR { 3612}
   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 25   and name HB2 ))
 ASSI { 3614}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.400     0.700     0.700 peak  3614 spectrum    1 weight  0.10000E+01 volume  0.63632E-02 ppm1      3.951 ppm2      1.887 CV     1
 OR { 3614}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB3 ))
 ASSI { 3632}
   (( segid "    " and resid 38   and name HD2 ))
   (( segid "    " and resid 38   and name HG3 ))
      3.300     1.400     1.400 peak  3632 spectrum    1 weight  0.10000E+01 volume  0.19684E-02 ppm1      3.758 ppm2      1.835 CV     1
 ASSI { 3638}
   (( segid "    " and resid 19   and name HG13))
   (( segid "    " and resid 19   and name HB  ))
      2.300     0.700     0.700 peak  3638 spectrum    1 weight  0.10000E+01 volume  0.79925E-02 ppm1      0.795 ppm2      1.829 CV     1
 OR { 3638}
   (( segid "    " and resid 19   and name HG12))
   (( segid "    " and resid 19   and name HB  ))
 ASSI { 3640}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB  ))
      2.600     0.800     0.800 peak  3640 spectrum    1 weight  0.10000E+01 volume  0.38525E-02 ppm1      4.325 ppm2      1.824 CV     1
 ASSI { 3651}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 38   and name HG3 ))
      3.200     1.300     1.300 peak  3651 spectrum    1 weight  0.10000E+01 volume  0.25181E-02 ppm1      2.329 ppm2      1.814 CV     1
 ASSI { 3652}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 38   and name HG3 ))
      3.400     1.500     1.500 peak  3652 spectrum    1 weight  0.10000E+01 volume  0.13491E-02 ppm1      8.505 ppm2      1.809 CV     1
 ASSI { 3654}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HB2 ))
      2.800     1.000     1.000 peak  3654 spectrum    1 weight  0.10000E+01 volume  0.33290E-02 ppm1      4.757 ppm2      1.809 CV     1
 ASSI { 3671}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB2 ))
      2.500     0.800     0.800 peak  3671 spectrum    1 weight  0.10000E+01 volume  0.45171E-02 ppm1      4.569 ppm2      1.777 CV     1
 OR { 3671}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB3 ))
 ASSI { 3675}
   (( segid "    " and resid 33   and name HD2 ))
   (( segid "    " and resid 6    and name HB  ))
      3.400     1.400     1.400 peak  3675 spectrum    1 weight  0.10000E+01 volume  0.14144E-02 ppm1      3.192 ppm2      1.772 CV     1
 ASSI { 3687}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 1    and name HB3 ))
      3.000     1.100     1.100 peak  3687 spectrum    1 weight  0.10000E+01 volume  0.28973E-02 ppm1      3.966 ppm2      1.741 CV     1
 ASSI { 3691}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 33   and name HB3 ))
      2.800     1.000     1.000 peak  3691 spectrum    1 weight  0.10000E+01 volume  0.28341E-02 ppm1      8.453 ppm2      1.731 CV     1
 OR { 3691}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
 ASSI { 3694}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 33   and name HB3 ))
      3.400     1.500     1.500 peak  3694 spectrum    1 weight  0.10000E+01 volume  0.12396E-02 ppm1      3.857 ppm2      1.731 CV     1
 OR { 3694}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 33   and name HB2 ))
 ASSI { 3697}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      3.800     1.800     1.800 peak  3697 spectrum    1 weight  0.10000E+01 volume  0.14481E-02 ppm1      8.188 ppm2      1.725 CV     1
 OR { 3697}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 33   and name HB3 ))
 ASSI { 3701}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB3 ))
      2.600     0.800     0.800 peak  3701 spectrum    1 weight  0.10000E+01 volume  0.37324E-02 ppm1      5.422 ppm2      1.720 CV     1
 OR { 3701}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB2 ))
 ASSI { 3703}
   (( segid "    " and resid 1    and name HG3 ))
   (( segid "    " and resid 1    and name HB3 ))
      3.000     1.100     1.100 peak  3703 spectrum    1 weight  0.10000E+01 volume  0.18989E-02 ppm1      2.339 ppm2      1.720 CV     1
 OR { 3703}
   (( segid "    " and resid 1    and name HG2 ))
   (( segid "    " and resid 1    and name HB3 ))
 ASSI { 3704}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HB3 ))
      3.000     1.100     1.100 peak  3704 spectrum    1 weight  0.10000E+01 volume  0.20305E-02 ppm1      8.791 ppm2      1.715 CV     1
 OR { 3704}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
 ASSI { 3723}
   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 25   and name HB3 ))
      2.800     1.000     1.000 peak  3723 spectrum    1 weight  0.10000E+01 volume  0.34133E-02 ppm1      3.181 ppm2      1.679 CV     1
 OR { 3723}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 25   and name HB3 ))
 ASSI { 3725}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB3 ))
      3.000     1.100     1.100 peak  3725 spectrum    1 weight  0.10000E+01 volume  0.19052E-02 ppm1      8.115 ppm2      1.673 CV     1
 ASSI { 3731}
   (( segid "    " and resid 30   and name HB  ))
   (( segid "    " and resid 28   and name HD2 ))
      3.300     1.400     1.400 peak  3731 spectrum    1 weight  0.10000E+01 volume  0.13323E-02 ppm1      1.829 ppm2      1.653 CV     1
 ASSI { 3741}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 25   and name HG2 ))
      2.900     1.000     1.000 peak  3741 spectrum    1 weight  0.10000E+01 volume  0.20252E-02 ppm1      3.166 ppm2      1.616 CV     1
 OR { 3741}
   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 25   and name HG2 ))
 ASSI { 3744}
   (( segid "    " and resid 17   and name HB  ))
   (( segid "    " and resid 17   and name HG12))
      2.600     0.800     0.800 peak  3744 spectrum    1 weight  0.10000E+01 volume  0.30542E-02 ppm1      2.131 ppm2      1.611 CV     1
 ASSI { 3748}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HG2 ))
      3.100     1.200     1.200 peak  3748 spectrum    1 weight  0.10000E+01 volume  0.15671E-02 ppm1      4.757 ppm2      1.601 CV     1
 ASSI { 3750}
   (( segid "    " and resid 28   and name HE3 ))
   (( segid "    " and resid 28   and name HD3 ))
      2.900     1.000     1.000 peak  3750 spectrum    1 weight  0.10000E+01 volume  0.19441E-02 ppm1      2.744 ppm2      1.601 CV     1
 OR { 3750}
   (( segid "    " and resid 28   and name HE2 ))
   (( segid "    " and resid 28   and name HD3 ))
 ASSI { 3762}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HG3 ))
      3.300     1.300     1.300 peak  3762 spectrum    1 weight  0.10000E+01 volume  0.14039E-02 ppm1      8.115 ppm2      1.569 CV     1
 ASSI { 3767}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HG3 ))
      2.600     0.900     0.900 peak  3767 spectrum    1 weight  0.10000E+01 volume  0.41400E-02 ppm1      1.887 ppm2      1.564 CV     1
 ASSI { 3769}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HG3 ))
      3.300     1.400     1.400 peak  3769 spectrum    1 weight  0.10000E+01 volume  0.19441E-02 ppm1      4.320 ppm2      1.554 CV     1
 ASSI { 3787}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HB2 ))
      3.000     1.100     1.100 peak  3787 spectrum    1 weight  0.10000E+01 volume  0.24739E-02 ppm1      4.159 ppm2      1.502 CV     1
 ASSI { 3792}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HG2 ))
      2.600     0.900     0.900 peak  3792 spectrum    1 weight  0.10000E+01 volume  0.36544E-02 ppm1      1.876 ppm2      1.491 CV     1
 OR { 3792}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HG2 ))
 ASSI { 3798}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 21   and name HB2 ))
      2.700     0.900     0.900 peak  3798 spectrum    1 weight  0.10000E+01 volume  0.54827E-02 ppm1      1.304 ppm2      1.486 CV     1
 ASSI { 3802}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HG2 ))
      3.500     1.500     1.500 peak  3802 spectrum    1 weight  0.10000E+01 volume  0.12870E-02 ppm1      5.422 ppm2      1.476 CV     1
 OR { 3802}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HG3 ))
 ASSI { 3805}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HG3 ))
      3.200     1.300     1.300 peak  3805 spectrum    1 weight  0.10000E+01 volume  0.10985E-02 ppm1      7.788 ppm2      1.471 CV     1
 OR { 3805}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HG2 ))
 ASSI { 3810}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HG2 ))
      3.100     1.200     1.200 peak  3810 spectrum    1 weight  0.10000E+01 volume  0.16766E-02 ppm1      2.027 ppm2      1.465 CV     1
 ASSI { 3816}
   (  segid "    " and resid 30   and name HG2%)
   (( segid "    " and resid 33   and name HG2 ))
      2.800     1.000     1.000 peak  3816 spectrum    1 weight  0.10000E+01 volume  0.31131E-02 ppm1      0.868 ppm2      1.455 CV     1
 OR { 3816}
   (  segid "    " and resid 30   and name HG2%)
   (( segid "    " and resid 33   and name HG3 ))
 ASSI { 3820}
   (( segid "    " and resid 30   and name HG13))
   (( segid "    " and resid 30   and name HG12))
      2.200     0.600     0.600 peak  3820 spectrum    1 weight  0.10000E+01 volume  0.58293E-02 ppm1      1.055 ppm2      1.450 CV     1
 ASSI { 3822}
   (( segid "    " and resid 30   and name HB  ))
   (( segid "    " and resid 30   and name HG12))
      2.600     0.900     0.900 peak  3822 spectrum    1 weight  0.10000E+01 volume  0.30279E-02 ppm1      1.840 ppm2      1.445 CV     1
 ASSI { 3835}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HG3 ))
      3.200     1.300     1.300 peak  3835 spectrum    1 weight  0.10000E+01 volume  0.13933E-02 ppm1      4.143 ppm2      1.393 CV     1
 ASSI { 3841}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HG3 ))
      2.500     0.800     0.800 peak  3841 spectrum    1 weight  0.10000E+01 volume  0.45760E-02 ppm1      1.871 ppm2      1.382 CV     1
 OR { 3841}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HG3 ))
 ASSI { 3842}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HG3 ))
      3.000     1.100     1.100 peak  3842 spectrum    1 weight  0.10000E+01 volume  0.19441E-02 ppm1      4.751 ppm2      1.377 CV     1
 ASSI { 3843}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HG2 ))
      2.900     1.000     1.000 peak  3843 spectrum    1 weight  0.10000E+01 volume  0.23654E-02 ppm1      4.564 ppm2      1.372 CV     1
 OR { 3843}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HG3 ))
 ASSI { 3854}
   (( segid "    " and resid 17   and name HG13))
   (( segid "    " and resid 21   and name HG2 ))
      2.600     0.900     0.900 peak  3854 spectrum    1 weight  0.10000E+01 volume  0.77290E-02 ppm1      1.549 ppm2      1.320 CV     1
 ASSI { 3880}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 27   and name HB% )
      3.000     1.200     1.200 peak  3880 spectrum    1 weight  0.10000E+01 volume  0.15903E-02 ppm1      7.731 ppm2      1.159 CV     1
 ASSI { 3882}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 27   and name HB% )
      2.200     0.600     0.600 peak  3882 spectrum    1 weight  0.10000E+01 volume  0.79210E-02 ppm1      5.521 ppm2      1.159 CV     1
 ASSI { 3888}
   (( segid "    " and resid 18   and name HB2 ))
   (  segid "    " and resid 27   and name HB% )
      2.700     0.900     0.900 peak  3888 spectrum    1 weight  0.10000E+01 volume  0.24760E-02 ppm1      3.197 ppm2      1.159 CV     1
 ASSI { 3891}
   (( segid "    " and resid 14   and name HB3 ))
   (  segid "    " and resid 27   and name HB% )
      2.400     0.700     0.700 peak  3891 spectrum    1 weight  0.10000E+01 volume  0.56186E-02 ppm1      2.791 ppm2      1.159 CV     1
 ASSI { 3905}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 4    and name HG2%)
      3.300     1.400     1.400 peak  3905 spectrum    1 weight  0.10000E+01 volume  0.22791E-02 ppm1      4.788 ppm2      1.154 CV     1
 ASSI { 3909}
   (( segid "    " and resid 34   and name HB3 ))
   (  segid "    " and resid 27   and name HB% )
      3.000     1.100     1.100 peak  3909 spectrum    1 weight  0.10000E+01 volume  0.20695E-02 ppm1      2.615 ppm2      1.154 CV     1
 ASSI { 3914}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 27   and name HB% )
      3.100     3.100     2.900 peak  3914 spectrum    1 weight  0.10000E+01 volume  0.13828E-02 ppm1      8.406 ppm2      1.148 CV     1
 ASSI { 3924}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
      3.100     1.200     1.200 peak  3924 spectrum    1 weight  0.10000E+01 volume  0.12943E-02 ppm1      7.460 ppm2      1.112 CV     1
 ASSI { 3931}
   (( segid "    " and resid 18   and name HB3 ))
   (  segid "    " and resid 15   and name HG1%)
      3.200     3.200     2.800 peak  3931 spectrum    1 weight  0.10000E+01 volume  0.15092E-02 ppm1      2.906 ppm2      1.112 CV     1
 ASSI { 3941}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 15   and name HG1%)
      2.400     0.700     0.700 peak  3941 spectrum    1 weight  0.10000E+01 volume  0.82198E-02 ppm1      3.296 ppm2      1.107 CV     1
 ASSI { 3942}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 15   and name HG1%)
      3.300     1.300     1.300 peak  3942 spectrum    1 weight  0.10000E+01 volume  0.14986E-02 ppm1      2.978 ppm2      1.107 CV     1
 ASSI { 3946}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
      3.500     1.500     1.500 peak  3946 spectrum    1 weight  0.10000E+01 volume  0.11795E-02 ppm1      7.299 ppm2      1.102 CV     1
 ASSI { 3951}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
      3.600     1.700     1.700 peak  3951 spectrum    1 weight  0.10000E+01 volume  0.14776E-02 ppm1      7.907 ppm2      1.096 CV     1
 ASSI { 3960}
   (  segid "    " and resid 2    and name HG2%)
   (( segid "    " and resid 2    and name HG12))
      2.700     0.900     0.900 peak  3960 spectrum    1 weight  0.10000E+01 volume  0.22854E-02 ppm1      0.332 ppm2      1.086 CV     1
 ASSI { 3964}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HG12))
      3.300     1.400     1.400 peak  3964 spectrum    1 weight  0.10000E+01 volume  0.26308E-02 ppm1      8.500 ppm2      1.065 CV     1
 ASSI { 3967}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 2    and name HG12))
      2.600     0.900     0.900 peak  3967 spectrum    1 weight  0.10000E+01 volume  0.26729E-02 ppm1      0.368 ppm2      1.055 CV     1
 OR { 3967}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 2    and name HB  ))
 ASSI { 3974}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HG1 ))
      2.900     1.000     1.000 peak  3974 spectrum    1 weight  0.10000E+01 volume  0.26477E-02 ppm1      8.401 ppm2      1.034 CV     1
 OR { 3974}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 24   and name HG2%)
 ASSI { 3976}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 24   and name HG1 ))
      2.600     0.900     0.900 peak  3976 spectrum    1 weight  0.10000E+01 volume  0.53132E-02 ppm1      4.377 ppm2      1.034 CV     1
 OR { 3976}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 24   and name HG2%)
 ASSI { 3980}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 2    and name HB  ))
      2.000     0.500     0.500 peak  3980 spectrum    1 weight  0.10000E+01 volume  0.72931E-02 ppm1      2.968 ppm2      1.034 CV     1
 ASSI { 3987}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HG1 ))
      3.100     1.200     1.200 peak  3987 spectrum    1 weight  0.10000E+01 volume  0.14566E-02 ppm1      8.110 ppm2      1.029 CV     1
 OR { 3987}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 24   and name HG2%)
 ASSI { 3988}
   (( segid "    " and resid 21   and name HE  ))
   (( segid "    " and resid 21   and name HG3 ))
      2.900     1.000     1.000 peak  3988 spectrum    1 weight  0.10000E+01 volume  0.19705E-02 ppm1      7.221 ppm2      1.029 CV     1
 ASSI { 3990}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 24   and name HG2%)
      2.800     1.000     1.000 peak  3990 spectrum    1 weight  0.10000E+01 volume  0.38703E-02 ppm1      4.824 ppm2      1.029 CV     1
 OR { 3990}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HG1 ))
 ASSI { 4002}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HG3 ))
      2.100     0.500     0.500 peak  4002 spectrum    1 weight  0.10000E+01 volume  0.94403E-02 ppm1      1.491 ppm2      1.013 CV     1
 ASSI { 4003}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 21   and name HG3 ))
      2.600     0.800     0.800 peak  4003 spectrum    1 weight  0.10000E+01 volume  0.15418E-02 ppm1      1.304 ppm2      1.013 CV     1
 ASSI { 4005}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
      3.200     1.300     1.300 peak  4005 spectrum    1 weight  0.10000E+01 volume  0.16851E-02 ppm1      7.465 ppm2      0.998 CV     1
 ASSI { 4010}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
      3.500     1.500     1.500 peak  4010 spectrum    1 weight  0.10000E+01 volume  0.13849E-02 ppm1      7.731 ppm2      0.992 CV     1
 ASSI { 4011}
   (  segid "    " and resid 22   and name HE% )
   (( segid "    " and resid 21   and name HG3 ))
      2.800     2.800     3.200 peak  4011 spectrum    1 weight  0.10000E+01 volume  0.13554E-02 ppm1      6.602 ppm2      0.992 CV     1
 ASSI { 4016}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 15   and name HG2%)
      2.300     0.700     0.700 peak  4016 spectrum    1 weight  0.10000E+01 volume  0.72173E-02 ppm1      3.296 ppm2      0.992 CV     1
 ASSI { 4029}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 6    and name HG1%)
      3.500     1.600     1.600 peak  4029 spectrum    1 weight  0.10000E+01 volume  0.13428E-02 ppm1      8.505 ppm2      0.982 CV     1
 ASSI { 4030}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 6    and name HG1%)
      3.200     1.300     1.300 peak  4030 spectrum    1 weight  0.10000E+01 volume  0.16177E-02 ppm1      8.453 ppm2      0.982 CV     1
 ASSI { 4032}
   (( segid "    " and resid 4    and name HB  ))
   (  segid "    " and resid 6    and name HG1%)
      2.700     0.900     0.900 peak  4032 spectrum    1 weight  0.10000E+01 volume  0.69382E-02 ppm1      4.346 ppm2      0.982 CV     1
 ASSI { 4039}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 17   and name HG2%)
      3.400     1.500     1.500 peak  4039 spectrum    1 weight  0.10000E+01 volume  0.11627E-02 ppm1      8.297 ppm2      0.972 CV     1
 ASSI { 4045}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 17   and name HG2%)
      2.600     0.800     0.800 peak  4045 spectrum    1 weight  0.10000E+01 volume  0.26097E-02 ppm1      7.304 ppm2      0.966 CV     1
 ASSI { 4049}
   (( segid "    " and resid 6    and name HB  ))
   (  segid "    " and resid 6    and name HG1%)
      2.200     0.600     0.600 peak  4049 spectrum    1 weight  0.10000E+01 volume  0.90340E-02 ppm1      1.767 ppm2      0.966 CV     1
 ASSI { 4052}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 17   and name HG2%)
      2.800     1.000     1.000 peak  4052 spectrum    1 weight  0.10000E+01 volume  0.16598E-02 ppm1      4.559 ppm2      0.961 CV     1
 ASSI { 4062}
   (( segid "    " and resid 17   and name HG12))
   (  segid "    " and resid 17   and name HG2%)
      2.300     0.700     0.700 peak  4062 spectrum    1 weight  0.10000E+01 volume  0.57450E-02 ppm1      1.601 ppm2      0.956 CV     1
 ASSI { 4077}
   (( segid "    " and resid 6    and name HB  ))
   (  segid "    " and resid 6    and name HG2%)
      2.300     0.700     0.700 peak  4077 spectrum    1 weight  0.10000E+01 volume  0.67603E-02 ppm1      1.762 ppm2      0.940 CV     1
 ASSI { 4093}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 17   and name HD1%)
      3.300     1.400     1.400 peak  4093 spectrum    1 weight  0.10000E+01 volume  0.18377E-02 ppm1      8.604 ppm2      0.894 CV     1
 ASSI { 4101}
   (( segid "    " and resid 17   and name HB  ))
   (  segid "    " and resid 17   and name HD1%)
      2.900     1.000     1.000 peak  4101 spectrum    1 weight  0.10000E+01 volume  0.22432E-02 ppm1      2.126 ppm2      0.894 CV     1
 ASSI { 4109}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 17   and name HD1%)
      3.400     1.400     1.400 peak  4109 spectrum    1 weight  0.10000E+01 volume  0.23960E-02 ppm1      4.398 ppm2      0.888 CV     1
 ASSI { 4110}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 17   and name HD1%)
      2.300     0.700     0.700 peak  4110 spectrum    1 weight  0.10000E+01 volume  0.61347E-02 ppm1      3.940 ppm2      0.888 CV     1
 ASSI { 4113}
   (( segid "    " and resid 16   and name HE3 ))
   (  segid "    " and resid 17   and name HD1%)
      3.000     1.100     1.100 peak  4113 spectrum    1 weight  0.10000E+01 volume  0.20094E-02 ppm1      2.973 ppm2      0.888 CV     1
 OR { 4113}
   (( segid "    " and resid 16   and name HE2 ))
   (  segid "    " and resid 17   and name HD1%)
 ASSI { 4119}
   (( segid "    " and resid 21   and name HE  ))
   (  segid "    " and resid 17   and name HD1%)
      3.700     1.700     1.700 peak  4119 spectrum    1 weight  0.10000E+01 volume  0.12090E-02 ppm1      7.205 ppm2      0.883 CV     1
 ASSI { 4126}
   (  segid "    " and resid 37   and name HE% )
   (  segid "    " and resid 30   and name HG2%)
      2.900     1.100     1.100 peak  4126 spectrum    1 weight  0.10000E+01 volume  0.15587E-02 ppm1      6.566 ppm2      0.878 CV     1
 ASSI { 4142}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 30   and name HG2%)
      2.700     0.900     0.900 peak  4142 spectrum    1 weight  0.10000E+01 volume  0.24613E-02 ppm1      8.698 ppm2      0.868 CV     1
 ASSI { 4144}
   (( segid "    " and resid 29   and name HA  ))
   (  segid "    " and resid 30   and name HG2%)
      3.700     1.700     1.700 peak  4144 spectrum    1 weight  0.10000E+01 volume  0.13323E-02 ppm1      4.923 ppm2      0.868 CV     1
 ASSI { 4145}
   (( segid "    " and resid 35   and name HB  ))
   (  segid "    " and resid 30   and name HG2%)
      2.600     0.800     0.800 peak  4145 spectrum    1 weight  0.10000E+01 volume  0.33332E-02 ppm1      3.888 ppm2      0.868 CV     1
 ASSI { 4155}
   (( segid "    " and resid 31   and name HB3 ))
   (  segid "    " and resid 30   and name HG2%)
      3.000     1.200     1.200 peak  4155 spectrum    1 weight  0.10000E+01 volume  0.27825E-02 ppm1      2.765 ppm2      0.862 CV     1
 ASSI { 4174}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 19   and name HG12))
      3.200     1.300     1.300 peak  4174 spectrum    1 weight  0.10000E+01 volume  0.11301E-02 ppm1      4.335 ppm2      0.800 CV     1
 OR { 4174}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 19   and name HG13))
 ASSI { 4178}
   (  segid "    " and resid 37   and name HD% )
   (  segid "    " and resid 35   and name HG2%)
      2.700     0.900     0.900 peak  4178 spectrum    1 weight  0.10000E+01 volume  0.15176E-02 ppm1      6.888 ppm2      0.790 CV     1
 ASSI { 4182}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 35   and name HG2%)
      2.600     0.800     0.800 peak  4182 spectrum    1 weight  0.10000E+01 volume  0.37272E-02 ppm1      8.744 ppm2      0.784 CV     1
 ASSI { 4183}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HG13))
      2.800     1.000     1.000 peak  4183 spectrum    1 weight  0.10000E+01 volume  0.21948E-02 ppm1      8.505 ppm2      0.784 CV     1
 ASSI { 4188}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 35   and name HG2%)
      2.700     0.900     0.900 peak  4188 spectrum    1 weight  0.10000E+01 volume  0.28299E-02 ppm1      4.788 ppm2      0.784 CV     1
 ASSI { 4190}
   (( segid "    " and resid 35   and name HB  ))
   (  segid "    " and resid 35   and name HG2%)
      2.400     0.700     0.700 peak  4190 spectrum    1 weight  0.10000E+01 volume  0.61179E-02 ppm1      3.883 ppm2      0.784 CV     1
 ASSI { 4192}
   (( segid "    " and resid 1    and name HB2 ))
   (  segid "    " and resid 35   and name HG2%)
      2.800     1.000     1.000 peak  4192 spectrum    1 weight  0.10000E+01 volume  0.30321E-02 ppm1      1.923 ppm2      0.784 CV     1
 ASSI { 4193}
   (( segid "    " and resid 1    and name HB3 ))
   (  segid "    " and resid 35   and name HG2%)
      2.600     0.800     0.800 peak  4193 spectrum    1 weight  0.10000E+01 volume  0.33544E-02 ppm1      1.725 ppm2      0.784 CV     1
 ASSI { 4201}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 19   and name HD1%)
      3.200     1.300     1.300 peak  4201 spectrum    1 weight  0.10000E+01 volume  0.23391E-02 ppm1      8.609 ppm2      0.758 CV     1
 ASSI { 4203}
   (( segid "    " and resid 25   and name HA  ))
   (  segid "    " and resid 19   and name HD1%)
      2.700     0.900     0.900 peak  4203 spectrum    1 weight  0.10000E+01 volume  0.35270E-02 ppm1      4.320 ppm2      0.758 CV     1
 ASSI { 4204}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 19   and name HD1%)
      2.600     0.900     0.900 peak  4204 spectrum    1 weight  0.10000E+01 volume  0.34091E-02 ppm1      3.956 ppm2      0.758 CV     1
 ASSI { 4205}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 19   and name HD1%)
      2.900     1.100     1.100 peak  4205 spectrum    1 weight  0.10000E+01 volume  0.52963E-02 ppm1      3.628 ppm2      0.758 CV     1
 ASSI { 4213}
   (  segid "    " and resid 17   and name HD1%)
   (  segid "    " and resid 19   and name HD1%)
      2.300     2.300     3.700 peak  4213 spectrum    1 weight  0.10000E+01 volume  0.11911E-01 ppm1      0.888 ppm2      0.758 CV     1
 ASSI { 4290}
   (( segid "    " and resid 22   and name HB3 ))
   (  segid "    " and resid 2    and name HD1%)
      3.400     1.500     1.500 peak  4290 spectrum    1 weight  0.10000E+01 volume  0.11195E-02 ppm1      2.755 ppm2      0.374 CV     1
 ASSI { 4293}
   (( segid "    " and resid 36   and name HB2 ))
   (  segid "    " and resid 2    and name HD1%)
      3.000     1.100     1.100 peak  4293 spectrum    1 weight  0.10000E+01 volume  0.10879E-02 ppm1      2.963 ppm2      0.368 CV     1
 ASSI { 4294}
   (( segid "    " and resid 38   and name HG3 ))
   (  segid "    " and resid 2    and name HD1%)
      2.700     0.900     0.900 peak  4294 spectrum    1 weight  0.10000E+01 volume  0.18230E-02 ppm1      1.814 ppm2      0.368 CV     1
 ASSI { 4300}
   (( segid "    " and resid 2    and name HG13))
   (  segid "    " and resid 2    and name HD1%)
      2.200     0.600     0.600 peak  4300 spectrum    1 weight  0.10000E+01 volume  0.86630E-02 ppm1      0.758 ppm2      0.358 CV     1
 ASSI { 4304}
   (( segid "    " and resid 2    and name HN  ))
   (  segid "    " and resid 2    and name HG2%)
      3.800     1.800     1.800 peak  4304 spectrum    1 weight  0.10000E+01 volume  0.96154E-03 ppm1      8.510 ppm2      0.332 CV     1
 ASSI { 4309}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 2    and name HG2%)
      2.400     0.700     0.700 peak  4309 spectrum    1 weight  0.10000E+01 volume  0.59735E-02 ppm1      3.987 ppm2      0.327 CV     1
 ASSI { 4310}
   (  segid "    " and resid 4    and name HG2%)
   (  segid "    " and resid 2    and name HG2%)
      2.400     0.700     0.700 peak  4310 spectrum    1 weight  0.10000E+01 volume  0.42538E-02 ppm1      1.154 ppm2      0.327 CV     1
 ASSI { 4311}
   (( segid "    " and resid 2    and name HG13))
   (  segid "    " and resid 2    and name HG2%)
      2.800     1.000     1.000 peak  4311 spectrum    1 weight  0.10000E+01 volume  0.48214E-02 ppm1      0.764 ppm2      0.327 CV     1
 ASSI { 4314}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 2    and name HG2%)
      3.200     1.300     1.300 peak  4314 spectrum    1 weight  0.10000E+01 volume  0.10310E-02 ppm1      3.384 ppm2      0.322 CV     1
 ASSI { 4317}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 2    and name HG2%)
      3.400     3.400     2.600 peak  4317 spectrum    1 weight  0.10000E+01 volume  0.11363E-02 ppm1      2.994 ppm2      0.316 CV     1
 ASSI { 4319}
   (( segid "    " and resid 2    and name HB  ))
   (  segid "    " and resid 2    and name HG2%)
      2.300     0.700     0.700 peak  4319 spectrum    1 weight  0.10000E+01 volume  0.43727E-02 ppm1      1.039 ppm2      0.311 CV     1
 ASSI { 4359}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 31   and name HN  ))
      3.200     1.300     1.300 peak  4359 spectrum    1 weight  0.10000E+01 volume  0.10342E-02 ppm1      2.760 ppm2      9.455 CV     1
 ASSI { 5000}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 7    and name HA  ))
      2.600     0.900     0.900 peak  5000 spectrum    1 weight  0.10000E+01 volume  0.33670E-02 ppm1      5.420 ppm2      4.730 CV     1
 ASSI { 5001}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      3.500     1.500     1.500 peak  5001 spectrum    1 weight  0.10000E+01 volume  0.10932E-02 ppm1      9.496 ppm2      8.692 CV     1
 ASSI { 5003}
   (( segid "    " and resid 35   and name HB  ))
   (( segid "    " and resid 35   and name HN  ))
      2.700     0.900     0.900 peak  5003 spectrum    1 weight  0.10000E+01 volume  0.32901E-02 ppm1      3.884 ppm2      9.504 CV     1
 ASSI { 5004}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 35   and name HN  ))
      4.000     2.000     2.000 peak  5004 spectrum    1 weight  0.10000E+01 volume  0.91208E-03 ppm1      2.612 ppm2      9.505 CV     1
 ASSI { 5005}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
      3.300     1.300     1.300 peak  5005 spectrum    1 weight  0.10000E+01 volume  0.88466E-03 ppm1      3.067 ppm2      9.456 CV     1
 ASSI { 5006}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HN  ))
      2.900     1.000     1.000 peak  5006 spectrum    1 weight  0.10000E+01 volume  0.13828E-02 ppm1      2.969 ppm2      8.743 CV     1
 ASSI { 5013}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 19   and name HN  ))
      2.900     1.000     1.000 peak  5013 spectrum    1 weight  0.10000E+01 volume  0.21506E-02 ppm1      2.911 ppm2      8.604 CV     1
 ASSI { 5014}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 19   and name HN  ))
      3.700     1.700     1.700 peak  5014 spectrum    1 weight  0.10000E+01 volume  0.11542E-02 ppm1      3.202 ppm2      8.607 CV     1
 ASSI { 5018}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      3.400     1.400     1.400 peak  5018 spectrum    1 weight  0.10000E+01 volume  0.12143E-02 ppm1      5.527 ppm2      8.542 CV     1
 ASSI { 5022}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      3.200     1.300     1.300 peak  5022 spectrum    1 weight  0.10000E+01 volume  0.12228E-02 ppm1      4.037 ppm2      7.302 CV     1
 ASSI { 5023}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 22   and name HN  ))
      3.400     1.500     1.500 peak  5023 spectrum    1 weight  0.10000E+01 volume  0.20663E-02 ppm1      2.765 ppm2      7.383 CV     1
 ASSI { 5025}
   (( segid "    " and resid 38   and name HD2 ))
   (  segid "    " and resid 37   and name HD% )
      3.100     3.100     2.900 peak  5025 spectrum    1 weight  0.10000E+01 volume  0.87936E-03 ppm1      3.762 ppm2      6.883 CV     1
 ASSI { 5029}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 21   and name HE  ))
      3.100     1.200     1.200 peak  5029 spectrum    1 weight  0.10000E+01 volume  0.13512E-02 ppm1      1.308 ppm2      7.207 CV     1
 ASSI { 5030}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 22   and name HE% )
      3.000     1.100     1.100 peak  5030 spectrum    1 weight  0.10000E+01 volume  0.13133E-02 ppm1      1.499 ppm2      6.600 CV     1
 ASSI { 5032}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 22   and name HE% )
      3.300     1.300     1.300 peak  5032 spectrum    1 weight  0.10000E+01 volume  0.13744E-02 ppm1      4.844 ppm2      6.605 CV     1
 ASSI { 5042}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 6    and name HA  ))
      2.800     1.000     1.000 peak  5042 spectrum    1 weight  0.10000E+01 volume  0.23243E-02 ppm1      0.941 ppm2      3.865 CV     1
 ASSI { 5043}
   (( segid "    " and resid 1    and name HB2 ))
   (( segid "    " and resid 1    and name HA  ))
      2.800     1.000     1.000 peak  5043 spectrum    1 weight  0.10000E+01 volume  0.17503E-02 ppm1      1.917 ppm2      3.973 CV     1
 ASSI { 5045}
   (( segid "    " and resid 38   and name HD2 ))
   (( segid "    " and resid 38   and name HA  ))
      3.600     1.600     1.600 peak  5045 spectrum    1 weight  0.10000E+01 volume  0.86146E-03 ppm1      3.773 ppm2      4.382 CV     1
 ASSI { 5046}
   (( segid "    " and resid 26   and name HA2 ))
   (( segid "    " and resid 26   and name HA1 ))
      2.000     0.500     0.500 peak  5046 spectrum    1 weight  0.10000E+01 volume  0.10795E-01 ppm1      3.511 ppm2      4.109 CV     1
 ASSI { 5048}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB  ))
      2.200     0.600     0.600 peak  5048 spectrum    1 weight  0.10000E+01 volume  0.87582E-02 ppm1      4.818 ppm2      4.029 CV     1
 ASSI { 5059}
   (  segid "    " and resid 22   and name HD% )
   (( segid "    " and resid 22   and name HB2 ))
      2.200     0.600     0.600 peak  5059 spectrum    1 weight  0.10000E+01 volume  0.33027E-02 ppm1      7.221 ppm2      3.377 CV     1
 ASSI { 5066}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HB2 ))
      2.700     0.900     0.900 peak  5066 spectrum    1 weight  0.10000E+01 volume  0.30963E-02 ppm1      4.867 ppm2      3.431 CV     1
 ASSI { 5069}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
      2.700     0.900     0.900 peak  5069 spectrum    1 weight  0.10000E+01 volume  0.40136E-02 ppm1      4.399 ppm2      3.007 CV     1
 ASSI { 5070}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB3 ))
      3.200     1.300     1.300 peak  5070 spectrum    1 weight  0.10000E+01 volume  0.14081E-02 ppm1      4.394 ppm2      2.908 CV     1
 ASSI { 5071}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
      2.900     1.000     1.000 peak  5071 spectrum    1 weight  0.10000E+01 volume  0.27530E-02 ppm1      4.553 ppm2      2.981 CV     1
 ASSI { 5086}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 34   and name HB2 ))
      2.100     0.600     0.600 peak  5086 spectrum    1 weight  0.10000E+01 volume  0.84955E-02 ppm1      2.612 ppm2      2.928 CV     1
 ASSI { 5087}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 29   and name HB2 ))
      1.800     0.400     0.400 peak  5087 spectrum    1 weight  0.10000E+01 volume  0.23043E-01 ppm1      2.625 ppm2      2.836 CV     1
 ASSI { 5088}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 18   and name HB3 ))
      2.500     2.500     3.500 peak  5088 spectrum    1 weight  0.10000E+01 volume  0.81960E-02 ppm1      2.604 ppm2      2.892 CV     1
 ASSI { 5089}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HB3 ))
      2.000     0.500     0.500 peak  5089 spectrum    1 weight  0.10000E+01 volume  0.99917E-02 ppm1      3.434 ppm2      2.930 CV     1
 ASSI { 5105}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB3 ))
      2.500     0.800     0.800 peak  5105 spectrum    1 weight  0.10000E+01 volume  0.75743E-02 ppm1      4.725 ppm2      2.635 CV     1
 ASSI { 5107}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB3 ))
      3.900     1.900     1.900 peak  5107 spectrum    1 weight  0.10000E+01 volume  0.30542E-03 ppm1      4.376 ppm2      2.091 CV     1
 ASSI { 5110}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB3 ))
      3.000     1.100     1.100 peak  5110 spectrum    1 weight  0.10000E+01 volume  0.24918E-02 ppm1      4.926 ppm2      2.622 CV     1
 ASSI { 5114}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 27   and name HB% )
      2.900     1.100     1.100 peak  5114 spectrum    1 weight  0.10000E+01 volume  0.18694E-02 ppm1      5.632 ppm2      1.160 CV     1
 ASSI { 5115}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB3 ))
      3.000     1.100     1.100 peak  5115 spectrum    1 weight  0.10000E+01 volume  0.15776E-02 ppm1      4.323 ppm2      1.687 CV     1
 ASSI { 5117}
   (( segid "    " and resid 6    and name HA  ))
   (  segid "    " and resid 6    and name HG1%)
      2.400     0.700     0.700 peak  5117 spectrum    1 weight  0.10000E+01 volume  0.59988E-02 ppm1      3.865 ppm2      0.963 CV     1
 ASSI { 5118}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 4    and name HG2%)
      2.400     0.700     0.700 peak  5118 spectrum    1 weight  0.10000E+01 volume  0.64138E-02 ppm1      4.680 ppm2      1.159 CV     1
 ASSI { 5121}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 33   and name HB2 ))
      3.100     3.100     2.900 peak  5121 spectrum    1 weight  0.10000E+01 volume  0.23749E-02 ppm1      2.752 ppm2      1.690 CV     1
 OR { 5121}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 33   and name HB3 ))
 ASSI { 5123}
   (( segid "    " and resid 33   and name HD2 ))
   (( segid "    " and resid 33   and name HG3 ))
      3.000     1.100     1.100 peak  5123 spectrum    1 weight  0.10000E+01 volume  0.13638E-02 ppm1      3.185 ppm2      1.458 CV     1
 OR { 5123}
   (( segid "    " and resid 33   and name HD2 ))
   (( segid "    " and resid 33   and name HG2 ))
 ASSI { 5124}
   (( segid "    " and resid 33   and name HD3 ))
   (( segid "    " and resid 33   and name HB3 ))
      3.000     1.100     1.100 peak  5124 spectrum    1 weight  0.10000E+01 volume  0.15840E-02 ppm1      3.053 ppm2      1.712 CV     1
 OR { 5124}
   (( segid "    " and resid 33   and name HD3 ))
   (( segid "    " and resid 33   and name HB2 ))
 ASSI { 5128}
   (( segid "    " and resid 36   and name HB3 ))
   (  segid "    " and resid 2    and name HG2%)
      3.900     1.900     1.900 peak  5128 spectrum    1 weight  0.10000E+01 volume  0.13323E-02 ppm1      2.036 ppm2      0.324 CV     1
 ASSI { 5130}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      3.900     1.900     1.900 peak  5130 spectrum    1 weight  0.10000E+01 volume  0.10395E-02 ppm1      5.637 ppm2      9.026 CV     1
 ASSI { 6002}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      2.100     2.100     3.900 peak  6002 spectrum    1 weight  0.10000E+01 volume  0.17546E-01 ppm1      4.660 ppm2      8.510 CV     1
 ASSI { 6003}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      2.000     0.500     0.500 peak  6003 spectrum    1 weight  0.10000E+01 volume  0.17546E-01 ppm1      4.710 ppm2      8.114 CV     1
 ASSI { 6715}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      3.500     1.500     1.500 peak  6715 spectrum    1 weight  0.10000E+01 volume  0.84257E-03 ppm1      8.110 ppm2      8.790 CV     1

!Ambiguous distance constraints : 111
 ASSI {  326}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.200     0.600     0.600 peak   326 spectrum    1 weight  0.10000E+01 volume  0.11900E-01 ppm1      9.451 ppm2      4.346 CV     1
 OR {  326}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
 ASSI {  383}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 16   and name HE3 ))
      2.200     0.600     0.600 peak   383 spectrum    1 weight  0.10000E+01 volume  0.94887E-02 ppm1      1.694 ppm2      2.999 CV     1
 OR {  383}
   (( segid "    " and resid 13   and name HD3 ))
   (( segid "    " and resid 13   and name HE2 ))
 OR {  383}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 16   and name HE2 ))
 OR {  383}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 16   and name HE3 ))
 OR {  383}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 16   and name HE2 ))
 ASSI {  386}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 14   and name HB2 ))
      1.600     0.300     0.600 peak   386 spectrum    1 weight  0.10000E+01 volume  0.49615E-01 ppm1      2.791 ppm2      2.963 CV     1
 OR {  386}
   (( segid "    " and resid 3    and name HB3 ))
   (( segid "    " and resid 3    and name HB2 ))
 ASSI {  433}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 25   and name HB2 ))
      1.900     0.500     0.500 peak   433 spectrum    1 weight  0.10000E+01 volume  0.13860E-01 ppm1      1.689 ppm2      1.887 CV     1
 OR {  433}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 16   and name HB2 ))
 ASSI {  449}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HG3 ))
      2.200     0.600     0.600 peak   449 spectrum    1 weight  0.10000E+01 volume  0.10911E-01 ppm1      1.710 ppm2      1.476 CV     1
 OR {  449}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 33   and name HG2 ))
 OR {  449}
   (( segid "    " and resid 13   and name HD2 ))
   (( segid "    " and resid 13   and name HG2 ))
 OR {  449}
   (( segid "    " and resid 13   and name HD3 ))
   (( segid "    " and resid 13   and name HG2 ))
 OR {  449}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 33   and name HG3 ))
 ASSI {  454}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 7    and name HG3 ))
      1.800     0.400     0.400 peak   454 spectrum    1 weight  0.10000E+01 volume  0.17282E-01 ppm1      1.580 ppm2      1.393 CV     1
 OR {  454}
   (( segid "    " and resid 28   and name HD3 ))
   (( segid "    " and resid 28   and name HG2 ))
 ASSI {  462}
   (  segid "    " and resid 30   and name HG2%)
   (( segid "    " and resid 30   and name HG13))
      2.000     0.500     0.500 peak   462 spectrum    1 weight  0.10000E+01 volume  0.15440E-01 ppm1      0.868 ppm2      1.039 CV     1
 OR {  462}
   (  segid "    " and resid 17   and name HD1%)
   (( segid "    " and resid 21   and name HG3 ))
 ASSI {  474}
   (( segid "    " and resid 30   and name HA  ))
   (  segid "    " and resid 30   and name HG2%)
      2.500     0.800     0.800 peak   474 spectrum    1 weight  0.10000E+01 volume  0.98112E-02 ppm1      4.341 ppm2      0.862 CV     1
 OR {  474}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 30   and name HG2%)
 ASSI {  570}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HN  ))
      2.900     1.000     1.000 peak   570 spectrum    1 weight  0.10000E+01 volume  0.26519E-02 ppm1      2.916 ppm2      8.791 CV     1
 OR {  570}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 34   and name HN  ))
 ASSI {  618}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      3.000     1.100     1.100 peak   618 spectrum    1 weight  0.10000E+01 volume  0.18725E-02 ppm1      3.951 ppm2      8.609 CV     1
 OR {  618}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI {  629}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      2.900     1.100     1.100 peak   629 spectrum    1 weight  0.10000E+01 volume  0.23444E-02 ppm1      3.940 ppm2      8.573 CV     1
 OR {  629}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI {  641}
   (( segid "    " and resid 24   and name HG1 ))
   (( segid "    " and resid 37   and name HN  ))
      3.100     1.200     1.200 peak   641 spectrum    1 weight  0.10000E+01 volume  0.25308E-02 ppm1      1.034 ppm2      8.547 CV     1
 OR {  641}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 37   and name HN  ))
 OR {  641}
   (( segid "    " and resid 2    and name HB  ))
   (( segid "    " and resid 37   and name HN  ))
 ASSI {  648}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HN  ))
      2.700     0.900     0.900 peak   648 spectrum    1 weight  0.10000E+01 volume  0.28636E-02 ppm1      2.926 ppm2      8.526 CV     1
 OR {  648}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
 ASSI {  653}
   (  segid "    " and resid 6    and name HG1%)
   (( segid "    " and resid 5    and name HN  ))
      3.600     1.600     1.600 peak   653 spectrum    1 weight  0.10000E+01 volume  0.13112E-02 ppm1      0.987 ppm2      8.521 CV     1
 OR {  653}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 37   and name HN  ))
 ASSI {  660}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 2    and name HN  ))
      2.400     0.700     0.700 peak   660 spectrum    1 weight  0.10000E+01 volume  0.64811E-02 ppm1      3.966 ppm2      8.495 CV     1
 OR {  660}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HN  ))
 ASSI {  723}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 6    and name HN  ))
      3.400     1.500     1.500 peak   723 spectrum    1 weight  0.10000E+01 volume  0.13786E-02 ppm1      2.921 ppm2      8.115 CV     1
 OR {  723}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 25   and name HN  ))
 ASSI {  749}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      2.500     0.800     0.800 peak   749 spectrum    1 weight  0.10000E+01 volume  0.55080E-02 ppm1      4.138 ppm2      7.944 CV     1
 OR {  749}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
 ASSI {  750}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 13   and name HN  ))
      3.000     1.100     1.100 peak   750 spectrum    1 weight  0.10000E+01 volume  0.29226E-02 ppm1      3.946 ppm2      7.944 CV     1
 OR {  750}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 13   and name HN  ))
 OR {  750}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 13   and name HN  ))
 ASSI {  769}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 27   and name HN  ))
      2.900     2.900     3.100 peak   769 spectrum    1 weight  0.10000E+01 volume  0.35660E-02 ppm1      3.966 ppm2      7.892 CV     1
 OR {  769}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
 OR {  769}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
 ASSI {  822}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
      3.500     1.500     1.500 peak   822 spectrum    1 weight  0.10000E+01 volume  0.15029E-02 ppm1      2.989 ppm2      7.465 CV     1
 OR {  822}
   (( segid "    " and resid 16   and name HE3 ))
   (( segid "    " and resid 16   and name HN  ))
 OR {  822}
   (( segid "    " and resid 16   and name HE2 ))
   (( segid "    " and resid 16   and name HN  ))
 ASSI {  828}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 16   and name HN  ))
      3.100     1.200     1.200 peak   828 spectrum    1 weight  0.10000E+01 volume  0.38703E-02 ppm1      2.136 ppm2      7.460 CV     1
 OR {  828}
   (( segid "    " and resid 17   and name HB  ))
   (( segid "    " and resid 16   and name HN  ))
 ASSI {  848}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      2.600     0.800     0.800 peak   848 spectrum    1 weight  0.10000E+01 volume  0.43674E-02 ppm1      3.940 ppm2      7.304 CV     1
 OR {  848}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
 ASSI {  857}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      2.700     0.900     0.900 peak   857 spectrum    1 weight  0.10000E+01 volume  0.39304E-02 ppm1      4.554 ppm2      7.299 CV     1
 OR {  857}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
 ASSI {  858}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      3.100     1.200     1.200 peak   858 spectrum    1 weight  0.10000E+01 volume  0.18251E-02 ppm1      4.143 ppm2      7.299 CV     1
 OR {  858}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
 ASSI {  872}
   (( segid "    " and resid 36   and name HB2 ))
   (  segid "    " and resid 22   and name HD% )
      2.900     2.900     3.100 peak   872 spectrum    1 weight  0.10000E+01 volume  0.17082E-02 ppm1      2.963 ppm2      7.221 CV     1
 OR {  872}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 21   and name HE  ))
 ASSI {  874}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 22   and name HD% )
      2.600     0.900     0.900 peak   874 spectrum    1 weight  0.10000E+01 volume  0.24707E-02 ppm1      1.491 ppm2      7.221 CV     1
 OR {  874}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HE  ))
 ASSI {  891}
   (( segid "    " and resid 17   and name HG13))
   (( segid "    " and resid 21   and name HE  ))
      2.600     0.800     0.800 peak   891 spectrum    1 weight  0.10000E+01 volume  0.24222E-02 ppm1      1.549 ppm2      7.205 CV     1
 OR {  891}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 25   and name HE  ))
 ASSI {  951}
   (  segid "    " and resid 6    and name HG1%)
   (  segid "    " and resid 22   and name HE% )
      3.100     3.100     2.900 peak   951 spectrum    1 weight  0.10000E+01 volume  0.12964E-02 ppm1      0.966 ppm2      6.602 CV     1
 OR {  951}
   (  segid "    " and resid 17   and name HG2%)
   (  segid "    " and resid 22   and name HE% )
 ASSI {  955}
   (( segid "    " and resid 2    and name HB  ))
   (  segid "    " and resid 22   and name HE% )
      3.200     1.300     1.300 peak   955 spectrum    1 weight  0.10000E+01 volume  0.14566E-02 ppm1      1.024 ppm2      6.597 CV     1
 OR {  955}
   (( segid "    " and resid 21   and name HG3 ))
   (  segid "    " and resid 22   and name HE% )
 ASSI { 1121}
   (  segid "    " and resid 27   and name HB% )
   (( segid "    " and resid 35   and name HA  ))
      3.200     1.200     1.200 peak  1121 spectrum    1 weight  0.10000E+01 volume  0.14460E-02 ppm1      1.154 ppm2      5.157 CV     1
 OR { 1121}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 35   and name HA  ))
 ASSI { 2694}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB  ))
      2.900     1.000     1.000 peak  2694 spectrum    1 weight  0.10000E+01 volume  0.31553E-02 ppm1      8.521 ppm2      4.356 CV     1
 OR { 2694}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
 ASSI { 2707}
   (( segid "    " and resid 30   and name HG13))
   (( segid "    " and resid 30   and name HA  ))
      3.100     1.200     1.200 peak  2707 spectrum    1 weight  0.10000E+01 volume  0.15397E-02 ppm1      1.055 ppm2      4.346 CV     1
 OR { 2707}
   (( segid "    " and resid 30   and name HG13))
   (( segid "    " and resid 31   and name HA  ))
 ASSI { 2789}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.100     1.200     1.200 peak  2789 spectrum    1 weight  0.10000E+01 volume  0.17609E-02 ppm1      7.736 ppm2      4.153 CV     1
 OR { 2789}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI { 2796}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HA  ))
      2.900     1.000     1.000 peak  2796 spectrum    1 weight  0.10000E+01 volume  0.30500E-02 ppm1      1.481 ppm2      4.148 CV     1
 OR { 2796}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI { 2857}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.300     1.400     1.400 peak  2857 spectrum    1 weight  0.10000E+01 volume  0.96576E-03 ppm1      7.933 ppm2      4.023 CV     1
 OR { 2857}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 24   and name HB  ))
 ASSI { 3171}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HE2 ))
      3.800     1.800     1.800 peak  3171 spectrum    1 weight  0.10000E+01 volume  0.11479E-02 ppm1      7.949 ppm2      2.989 CV     1
 OR { 3171}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
 ASSI { 3186}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      3.500     1.600     1.600 peak  3186 spectrum    1 weight  0.10000E+01 volume  0.10184E-02 ppm1      9.025 ppm2      2.968 CV     1
 OR { 3186}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
 ASSI { 3190}
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 36   and name HB2 ))
      3.100     3.100     2.900 peak  3190 spectrum    1 weight  0.10000E+01 volume  0.19378E-02 ppm1      4.039 ppm2      2.968 CV     1
 OR { 3190}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
 ASSI { 3191}
   (  segid "    " and resid 27   and name HB% )
   (( segid "    " and resid 14   and name HB2 ))
      2.400     0.700     0.700 peak  3191 spectrum    1 weight  0.10000E+01 volume  0.62779E-02 ppm1      1.159 ppm2      2.968 CV     1
 OR { 3191}
   (  segid "    " and resid 27   and name HB% )
   (( segid "    " and resid 36   and name HB2 ))
 ASSI { 3212}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HB2 ))
      3.900     1.900     1.900 peak  3212 spectrum    1 weight  0.10000E+01 volume  0.99733E-03 ppm1      7.949 ppm2      2.952 CV     1
 OR { 3212}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
 ASSI { 3217}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 8    and name HB3 ))
      3.400     1.400     1.400 peak  3217 spectrum    1 weight  0.10000E+01 volume  0.12364E-02 ppm1      1.772 ppm2      2.947 CV     1
 OR { 3217}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 14   and name HB2 ))
 OR { 3217}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 37   and name HB2 ))
 OR { 3217}
   (( segid "    " and resid 6    and name HB  ))
   (( segid "    " and resid 8    and name HB3 ))
 OR { 3217}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 37   and name HB2 ))
 ASSI { 3218}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HB2 ))
      2.400     0.700     0.700 peak  3218 spectrum    1 weight  0.10000E+01 volume  0.88427E-02 ppm1      4.866 ppm2      2.942 CV     1
 OR { 3218}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HB3 ))
 ASSI { 3229}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      3.500     1.500     1.500 peak  3229 spectrum    1 weight  0.10000E+01 volume  0.14439E-02 ppm1      8.115 ppm2      2.921 CV     1
 OR { 3229}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
 OR { 3229}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 18   and name HB3 ))
 ASSI { 3236}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      2.900     1.000     1.000 peak  3236 spectrum    1 weight  0.10000E+01 volume  0.30584E-02 ppm1      8.495 ppm2      2.916 CV     1
 OR { 3236}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB3 ))
 ASSI { 3241}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 18   and name HB3 ))
      3.600     1.600     1.600 peak  3241 spectrum    1 weight  0.10000E+01 volume  0.13154E-02 ppm1      4.559 ppm2      2.916 CV     1
 OR { 3241}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 34   and name HB2 ))
 ASSI { 3242}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 20   and name HB3 ))
      3.000     1.100     1.100 peak  3242 spectrum    1 weight  0.10000E+01 volume  0.37693E-02 ppm1      3.940 ppm2      2.916 CV     1
 OR { 3242}
   (( segid "    " and resid 32   and name HA2 ))
   (( segid "    " and resid 8    and name HB3 ))
 OR { 3242}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 8    and name HB3 ))
 OR { 3242}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 18   and name HB3 ))
 OR { 3242}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 18   and name HB3 ))
 ASSI { 3246}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 8    and name HB3 ))
      3.000     1.100     1.100 peak  3246 spectrum    1 weight  0.10000E+01 volume  0.22253E-02 ppm1      1.772 ppm2      2.916 CV     1
 OR { 3246}
   (( segid "    " and resid 6    and name HB  ))
   (( segid "    " and resid 34   and name HB2 ))
 OR { 3246}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 34   and name HB2 ))
 OR { 3246}
   (( segid "    " and resid 6    and name HB  ))
   (( segid "    " and resid 5    and name HB2 ))
 OR { 3246}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 37   and name HB2 ))
 OR { 3246}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 37   and name HB2 ))
 ASSI { 3263}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 34   and name HB2 ))
      3.000     1.100     1.100 peak  3263 spectrum    1 weight  0.10000E+01 volume  0.31805E-02 ppm1      2.786 ppm2      2.895 CV     1
 OR { 3263}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 18   and name HB3 ))
 ASSI { 3265}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      3.100     3.100     2.900 peak  3265 spectrum    1 weight  0.10000E+01 volume  0.16725E-02 ppm1      8.791 ppm2      2.890 CV     1
 OR { 3265}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
 OR { 3265}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 18   and name HB3 ))
 OR { 3265}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 21   and name HD3 ))
 ASSI { 3336}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 14   and name HB3 ))
      3.200     1.300     1.300 peak  3336 spectrum    1 weight  0.10000E+01 volume  0.18357E-02 ppm1      4.034 ppm2      2.765 CV     1
 OR { 3336}
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 22   and name HB3 ))
 ASSI { 3347}
   (( segid "    " and resid 30   and name HG13))
   (( segid "    " and resid 31   and name HB3 ))
      2.900     1.100     1.100 peak  3347 spectrum    1 weight  0.10000E+01 volume  0.24739E-02 ppm1      1.034 ppm2      2.760 CV     1
 OR { 3347}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 22   and name HB3 ))
 OR { 3347}
   (( segid "    " and resid 2    and name HB  ))
   (( segid "    " and resid 22   and name HB3 ))
 ASSI { 3357}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 22   and name HB3 ))
      3.000     1.200     1.200 peak  3357 spectrum    1 weight  0.10000E+01 volume  0.13386E-02 ppm1      1.034 ppm2      2.734 CV     1
 OR { 3357}
   (( segid "    " and resid 2    and name HB  ))
   (( segid "    " and resid 22   and name HB3 ))
 OR { 3357}
   (( segid "    " and resid 21   and name HG3 ))
   (( segid "    " and resid 22   and name HB3 ))
 ASSI { 3388}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 34   and name HB3 ))
      3.700     3.700     2.300 peak  3388 spectrum    1 weight  0.10000E+01 volume  0.10110E-02 ppm1      4.148 ppm2      2.620 CV     1
 OR { 3388}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 29   and name HB3 ))
 OR { 3388}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 34   and name HB3 ))
 OR { 3388}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 23   and name HB3 ))
 ASSI { 3552}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 38   and name HG2 ))
      3.700     1.700     1.700 peak  3552 spectrum    1 weight  0.10000E+01 volume  0.10869E-02 ppm1      3.982 ppm2      2.043 CV     1
 OR { 3552}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 36   and name HB3 ))
 OR { 3552}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 36   and name HB3 ))
 ASSI { 3554}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 38   and name HG2 ))
      3.700     1.700     1.700 peak  3554 spectrum    1 weight  0.10000E+01 volume  0.11500E-02 ppm1      3.176 ppm2      2.043 CV     1
 OR { 3554}
   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 38   and name HG2 ))
 OR { 3554}
   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 36   and name HB3 ))
 ASSI { 3568}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 13   and name HB2 ))
      3.500     1.500     1.500 peak  3568 spectrum    1 weight  0.10000E+01 volume  0.13049E-02 ppm1      3.951 ppm2      2.017 CV     1
 OR { 3568}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 13   and name HB2 ))
 OR { 3568}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 36   and name HB3 ))
 OR { 3568}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 13   and name HB2 ))
 ASSI { 3611}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HB3 ))
      3.300     1.400     1.400 peak  3611 spectrum    1 weight  0.10000E+01 volume  0.11974E-02 ppm1      4.138 ppm2      1.892 CV     1
 OR { 3611}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
 OR { 3611}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 16   and name HB3 ))
 ASSI { 3637}
   (  segid "    " and resid 30   and name HG2%)
   (( segid "    " and resid 30   and name HB  ))
      2.200     0.600     0.600 peak  3637 spectrum    1 weight  0.10000E+01 volume  0.75259E-02 ppm1      0.862 ppm2      1.829 CV     1
 OR { 3637}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 19   and name HB  ))
 ASSI { 3644}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 19   and name HB  ))
      2.800     1.000     1.000 peak  3644 spectrum    1 weight  0.10000E+01 volume  0.42295E-02 ppm1      3.951 ppm2      1.819 CV     1
 OR { 3644}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 38   and name HG3 ))
 OR { 3644}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 19   and name HB  ))
 ASSI { 3657}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 28   and name HB2 ))
      2.400     0.700     0.700 peak  3657 spectrum    1 weight  0.10000E+01 volume  0.58377E-02 ppm1      1.377 ppm2      1.798 CV     1
 OR { 3657}
   (( segid "    " and resid 7    and name HG3 ))
   (( segid "    " and resid 7    and name HB2 ))
 OR { 3657}
   (( segid "    " and resid 13   and name HG3 ))
   (( segid "    " and resid 13   and name HB3 ))
 OR { 3657}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 28   and name HB3 ))
 OR { 3657}
   (( segid "    " and resid 28   and name HG2 ))
   (( segid "    " and resid 28   and name HB2 ))
 ASSI { 3662}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 7    and name HB2 ))
      2.600     0.800     0.800 peak  3662 spectrum    1 weight  0.10000E+01 volume  0.43969E-02 ppm1      1.585 ppm2      1.793 CV     1
 OR { 3662}
   (( segid "    " and resid 28   and name HD3 ))
   (( segid "    " and resid 28   and name HB3 ))
 OR { 3662}
   (( segid "    " and resid 28   and name HD3 ))
   (( segid "    " and resid 28   and name HB2 ))
 ASSI { 3666}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HB2 ))
      3.000     1.200     1.200 peak  3666 spectrum    1 weight  0.10000E+01 volume  0.26603E-02 ppm1      3.873 ppm2      1.788 CV     1
 OR { 3666}
   (( segid "    " and resid 35   and name HB  ))
   (( segid "    " and resid 28   and name HB3 ))
 ASSI { 3667}
   (  segid "    " and resid 17   and name HG2%)
   (( segid "    " and resid 13   and name HB3 ))
      2.900     1.100     1.100 peak  3667 spectrum    1 weight  0.10000E+01 volume  0.19441E-02 ppm1      0.951 ppm2      1.788 CV     1
 OR { 3667}
   (  segid "    " and resid 17   and name HG2%)
   (( segid "    " and resid 19   and name HB  ))
 OR { 3667}
   (  segid "    " and resid 6    and name HG1%)
   (( segid "    " and resid 7    and name HB2 ))
 ASSI { 3676}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 13   and name HB3 ))
      2.700     0.900     0.900 peak  3676 spectrum    1 weight  0.10000E+01 volume  0.34217E-02 ppm1      2.921 ppm2      1.772 CV     1
 OR { 3676}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 6    and name HB  ))
 OR { 3676}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 6    and name HB  ))
 OR { 3676}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 28   and name HB3 ))
 OR { 3676}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 6    and name HB  ))
 OR { 3676}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 28   and name HB2 ))
 ASSI { 3677}
   (( segid "    " and resid 13   and name HE3 ))
   (( segid "    " and resid 13   and name HB3 ))
      3.200     1.300     1.300 peak  3677 spectrum    1 weight  0.10000E+01 volume  0.22759E-02 ppm1      2.843 ppm2      1.772 CV     1
 OR { 3677}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 28   and name HB2 ))
 ASSI { 3683}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 6    and name HB  ))
      3.200     1.200     1.200 peak  3683 spectrum    1 weight  0.10000E+01 volume  0.16808E-02 ppm1      2.615 ppm2      1.762 CV     1
 OR { 3683}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 13   and name HB3 ))
 OR { 3683}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 28   and name HB3 ))
 OR { 3683}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 28   and name HB2 ))
 ASSI { 3689}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 1    and name HB3 ))
      2.700     2.700     3.300 peak  3689 spectrum    1 weight  0.10000E+01 volume  0.35355E-02 ppm1      4.757 ppm2      1.736 CV     1
 OR { 3689}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 6    and name HB  ))
 ASSI { 3705}
   (( segid "    " and resid 7    and name HE3 ))
   (( segid "    " and resid 7    and name HB3 ))
      3.000     1.200     1.200 peak  3705 spectrum    1 weight  0.10000E+01 volume  0.18230E-02 ppm1      2.921 ppm2      1.710 CV     1
 OR { 3705}
   (( segid "    " and resid 7    and name HE2 ))
   (( segid "    " and resid 7    and name HB3 ))
 OR { 3705}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 33   and name HB2 ))
 OR { 3705}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 33   and name HB2 ))
 ASSI { 3715}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HB3 ))
      3.200     1.300     1.300 peak  3715 spectrum    1 weight  0.10000E+01 volume  0.15355E-02 ppm1      8.453 ppm2      1.689 CV     1
 OR { 3715}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HD3 ))
 OR { 3715}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HD2 ))
 OR { 3715}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
 ASSI { 3749}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HD3 ))
      3.500     1.500     1.500 peak  3749 spectrum    1 weight  0.10000E+01 volume  0.23296E-02 ppm1      4.554 ppm2      1.601 CV     1
 OR { 3749}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 17   and name HG12))
 ASSI { 3817}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HG12))
      3.600     1.700     1.700 peak  3817 spectrum    1 weight  0.10000E+01 volume  0.12827E-02 ppm1      8.687 ppm2      1.450 CV     1
 OR { 3817}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 33   and name HG3 ))
 ASSI { 3830}
   (( segid "    " and resid 7    and name HD3 ))
   (( segid "    " and resid 7    and name HG3 ))
      2.400     0.700     0.700 peak  3830 spectrum    1 weight  0.10000E+01 volume  0.69382E-02 ppm1      1.679 ppm2      1.403 CV     1
 OR { 3830}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 16   and name HG3 ))
 OR { 3830}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 16   and name HG3 ))
 OR { 3830}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 7    and name HG3 ))
 ASSI { 3847}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HG3 ))
      2.300     0.700     0.700 peak  3847 spectrum    1 weight  0.10000E+01 volume  0.72763E-02 ppm1      1.777 ppm2      1.361 CV     1
 OR { 3847}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 13   and name HG3 ))
 OR { 3847}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 28   and name HG3 ))
 OR { 3847}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HG2 ))
 ASSI { 3878}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 27   and name HB% )
      3.300     1.400     1.400 peak  3878 spectrum    1 weight  0.10000E+01 volume  0.14754E-02 ppm1      8.578 ppm2      1.159 CV     1
 OR { 3878}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 27   and name HB% )
 ASSI { 3884}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 27   and name HB% )
      3.000     1.100     1.100 peak  3884 spectrum    1 weight  0.10000E+01 volume  0.21295E-02 ppm1      4.575 ppm2      1.159 CV     1
 OR { 3884}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 27   and name HB% )
 ASSI { 3890}
   (( segid "    " and resid 18   and name HB3 ))
   (  segid "    " and resid 27   and name HB% )
      2.400     0.700     0.700 peak  3890 spectrum    1 weight  0.10000E+01 volume  0.55586E-02 ppm1      2.911 ppm2      1.159 CV     1
 OR { 3890}
   (( segid "    " and resid 34   and name HB2 ))
   (  segid "    " and resid 27   and name HB% )
 ASSI { 3896}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 27   and name HB% )
      3.100     1.200     1.200 peak  3896 spectrum    1 weight  0.10000E+01 volume  0.15587E-02 ppm1      8.739 ppm2      1.154 CV     1
 OR { 3896}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 4    and name HG2%)
 ASSI { 3897}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 27   and name HB% )
      3.600     1.600     1.600 peak  3897 spectrum    1 weight  0.10000E+01 volume  0.12711E-02 ppm1      8.510 ppm2      1.154 CV     1
 OR { 3897}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 4    and name HG2%)
 ASSI { 3898}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 4    and name HG2%)
      3.500     1.600     1.600 peak  3898 spectrum    1 weight  0.10000E+01 volume  0.11059E-02 ppm1      8.115 ppm2      1.154 CV     1
 OR { 3898}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 27   and name HB% )
 ASSI { 3900}
   (  segid "    " and resid 22   and name HD% )
   (  segid "    " and resid 4    and name HG2%)
      3.000     1.100     1.100 peak  3900 spectrum    1 weight  0.10000E+01 volume  0.18251E-02 ppm1      7.221 ppm2      1.154 CV     1
 OR { 3900}
   (( segid "    " and resid 21   and name HE  ))
   (  segid "    " and resid 4    and name HG2%)
 ASSI { 3939}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 15   and name HG1%)
      3.000     1.100     1.100 peak  3939 spectrum    1 weight  0.10000E+01 volume  0.24855E-02 ppm1      3.951 ppm2      1.107 CV     1
 OR { 3939}
   (( segid "    " and resid 12   and name HB3 ))
   (  segid "    " and resid 15   and name HG1%)
 OR { 3939}
   (( segid "    " and resid 12   and name HB2 ))
   (  segid "    " and resid 15   and name HG1%)
 ASSI { 3977}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HB  ))
      3.000     1.100     1.100 peak  3977 spectrum    1 weight  0.10000E+01 volume  0.18125E-02 ppm1      3.977 ppm2      1.034 CV     1
 OR { 3977}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 2    and name HB  ))
 ASSI { 3978}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 24   and name HG2%)
      2.600     0.900     0.900 peak  3978 spectrum    1 weight  0.10000E+01 volume  0.40558E-02 ppm1      3.379 ppm2      1.034 CV     1
 OR { 3978}
   (( segid "    " and resid 38   and name HD3 ))
   (( segid "    " and resid 2    and name HB  ))
 OR { 3978}
   (( segid "    " and resid 38   and name HD3 ))
   (  segid "    " and resid 24   and name HG2%)
 OR { 3978}
   (( segid "    " and resid 38   and name HD3 ))
   (( segid "    " and resid 24   and name HG1 ))
 ASSI { 3979}
   (( segid "    " and resid 18   and name HB2 ))
   (  segid "    " and resid 24   and name HG2%)
      2.700     0.900     0.900 peak  3979 spectrum    1 weight  0.10000E+01 volume  0.66339E-02 ppm1      3.202 ppm2      1.034 CV     1
 OR { 3979}
   (( segid "    " and resid 23   and name HB2 ))
   (  segid "    " and resid 24   and name HG2%)
 OR { 3979}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 21   and name HG3 ))
 ASSI { 3982}
   (( segid "    " and resid 36   and name HB3 ))
   (  segid "    " and resid 24   and name HG2%)
      2.700     0.900     0.900 peak  3982 spectrum    1 weight  0.10000E+01 volume  0.43253E-02 ppm1      2.032 ppm2      1.034 CV     1
 OR { 3982}
   (( segid "    " and resid 36   and name HB3 ))
   (( segid "    " and resid 2    and name HB  ))
 ASSI { 3993}
   (( segid "    " and resid 18   and name HB3 ))
   (  segid "    " and resid 24   and name HG2%)
      2.700     0.900     0.900 peak  3993 spectrum    1 weight  0.10000E+01 volume  0.25181E-02 ppm1      2.906 ppm2      1.029 CV     1
 OR { 3993}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 21   and name HG3 ))
 OR { 3993}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 24   and name HG1 ))
 ASSI { 4035}
   (( segid "    " and resid 25   and name HB3 ))
   (  segid "    " and resid 15   and name HG2%)
      2.900     1.100     1.100 peak  4035 spectrum    1 weight  0.10000E+01 volume  0.18209E-02 ppm1      1.673 ppm2      0.982 CV     1
 OR { 4035}
   (( segid "    " and resid 7    and name HD3 ))
   (  segid "    " and resid 6    and name HG1%)
 OR { 4035}
   (( segid "    " and resid 7    and name HD2 ))
   (  segid "    " and resid 6    and name HG1%)
 OR { 4035}
   (( segid "    " and resid 7    and name HB3 ))
   (  segid "    " and resid 6    and name HG1%)
 ASSI { 4042}
   (( segid "    " and resid 17   and name HB  ))
   (  segid "    " and resid 17   and name HG2%)
      2.200     0.600     0.600 peak  4042 spectrum    1 weight  0.10000E+01 volume  0.78496E-02 ppm1      2.136 ppm2      0.972 CV     1
 OR { 4042}
   (( segid "    " and resid 15   and name HB  ))
   (  segid "    " and resid 15   and name HG2%)
 ASSI { 4048}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 17   and name HG2%)
      2.600     0.800     0.800 peak  4048 spectrum    1 weight  0.10000E+01 volume  0.65064E-02 ppm1      3.940 ppm2      0.966 CV     1
 OR { 4048}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 15   and name HG2%)
 ASSI { 4074}
   (( segid "    " and resid 16   and name HG3 ))
   (  segid "    " and resid 17   and name HG2%)
      3.000     1.100     1.100 peak  4074 spectrum    1 weight  0.10000E+01 volume  0.18483E-02 ppm1      1.377 ppm2      0.946 CV     1
 OR { 4074}
   (( segid "    " and resid 13   and name HG3 ))
   (  segid "    " and resid 17   and name HG2%)
 OR { 4074}
   (( segid "    " and resid 7    and name HG3 ))
   (  segid "    " and resid 6    and name HG1%)
 ASSI { 4121}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 17   and name HD1%)
      3.700     1.700     1.700 peak  4121 spectrum    1 weight  0.10000E+01 volume  0.15713E-02 ppm1      4.564 ppm2      0.883 CV     1
 OR { 4121}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 30   and name HG2%)
 ASSI { 4189}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HG13))
      2.800     1.000     1.000 peak  4189 spectrum    1 weight  0.10000E+01 volume  0.30668E-02 ppm1      3.972 ppm2      0.784 CV     1
 OR { 4189}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 2    and name HG13))
 ASSI { 4210}
   (( segid "    " and resid 25   and name HG3 ))
   (  segid "    " and resid 19   and name HD1%)
      2.700     2.700     3.300 peak  4210 spectrum    1 weight  0.10000E+01 volume  0.23422E-02 ppm1      1.554 ppm2      0.758 CV     1
 OR { 4210}
   (( segid "    " and resid 17   and name HG13))
   (  segid "    " and resid 19   and name HD1%)
 ASSI { 4296}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 2    and name HD1%)
      2.800     0.900     0.900 peak  4296 spectrum    1 weight  0.10000E+01 volume  0.18167E-02 ppm1      3.384 ppm2      0.363 CV     1
 OR { 4296}
   (( segid "    " and resid 38   and name HD3 ))
   (  segid "    " and resid 2    and name HD1%)
 ASSI { 4298}
   (( segid "    " and resid 2    and name HB  ))
   (  segid "    " and resid 2    and name HD1%)
      2.500     0.800     0.800 peak  4298 spectrum    1 weight  0.10000E+01 volume  0.37693E-02 ppm1      1.044 ppm2      0.363 CV     1
 OR { 4298}
   (  segid "    " and resid 24   and name HG2%)
   (  segid "    " and resid 2    and name HD1%)
 ASSI { 5002}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      3.400     1.400     1.400 peak  5002 spectrum    1 weight  0.10000E+01 volume  0.12870E-02 ppm1      8.510 ppm2      8.740 CV     1
 OR { 5002}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
 ASSI { 5010}
   (  segid "    " and resid 27   and name HB% )
   (( segid "    " and resid 18   and name HN  ))
      2.900     1.100     1.100 peak  5010 spectrum    1 weight  0.10000E+01 volume  0.12943E-02 ppm1      1.158 ppm2      8.577 CV     1
 OR { 5010}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 5027}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 22   and name HN  ))
      3.600     1.600     1.600 peak  5027 spectrum    1 weight  0.10000E+01 volume  0.11290E-02 ppm1      1.022 ppm2      7.375 CV     1
 OR { 5027}
   (( segid "    " and resid 21   and name HG3 ))
   (( segid "    " and resid 22   and name HN  ))
 ASSI { 5033}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 22   and name HE% )
      3.300     1.400     1.400 peak  5033 spectrum    1 weight  0.10000E+01 volume  0.11090E-02 ppm1      4.844 ppm2      6.572 CV     1
 OR { 5033}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 37   and name HE% )
 ASSI { 5067}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 38   and name HD3 ))
      2.400     0.700     0.700 peak  5067 spectrum    1 weight  0.10000E+01 volume  0.52373E-02 ppm1      4.849 ppm2      3.375 CV     1
 OR { 5067}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI { 5073}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HB3 ))
      2.500     0.800     0.800 peak  5073 spectrum    1 weight  0.10000E+01 volume  0.59904E-02 ppm1      4.687 ppm2      2.921 CV     1
 OR { 5073}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HB2 ))
 ASSI { 5075}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HE2 ))
      3.700     1.700     1.700 peak  5075 spectrum    1 weight  0.10000E+01 volume  0.88151E-03 ppm1      4.156 ppm2      3.003 CV     1
 OR { 5075}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
 ASSI { 5076}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 20   and name HB3 ))
      3.500     1.500     1.500 peak  5076 spectrum    1 weight  0.10000E+01 volume  0.10331E-02 ppm1      4.159 ppm2      2.908 CV     1
 OR { 5076}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 18   and name HB3 ))
 OR { 5076}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 34   and name HB2 ))
 ASSI { 5094}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 18   and name HB2 ))
      3.600     1.600     1.600 peak  5094 spectrum    1 weight  0.10000E+01 volume  0.10584E-02 ppm1      1.033 ppm2      3.207 CV     1
 OR { 5094}
   (( segid "    " and resid 21   and name HG3 ))
   (( segid "    " and resid 18   and name HB2 ))
 ASSI { 5097}
   (  segid "    " and resid 27   and name HB% )
   (( segid "    " and resid 18   and name HB3 ))
      2.800     1.000     1.000 peak  5097 spectrum    1 weight  0.10000E+01 volume  0.22759E-02 ppm1      1.158 ppm2      2.899 CV     1
 OR { 5097}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 21   and name HD3 ))
 ASSI { 5098}
   (  segid "    " and resid 17   and name HG2%)
   (( segid "    " and resid 18   and name HB3 ))
      3.700     1.800     1.800 peak  5098 spectrum    1 weight  0.10000E+01 volume  0.10974E-02 ppm1      0.960 ppm2      2.900 CV     1
 OR { 5098}
   (  segid "    " and resid 17   and name HG2%)
   (( segid "    " and resid 21   and name HD3 ))
 OR { 5098}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 18   and name HB3 ))
 ASSI { 5101}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 34   and name HB3 ))
      3.200     1.300     1.300 peak  5101 spectrum    1 weight  0.10000E+01 volume  0.14586E-02 ppm1      3.435 ppm2      2.622 CV     1
 OR { 5101}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 29   and name HB3 ))
 ASSI { 5106}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 29   and name HB3 ))
      4.100     2.100     1.900 peak  5106 spectrum    1 weight  0.10000E+01 volume  0.74564E-03 ppm1      4.551 ppm2      2.607 CV     1
 OR { 5106}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 34   and name HB3 ))
 ASSI { 5125}
   (( segid "    " and resid 34   and name HB3 ))
   (  segid "    " and resid 17   and name HG2%)
      2.700     2.700     3.300 peak  5125 spectrum    1 weight  0.10000E+01 volume  0.18546E-02 ppm1      2.617 ppm2      0.970 CV     1
 OR { 5125}
   (( segid "    " and resid 34   and name HB3 ))
   (  segid "    " and resid 6    and name HG1%)
 ASSI { 5126}
   (( segid "    " and resid 28   and name HD3 ))
   (( segid "    " and resid 28   and name HD2 ))
      1.700     0.400     0.500 peak  5126 spectrum    1 weight  0.10000E+01 volume  0.27140E-01 ppm1      1.583 ppm2      1.677 CV     1
 OR { 5126}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 7    and name HB3 ))
 OR { 5126}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 25   and name HB3 ))
 OR { 5126}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 7    and name HD2 ))
 ASSI { 5127}
   (( segid "    " and resid 38   and name HG2 ))
   (  segid "    " and resid 2    and name HD1%)
      3.100     1.200     1.200 peak  5127 spectrum    1 weight  0.10000E+01 volume  0.13364E-02 ppm1      2.039 ppm2      0.361 CV     1
 OR { 5127}
   (( segid "    " and resid 36   and name HB3 ))
   (  segid "    " and resid 2    and name HD1%)

!Dihedral angle constraints : 22
!
assign (resid  5  and name C ) (resid 6   and name N )
       (resid  6  and name CA) (resid 6   and name C )  1   -120.00   40.00   2
assign (resid  7  and name C ) (resid 8   and name N )
       (resid  8  and name CA) (resid 8   and name C )  1   -120.00   40.00   2
assign (resid  8  and name C ) (resid 9   and name N )
       (resid  9  and name CA) (resid 9   and name C )  1  -120.00   40.00   2
assign (resid  11  and name C ) (resid 12   and name N )
       (resid  12  and name CA) (resid 12   and name C )  1  -65.00   20.00   2
assign (resid  12  and name C ) (resid 13   and name N )
       (resid  13  and name CA) (resid 13   and name C )  1  -65.00   20.00   2
assign (resid  13  and name C ) (resid 14   and name N )
       (resid  14  and name CA) (resid 14   and name C )  1  -65.00   40.00   2
assign (resid  14  and name C ) (resid 15   and name N )
       (resid  15  and name CA) (resid 15   and name C )  1  -65.00   20.00   2
assign (resid  16  and name C ) (resid 17   and name N )
       (resid  17  and name CA) (resid 17   and name C )  1  -65.00   20.00   2
assign (resid  17  and name C ) (resid 18   and name N )
       (resid  18  and name CA) (resid 18   and name C )  1  -65.00   20.00   2
assign (resid  18  and name C ) (resid 19   and name N )
       (resid  19  and name CA) (resid 19   and name C )  1  -65.00   40.00   2
assign (resid  19  and name C ) (resid 20   and name N )
       (resid  20  and name CA) (resid 20   and name C )  1  -65.00   20.00   2
assign (resid  21  and name C ) (resid 22   and name N )
       (resid  22  and name CA) (resid 22   and name C )  1 -120.00   20.00   2
assign (resid  22  and name C ) (resid 23   and name N )
       (resid  23  and name CA) (resid 23   and name C )  1 -120.00   40.00   2
assign (resid  23  and name C ) (resid 24   and name N )
       (resid  24  and name CA) (resid 24   and name C )  1 -120.00   20.00   2
assign (resid  24  and name C ) (resid 25   and name N )
       (resid  25  and name CA) (resid 25   and name C )  1 -120.00   40.00   2
assign (resid  26  and name C ) (resid 27   and name N )
       (resid  27  and name CA) (resid 27   and name C )  1 -120.00   20.00   2
assign (resid  27  and name C ) (resid 28   and name N )
       (resid  28  and name CA) (resid 28   and name C )  1 -120.00   40.00   2
assign (resid  28  and name C ) (resid 29   and name N )
       (resid  29  and name CA) (resid 29   and name C )  1 -120.00   40.00   2
assign (resid  29  and name C ) (resid 30   and name N )
       (resid  30  and name CA) (resid 30   and name C )  1 -120.00   20.00   2
assign (resid  32  and name C ) (resid 33   and name N )
       (resid  33  and name CA) (resid 33   and name C )  1 -120.00   20.00   2
assign (resid  34  and name C ) (resid 35   and name N )
       (resid  35  and name CA) (resid 35   and name C )  1 -120.00   20.00   2s
assign (resid  35  and name C ) (resid 36   and name N )
       (resid  36  and name CA) (resid 36   and name C )  1 -120.00   20.00   2

! Hydrogen bonds : 3
!
assign ( residue   28 and name HN  ) ( residue   35  and name O )  1.80  0.00  0.50
assign ( residue   28 and name N  )  ( residue   35  and name O )  2.80  0.00  0.50
!
assign ( residue   35 and name HN  ) ( residue   28  and name O )  1.80  0.00  0.50
assign ( residue   35 and name N  )  ( residue   28  and name O )  2.80  0.00  0.50
!
assign ( residue   37 and name HN  ) ( residue   26  and name O )  1.80  0.00  0.50
assign ( residue   37 and name N  )  ( residue   26  and name O )  2.80  0.00  0.50
!

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HN   PCA   1           H        PCA   1  -1.257 -11.428  -0.207
    2    HA   PCA   1           HA       PCA   1  -2.828  -9.637   0.807
    3   1HB   PCA   1          1HB       PCA   1  -1.764  -8.609   2.526
    4   2HB   PCA   1          2HB       PCA   1  -0.622  -7.877   1.386
    5   1HG   PCA   1          1HG       PCA   1  -0.164  -9.968   3.259
    6   2HG   PCA   1          2HG       PCA   1   0.976  -9.265   2.089
    7    H    ILE   2           H        ILE   2  -2.227  -7.008   0.241
    8    HA   ILE   2           HA       ILE   2  -2.256  -7.075  -2.654
    9    HB   ILE   2           HB       ILE   2  -2.689  -4.830  -0.689
   10   1HG1  ILE   2          1HG1      ILE   2  -4.597  -6.288  -2.529
   11   2HG1  ILE   2          2HG1      ILE   2  -4.457  -6.543  -0.793
   12   1HG2  ILE   2          1HG2      ILE   2  -2.918  -4.746  -3.694
   13   2HG2  ILE   2          2HG2      ILE   2  -3.418  -3.464  -2.588
   14   3HG2  ILE   2          3HG2      ILE   2  -1.716  -3.908  -2.711
   15   1HD1  ILE   2          1HD1      ILE   2  -5.183  -4.249  -0.396
   16   2HD1  ILE   2          2HD1      ILE   2  -5.319  -3.992  -2.135
   17   3HD1  ILE   2          3HD1      ILE   2  -6.371  -5.156  -1.331
   18    H    ASP   3           H        ASP   3  -0.285  -7.324  -3.496
   19    HA   ASP   3           HA       ASP   3   1.768  -5.350  -2.765
   20   1HB   ASP   3          1HB       ASP   3   2.597  -7.549  -2.235
   21   2HB   ASP   3          2HB       ASP   3   2.096  -8.176  -3.804
   22    H    THR   4           H        THR   4   1.491  -3.770  -4.194
   23    HA   THR   4           HA       THR   4   0.778  -4.373  -6.942
   24    HB   THR   4           HB       THR   4   0.732  -1.832  -7.113
   25    HG1  THR   4           1HG      THR   4   1.748  -0.971  -5.442
   26   1HG2  THR   4          1HG2      THR   4  -1.295  -3.175  -6.821
   27   2HG2  THR   4          2HG2      THR   4  -1.407  -1.659  -5.927
   28   3HG2  THR   4          3HG2      THR   4  -1.056  -3.163  -5.075
   29    H    ASN   5           H        ASN   5   3.580  -4.426  -5.360
   30    HA   ASN   5           HA       ASN   5   5.781  -4.127  -5.834
   31   1HB   ASN   5          1HB       ASN   5   4.983  -5.513  -7.816
   32   2HB   ASN   5          2HB       ASN   5   4.926  -4.014  -8.735
   33   1HD2  ASN   5          1HD2      ASN   5   6.807  -3.105  -9.465
   34   2HD2  ASN   5          2HD2      ASN   5   8.350  -3.877  -9.325
   35    H    VAL   6           H        VAL   6   4.784  -1.947  -4.929
   36    HA   VAL   6           HA       VAL   6   5.721   0.239  -6.666
   37    HB   VAL   6           HB       VAL   6   3.372   0.285  -4.759
   38   1HG1  VAL   6          1HG1      VAL   6   4.589   2.385  -4.626
   39   2HG1  VAL   6          2HG1      VAL   6   4.575   2.526  -6.384
   40   3HG1  VAL   6          3HG1      VAL   6   3.064   2.622  -5.480
   41   1HG2  VAL   6          1HG2      VAL   6   3.504   0.633  -7.752
   42   2HG2  VAL   6          2HG2      VAL   6   2.851  -0.761  -6.889
   43   3HG2  VAL   6          3HG2      VAL   6   2.056   0.808  -6.759
   44    H    LYS   7           H        LYS   7   7.428   1.180  -5.822
   45    HA   LYS   7           HA       LYS   7   8.413   0.608  -3.240
   46   1HB   LYS   7          1HB       LYS   7   9.140   2.749  -5.246
   47   2HB   LYS   7          2HB       LYS   7   9.986   2.558  -3.719
   48   1HG   LYS   7          1HG       LYS   7  11.223   1.511  -5.514
   49   2HG   LYS   7          2HG       LYS   7  10.650   0.291  -4.379
   50   1HD   LYS   7          1HD       LYS   7   8.922  -0.389  -5.867
   51   2HD   LYS   7          2HD       LYS   7   9.205   0.992  -6.924
   52   1HE   LYS   7          1HE       LYS   7  11.189  -1.217  -6.420
   53   2HE   LYS   7          2HE       LYS   7  10.104  -1.137  -7.808
   54   1HZ   LYS   7          1HZ       LYS   7  11.145   1.108  -8.253
   55   2HZ   LYS   7          2HZ       LYS   7  12.121  -0.251  -8.540
   56   3HZ   LYS   7          3HZ       LYS   7  12.348   0.673  -7.133
   57    H    CYS   8           H        CYS   8   8.594   1.997  -1.400
   58    HA   CYS   8           HA       CYS   8   6.162   3.542  -1.121
   59   1HB   CYS   8          1HB       CYS   8   6.645   3.544   1.275
   60   2HB   CYS   8          2HB       CYS   8   6.702   1.916   0.614
   61    H    SER   9           H        SER   9   6.230   5.551  -1.802
   62    HA   SER   9           HA       SER   9   8.471   7.296  -1.218
   63   1HB   SER   9          1HB       SER   9   7.251   7.608  -3.316
   64   2HB   SER   9          2HB       SER   9   5.737   7.802  -2.439
   65    HG   SER   9           HG       SER   9   7.984   9.546  -2.432
   66    H    GLY  10           H        GLY  10   7.311   5.990   0.970
   67   1HA   GLY  10          1HA       GLY  10   6.869   6.931   3.165
   68   2HA   GLY  10          2HA       GLY  10   5.826   8.111   2.374
   69    H    SER  11           H        SER  11   5.608   5.601   4.344
   70    HA   SER  11           HA       SER  11   3.821   3.799   3.139
   71   1HB   SER  11          1HB       SER  11   3.957   4.604   6.058
   72   2HB   SER  11          2HB       SER  11   3.222   3.135   5.415
   73    HG   SER  11           HG       SER  11   5.691   3.436   6.180
   74    H    SER  12           H        SER  12   3.385   7.045   4.142
   75    HA   SER  12           HA       SER  12   0.571   6.809   4.681
   76   1HB   SER  12          1HB       SER  12   2.194   9.329   4.299
   77   2HB   SER  12          2HB       SER  12   0.630   9.180   5.103
   78    HG   SER  12           HG       SER  12   3.179   8.371   5.970
   79    H    LYS  13           H        LYS  13   2.367   6.938   1.859
   80    HA   LYS  13           HA       LYS  13   0.384   8.357   0.300
   81   1HB   LYS  13          1HB       LYS  13   2.768   8.379  -0.376
   82   2HB   LYS  13          2HB       LYS  13   2.696   6.639  -0.622
   83   1HG   LYS  13          1HG       LYS  13   1.145   6.892  -2.425
   84   2HG   LYS  13          2HG       LYS  13   0.997   8.620  -2.115
   85   1HD   LYS  13          1HD       LYS  13   3.679   7.452  -2.735
   86   2HD   LYS  13          2HD       LYS  13   2.535   7.749  -4.042
   87   1HE   LYS  13          1HE       LYS  13   3.786   9.705  -3.969
   88   2HE   LYS  13          2HE       LYS  13   2.336  10.114  -3.058
   89   1HZ   LYS  13          1HZ       LYS  13   4.119  10.939  -1.818
   90   2HZ   LYS  13          2HZ       LYS  13   5.045   9.537  -2.017
   91   3HZ   LYS  13          3HZ       LYS  13   3.681   9.513  -1.011
   92    H    CYS  14           H        CYS  14   1.503   5.023   0.647
   93    HA   CYS  14           HA       CYS  14  -0.355   3.866  -1.104
   94   1HB   CYS  14          1HB       CYS  14   0.175   1.864   0.666
   95   2HB   CYS  14          2HB       CYS  14   1.192   2.290  -0.708
   96    H    VAL  15           H        VAL  15  -0.459   4.291   2.425
   97    HA   VAL  15           HA       VAL  15  -2.743   2.764   2.884
   98    HB   VAL  15           HB       VAL  15  -1.304   3.481   4.697
   99   1HG1  VAL  15          1HG1      VAL  15  -2.364   6.242   4.146
  100   2HG1  VAL  15          2HG1      VAL  15  -1.354   5.786   5.519
  101   3HG1  VAL  15          3HG1      VAL  15  -0.715   5.675   3.877
  102   1HG2  VAL  15          1HG2      VAL  15  -3.005   4.150   6.323
  103   2HG2  VAL  15          2HG2      VAL  15  -4.105   4.554   5.006
  104   3HG2  VAL  15          3HG2      VAL  15  -3.598   2.882   5.250
  105    H    LYS  16           H        LYS  16  -2.433   5.998   1.642
  106    HA   LYS  16           HA       LYS  16  -5.261   6.554   1.990
  107   1HB   LYS  16          1HB       LYS  16  -3.665   8.371   2.319
  108   2HB   LYS  16          2HB       LYS  16  -3.067   8.167   0.679
  109   1HG   LYS  16          1HG       LYS  16  -5.267   8.807  -0.193
  110   2HG   LYS  16          2HG       LYS  16  -5.842   9.041   1.458
  111   1HD   LYS  16          1HD       LYS  16  -5.219  11.170   0.454
  112   2HD   LYS  16          2HD       LYS  16  -4.144  10.777   1.797
  113   1HE   LYS  16          1HE       LYS  16  -2.456   9.981   0.218
  114   2HE   LYS  16          2HE       LYS  16  -3.535  10.345  -1.129
  115   1HZ   LYS  16          1HZ       LYS  16  -2.578  12.383   0.805
  116   2HZ   LYS  16          2HZ       LYS  16  -3.404  12.658  -0.649
  117   3HZ   LYS  16          3HZ       LYS  16  -1.814  12.063  -0.673
  118    H    ILE  17           H        ILE  17  -2.989   5.891  -0.661
  119    HA   ILE  17           HA       ILE  17  -5.053   6.329  -2.630
  120    HB   ILE  17           HB       ILE  17  -2.696   6.950  -3.054
  121   1HG1  ILE  17          1HG1      ILE  17  -2.744   6.379  -5.370
  122   2HG1  ILE  17          2HG1      ILE  17  -3.639   4.895  -5.049
  123   1HG2  ILE  17          1HG2      ILE  17  -1.094   5.218  -3.735
  124   2HG2  ILE  17          2HG2      ILE  17  -1.549   5.093  -2.035
  125   3HG2  ILE  17          3HG2      ILE  17  -2.244   3.984  -3.218
  126   1HD1  ILE  17          1HD1      ILE  17  -4.717   7.674  -4.632
  127   2HD1  ILE  17          2HD1      ILE  17  -5.030   6.665  -6.047
  128   3HD1  ILE  17          3HD1      ILE  17  -5.602   6.156  -4.453
  129    H    CYS  18           H        CYS  18  -3.589   3.604  -1.054
  130    HA   CYS  18           HA       CYS  18  -4.453   1.621  -2.880
  131   1HB   CYS  18          1HB       CYS  18  -2.742   1.390  -0.983
  132   2HB   CYS  18          2HB       CYS  18  -4.119   1.149   0.077
  133    H    ILE  19           H        ILE  19  -6.075   3.464  -0.489
  134    HA   ILE  19           HA       ILE  19  -8.373   1.888  -0.116
  135    HB   ILE  19           HB       ILE  19  -8.159   4.906  -0.109
  136   1HG1  ILE  19          1HG1      ILE  19  -7.990   2.935   2.180
  137   2HG1  ILE  19          2HG1      ILE  19  -6.633   3.825   1.499
  138   1HG2  ILE  19          1HG2      ILE  19 -10.467   4.182  -0.317
  139   2HG2  ILE  19          2HG2      ILE  19 -10.268   3.088   1.053
  140   3HG2  ILE  19          3HG2      ILE  19 -10.178   4.831   1.298
  141   1HD1  ILE  19          1HD1      ILE  19  -7.683   5.925   2.191
  142   2HD1  ILE  19          2HD1      ILE  19  -9.013   5.016   2.907
  143   3HD1  ILE  19          3HD1      ILE  19  -7.380   4.850   3.556
  144    H    ASP  20           H        ASP  20  -7.438   4.203  -2.573
  145    HA   ASP  20           HA       ASP  20 -10.016   4.226  -3.844
  146   1HB   ASP  20          1HB       ASP  20  -8.386   6.148  -3.876
  147   2HB   ASP  20          2HB       ASP  20  -7.375   5.192  -4.956
  148    H    ARG  21           H        ARG  21  -7.135   2.373  -4.006
  149    HA   ARG  21           HA       ARG  21  -7.368   1.321  -6.609
  150   1HB   ARG  21          1HB       ARG  21  -6.055   0.226  -4.125
  151   2HB   ARG  21          2HB       ARG  21  -5.892  -0.479  -5.716
  152   1HG   ARG  21          1HG       ARG  21  -4.810   1.535  -6.532
  153   2HG   ARG  21          2HG       ARG  21  -5.013   2.289  -4.943
  154   1HD   ARG  21          1HD       ARG  21  -3.636   0.568  -3.929
  155   2HD   ARG  21          2HD       ARG  21  -3.467  -0.246  -5.484
  156    HE   ARG  21           HE       ARG  21  -2.524   2.305  -5.893
  157   1HH1  ARG  21          2HH1      ARG  21  -1.755  -0.362  -3.760
  158   2HH1  ARG  21          1HH1      ARG  21  -0.073   0.031  -3.653
  159   1HH2  ARG  21          2HH2      ARG  21  -0.313   2.864  -5.729
  160   2HH2  ARG  21          1HH2      ARG  21   0.751   1.878  -4.772
  161    H    TYR  22           H        TYR  22  -7.992  -0.309  -3.491
  162    HA   TYR  22           HA       TYR  22  -9.805  -2.097  -4.966
  163   1HB   TYR  22          1HB       TYR  22  -7.931  -2.770  -2.692
  164   2HB   TYR  22          2HB       TYR  22  -9.112  -3.884  -3.369
  165    HD1  TYR  22           1HD      TYR  22  -8.892  -4.527  -5.813
  166    HD2  TYR  22           2HD      TYR  22  -5.811  -2.504  -3.690
  167    HE1  TYR  22           1HE      TYR  22  -7.266  -5.222  -7.521
  168    HE2  TYR  22           2HE      TYR  22  -4.176  -3.189  -5.395
  169    HH   TYR  22           HH       TYR  22  -3.937  -5.014  -7.084
  170    H    ASN  23           H        ASN  23  -9.284  -2.260  -1.523
  171    HA   ASN  23           HA       ASN  23 -11.767  -0.952  -0.855
  172   1HB   ASN  23          1HB       ASN  23 -12.905  -2.962  -0.046
  173   2HB   ASN  23          2HB       ASN  23 -12.560  -3.111  -1.766
  174   1HD2  ASN  23          1HD2      ASN  23 -12.992  -5.118   0.400
  175   2HD2  ASN  23          2HD2      ASN  23 -11.614  -6.172   0.311
  176    H    THR  24           H        THR  24  -8.832  -1.130  -0.098
  177    HA   THR  24           HA       THR  24  -9.081  -2.115   2.651
  178    HB   THR  24           HB       THR  24  -7.324  -3.228   1.403
  179    HG1  THR  24           1HG      THR  24  -6.023  -3.135   3.082
  180   1HG2  THR  24          1HG2      THR  24  -5.387  -2.007   0.532
  181   2HG2  THR  24          2HG2      THR  24  -6.143  -0.480   0.986
  182   3HG2  THR  24          3HG2      THR  24  -6.876  -1.493  -0.260
  183    H    ARG  25           H        ARG  25  -7.919  -0.936   4.298
  184    HA   ARG  25           HA       ARG  25  -7.766   1.956   3.787
  185   1HB   ARG  25          1HB       ARG  25  -8.422   2.044   6.334
  186   2HB   ARG  25          2HB       ARG  25  -9.662   1.894   5.098
  187   1HG   ARG  25          1HG       ARG  25 -10.082   0.404   6.978
  188   2HG   ARG  25          2HG       ARG  25  -9.797  -0.504   5.496
  189   1HD   ARG  25          1HD       ARG  25  -7.381  -0.717   6.280
  190   2HD   ARG  25          2HD       ARG  25  -7.958  -0.138   7.847
  191    HE   ARG  25           HE       ARG  25  -9.624  -2.133   7.503
  192   1HH1  ARG  25          2HH1      ARG  25  -6.171  -2.020   6.903
  193   2HH1  ARG  25          1HH1      ARG  25  -5.966  -3.742   6.982
  194   1HH2  ARG  25          2HH2      ARG  25  -9.361  -4.389   7.622
  195   2HH2  ARG  25          1HH2      ARG  25  -7.786  -5.099   7.392
  196    H    GLY  26           H        GLY  26  -5.858  -0.510   4.119
  197   1HA   GLY  26          1HA       GLY  26  -4.001   0.887   5.915
  198   2HA   GLY  26          2HA       GLY  26  -4.405  -0.786   6.266
  199    H    ALA  27           H        ALA  27  -2.196   1.164   4.860
  200    HA   ALA  27           HA       ALA  27  -0.958  -1.141   3.564
  201   1HB   ALA  27          1HB       ALA  27  -1.955   0.116   1.728
  202   2HB   ALA  27          2HB       ALA  27  -1.161   1.590   2.285
  203   3HB   ALA  27          3HB       ALA  27  -0.196   0.246   1.676
  204    H    LYS  28           H        LYS  28   1.293  -1.134   3.714
  205    HA   LYS  28           HA       LYS  28   2.524   1.081   5.185
  206   1HB   LYS  28          1HB       LYS  28   1.748  -0.490   6.892
  207   2HB   LYS  28          2HB       LYS  28   2.564  -1.812   6.072
  208   1HG   LYS  28          1HG       LYS  28   4.726  -0.646   6.479
  209   2HG   LYS  28          2HG       LYS  28   3.845   0.541   7.441
  210   1HD   LYS  28          1HD       LYS  28   3.122  -1.187   8.974
  211   2HD   LYS  28          2HD       LYS  28   3.896  -2.425   7.981
  212   1HE   LYS  28          1HE       LYS  28   6.078  -1.365   8.399
  213   2HE   LYS  28          2HE       LYS  28   5.286  -0.167   9.424
  214   1HZ   LYS  28          1HZ       LYS  28   6.249  -1.919  10.760
  215   2HZ   LYS  28          2HZ       LYS  28   5.381  -3.102   9.912
  216   3HZ   LYS  28          3HZ       LYS  28   4.562  -1.981  10.878
  217    H    CYS  29           H        CYS  29   4.685   1.352   4.781
  218    HA   CYS  29           HA       CYS  29   5.900  -0.307   2.741
  219   1HB   CYS  29          1HB       CYS  29   6.312   2.060   2.569
  220   2HB   CYS  29          2HB       CYS  29   6.866   2.138   4.238
  221    H    ILE  30           H        ILE  30   6.771  -2.185   3.342
  222    HA   ILE  30           HA       ILE  30   7.950  -2.336   6.038
  223    HB   ILE  30           HB       ILE  30   5.924  -3.645   5.959
  224   1HG1  ILE  30          1HG1      ILE  30   6.815  -5.878   6.545
  225   2HG1  ILE  30          2HG1      ILE  30   8.368  -5.420   5.855
  226   1HG2  ILE  30          1HG2      ILE  30   7.142  -5.152   3.655
  227   2HG2  ILE  30          2HG2      ILE  30   5.599  -5.502   4.430
  228   3HG2  ILE  30          3HG2      ILE  30   5.814  -3.995   3.537
  229   1HD1  ILE  30          1HD1      ILE  30   8.605  -3.676   7.534
  230   2HD1  ILE  30          2HD1      ILE  30   7.034  -4.106   8.211
  231   3HD1  ILE  30          3HD1      ILE  30   8.371  -5.255   8.284
  232    H    ASN  31           H        ASN  31   8.176  -3.631   2.742
  233    HA   ASN  31           HA       ASN  31  10.924  -4.494   3.323
  234   1HB   ASN  31          1HB       ASN  31  10.673  -5.997   1.378
  235   2HB   ASN  31          2HB       ASN  31   9.450  -6.305   2.603
  236   1HD2  ASN  31          1HD2      ASN  31   9.320  -7.042  -0.154
  237   2HD2  ASN  31          2HD2      ASN  31   7.954  -6.226  -0.831
  238    H    GLY  32           H        GLY  32   9.843  -1.785   2.529
  239   1HA   GLY  32          1HA       GLY  32  11.185  -0.121   1.470
  240   2HA   GLY  32          2HA       GLY  32  11.750  -1.341   0.337
  241    H    ARG  33           H        ARG  33   8.640  -2.011   0.510
  242    HA   ARG  33           HA       ARG  33   7.784   0.052  -1.385
  243   1HB   ARG  33          1HB       ARG  33   6.853  -1.510  -2.868
  244   2HB   ARG  33          2HB       ARG  33   8.466  -2.107  -2.505
  245   1HG   ARG  33          1HG       ARG  33   7.594  -3.737  -0.996
  246   2HG   ARG  33          2HG       ARG  33   5.967  -3.070  -1.152
  247   1HD   ARG  33          1HD       ARG  33   6.111  -5.000  -2.512
  248   2HD   ARG  33          2HD       ARG  33   6.047  -3.597  -3.570
  249    HE   ARG  33           HE       ARG  33   8.727  -4.134  -3.204
  250   1HH1  ARG  33          2HH1      ARG  33   5.950  -5.920  -4.381
  251   2HH1  ARG  33          1HH1      ARG  33   6.875  -6.851  -5.525
  252   1HH2  ARG  33          2HH2      ARG  33   9.938  -5.327  -4.727
  253   2HH2  ARG  33          1HH2      ARG  33   9.144  -6.490  -5.740
  254    H    CYS  34           H        CYS  34   5.361  -0.043  -1.700
  255    HA   CYS  34           HA       CYS  34   4.176  -0.103   0.954
  256   1HB   CYS  34          1HB       CYS  34   3.430   1.139  -1.665
  257   2HB   CYS  34          2HB       CYS  34   2.200   0.917  -0.424
  258    H    THR  35           H        THR  35   3.287  -1.900   1.613
  259    HA   THR  35           HA       THR  35   1.775  -3.545  -0.309
  260    HB   THR  35           HB       THR  35   2.936  -4.408   2.353
  261    HG1  THR  35           1HG      THR  35   4.569  -3.919   0.785
  262   1HG2  THR  35          1HG2      THR  35   2.525  -6.682   1.472
  263   2HG2  THR  35          2HG2      THR  35   1.738  -5.971   0.063
  264   3HG2  THR  35          3HG2      THR  35   1.037  -5.756   1.668
  265    H    CYS  36           H        CYS  36  -0.372  -3.934   0.115
  266    HA   CYS  36           HA       CYS  36  -1.498  -2.409   2.357
  267   1HB   CYS  36          1HB       CYS  36  -3.000  -3.578   0.019
  268   2HB   CYS  36          2HB       CYS  36  -3.549  -2.342   1.144
  269    H    TYR  37           H        TYR  37  -2.524  -3.354   3.997
  270    HA   TYR  37           HA       TYR  37  -2.879  -6.279   3.877
  271   1HB   TYR  37          1HB       TYR  37  -2.040  -4.616   6.261
  272   2HB   TYR  37          2HB       TYR  37  -2.300  -6.356   6.266
  273    HD1  TYR  37           1HD      TYR  37  -0.686  -7.856   5.236
  274    HD2  TYR  37           2HD      TYR  37  -0.043  -3.648   5.259
  275    HE1  TYR  37           1HE      TYR  37   1.672  -8.224   4.653
  276    HE2  TYR  37           2HE      TYR  37   2.321  -4.005   4.675
  277    HH   TYR  37           HH       TYR  37   3.519  -6.959   3.566
  278    HA   PRO  38           HA       PRO  38  -6.981  -4.522   4.966
  279   1HB   PRO  38          1HB       PRO  38  -8.062  -6.545   3.179
  280   2HB   PRO  38          2HB       PRO  38  -8.152  -4.787   3.041
  281   1HG   PRO  38          1HG       PRO  38  -6.696  -6.300   1.332
  282   2HG   PRO  38          2HG       PRO  38  -6.221  -4.650   1.794
  283   1HD   PRO  38          1HD       PRO  38  -5.228  -7.270   2.896
  284   2HD   PRO  38          2HD       PRO  38  -4.294  -5.850   2.366
  Start of MODEL    2
    1    HN   PCA   1           H        PCA   1  -3.972 -10.198   1.620
    2    HA   PCA   1           HA       PCA   1  -3.078  -7.816   2.071
    3   1HB   PCA   1          1HB       PCA   1  -0.963  -7.928   2.876
    4   2HB   PCA   1          2HB       PCA   1  -0.394  -8.607   1.343
    5   1HG   PCA   1          1HG       PCA   1  -0.763  -9.918   3.847
    6   2HG   PCA   1          2HG       PCA   1  -0.185 -10.602   2.311
    7    H    ILE   2           H        ILE   2  -2.266  -6.374   0.446
    8    HA   ILE   2           HA       ILE   2  -2.136  -7.503  -2.275
    9    HB   ILE   2           HB       ILE   2  -3.488  -4.946  -1.376
   10   1HG1  ILE   2          1HG1      ILE   2  -4.539  -7.359  -2.868
   11   2HG1  ILE   2          2HG1      ILE   2  -4.846  -6.984  -1.177
   12   1HG2  ILE   2          1HG2      ILE   2  -3.952  -4.540  -3.777
   13   2HG2  ILE   2          2HG2      ILE   2  -2.240  -4.421  -3.365
   14   3HG2  ILE   2          3HG2      ILE   2  -2.857  -5.862  -4.179
   15   1HD1  ILE   2          1HD1      ILE   2  -6.055  -4.977  -1.833
   16   2HD1  ILE   2          2HD1      ILE   2  -5.724  -5.321  -3.530
   17   3HD1  ILE   2          3HD1      ILE   2  -6.743  -6.414  -2.592
   18    H    ASP   3           H        ASP   3  -0.248  -7.047  -3.258
   19    HA   ASP   3           HA       ASP   3   1.401  -4.914  -2.090
   20   1HB   ASP   3          1HB       ASP   3   2.216  -7.373  -2.324
   21   2HB   ASP   3          2HB       ASP   3   2.385  -6.992  -4.034
   22    H    THR   4           H        THR   4   1.675  -3.095  -3.215
   23    HA   THR   4           HA       THR   4   0.444  -2.792  -5.785
   24    HB   THR   4           HB       THR   4   1.499  -0.466  -5.634
   25    HG1  THR   4           1HG      THR   4   1.899  -0.346  -3.059
   26   1HG2  THR   4          1HG2      THR   4  -0.348  -1.429  -3.436
   27   2HG2  THR   4          2HG2      THR   4  -0.827  -0.866  -5.038
   28   3HG2  THR   4          3HG2      THR   4  -0.104   0.260  -3.887
   29    H    ASN   5           H        ASN   5   3.575  -3.517  -4.580
   30    HA   ASN   5           HA       ASN   5   5.509  -4.127  -5.576
   31   1HB   ASN   5          1HB       ASN   5   3.687  -4.243  -7.972
   32   2HB   ASN   5          2HB       ASN   5   5.407  -4.605  -8.108
   33   1HD2  ASN   5          1HD2      ASN   5   5.427  -5.805  -5.395
   34   2HD2  ASN   5          2HD2      ASN   5   4.680  -7.351  -5.578
   35    H    VAL   6           H        VAL   6   4.959  -1.603  -4.979
   36    HA   VAL   6           HA       VAL   6   6.342  -0.004  -6.999
   37    HB   VAL   6           HB       VAL   6   3.655   0.441  -5.762
   38   1HG1  VAL   6          1HG1      VAL   6   3.724   2.802  -6.346
   39   2HG1  VAL   6          2HG1      VAL   6   4.896   2.399  -5.092
   40   3HG1  VAL   6          3HG1      VAL   6   5.434   2.652  -6.751
   41   1HG2  VAL   6          1HG2      VAL   6   4.781   0.869  -8.521
   42   2HG2  VAL   6          2HG2      VAL   6   3.722  -0.440  -8.001
   43   3HG2  VAL   6          3HG2      VAL   6   3.119   1.217  -8.043
   44    H    LYS   7           H        LYS   7   8.148   0.703  -6.011
   45    HA   LYS   7           HA       LYS   7   8.512   0.782  -3.230
   46   1HB   LYS   7          1HB       LYS   7  10.634   1.729  -3.611
   47   2HB   LYS   7          2HB       LYS   7  10.335   0.704  -5.003
   48   1HG   LYS   7          1HG       LYS   7   9.807   3.659  -5.035
   49   2HG   LYS   7          2HG       LYS   7  11.380   2.969  -5.434
   50   1HD   LYS   7          1HD       LYS   7  10.385   1.709  -7.260
   51   2HD   LYS   7          2HD       LYS   7   8.784   2.314  -6.826
   52   1HE   LYS   7          1HE       LYS   7  11.102   4.056  -7.645
   53   2HE   LYS   7          2HE       LYS   7   9.826   3.516  -8.737
   54   1HZ   LYS   7          1HZ       LYS   7   9.480   5.773  -7.808
   55   2HZ   LYS   7          2HZ       LYS   7   9.333   5.090  -6.266
   56   3HZ   LYS   7          3HZ       LYS   7   8.211   4.700  -7.473
   57    H    CYS   8           H        CYS   8   8.586   2.479  -1.759
   58    HA   CYS   8           HA       CYS   8   6.936   4.780  -2.574
   59   1HB   CYS   8          1HB       CYS   8   5.984   4.627  -0.228
   60   2HB   CYS   8          2HB       CYS   8   5.537   3.314  -1.318
   61    H    SER   9           H        SER   9   7.169   6.700  -1.284
   62    HA   SER   9           HA       SER   9   9.822   7.131  -0.206
   63   1HB   SER   9          1HB       SER   9   8.878   9.475   0.149
   64   2HB   SER   9          2HB       SER   9   8.931   8.920  -1.526
   65    HG   SER   9           HG       SER   9   6.854   9.204  -1.584
   66    H    GLY  10           H        GLY  10   6.473   7.339   0.902
   67   1HA   GLY  10          1HA       GLY  10   7.342   6.422   3.558
   68   2HA   GLY  10          2HA       GLY  10   6.261   7.807   3.419
   69    H    SER  11           H        SER  11   5.489   5.519   4.815
   70    HA   SER  11           HA       SER  11   4.185   3.578   3.266
   71   1HB   SER  11          1HB       SER  11   3.505   4.453   6.084
   72   2HB   SER  11          2HB       SER  11   3.071   2.921   5.328
   73    HG   SER  11           HG       SER  11   5.480   3.758   6.403
   74    H    SER  12           H        SER  12   3.342   6.801   3.957
   75    HA   SER  12           HA       SER  12   0.537   6.694   3.967
   76   1HB   SER  12          1HB       SER  12   0.777   9.150   3.337
   77   2HB   SER  12          2HB       SER  12   1.607   8.638   4.808
   78    HG   SER  12           HG       SER  12   2.640   9.517   2.397
   79    H    LYS  13           H        LYS  13   2.739   6.225   1.419
   80    HA   LYS  13           HA       LYS  13   1.361   7.353  -0.748
   81   1HB   LYS  13          1HB       LYS  13   3.672   5.771  -0.358
   82   2HB   LYS  13          2HB       LYS  13   2.682   4.935  -1.548
   83   1HG   LYS  13          1HG       LYS  13   3.635   7.789  -1.706
   84   2HG   LYS  13          2HG       LYS  13   4.257   6.422  -2.632
   85   1HD   LYS  13          1HD       LYS  13   2.072   6.152  -3.701
   86   2HD   LYS  13          2HD       LYS  13   1.444   7.513  -2.767
   87   1HE   LYS  13          1HE       LYS  13   3.132   8.972  -3.817
   88   2HE   LYS  13          2HE       LYS  13   3.682   7.608  -4.788
   89   1HZ   LYS  13          1HZ       LYS  13   1.417   7.480  -5.732
   90   2HZ   LYS  13          2HZ       LYS  13   2.200   8.944  -6.077
   91   3HZ   LYS  13          3HZ       LYS  13   1.002   8.891  -4.881
   92    H    CYS  14           H        CYS  14   1.325   3.988   0.439
   93    HA   CYS  14           HA       CYS  14  -0.664   3.288  -1.520
   94   1HB   CYS  14          1HB       CYS  14   0.903   1.783   0.512
   95   2HB   CYS  14          2HB       CYS  14  -0.565   1.064  -0.148
   96    H    VAL  15           H        VAL  15  -0.596   3.732   1.984
   97    HA   VAL  15           HA       VAL  15  -2.895   2.379   2.667
   98    HB   VAL  15           HB       VAL  15  -1.472   3.137   4.388
   99   1HG1  VAL  15          1HG1      VAL  15  -0.605   5.073   3.188
  100   2HG1  VAL  15          2HG1      VAL  15  -2.090   5.954   3.547
  101   3HG1  VAL  15          3HG1      VAL  15  -1.022   5.458   4.862
  102   1HG2  VAL  15          1HG2      VAL  15  -3.815   3.014   5.047
  103   2HG2  VAL  15          2HG2      VAL  15  -2.991   4.306   5.922
  104   3HG2  VAL  15          3HG2      VAL  15  -4.052   4.695   4.569
  105    H    LYS  16           H        LYS  16  -2.647   5.609   1.284
  106    HA   LYS  16           HA       LYS  16  -5.481   6.087   1.627
  107   1HB   LYS  16          1HB       LYS  16  -3.305   7.750   1.375
  108   2HB   LYS  16          2HB       LYS  16  -4.025   7.841  -0.226
  109   1HG   LYS  16          1HG       LYS  16  -5.392   8.450   2.390
  110   2HG   LYS  16          2HG       LYS  16  -4.859   9.618   1.183
  111   1HD   LYS  16          1HD       LYS  16  -6.946   7.486   0.727
  112   2HD   LYS  16          2HD       LYS  16  -7.291   9.176   1.094
  113   1HE   LYS  16          1HE       LYS  16  -6.129   9.852  -0.957
  114   2HE   LYS  16          2HE       LYS  16  -5.793   8.160  -1.322
  115   1HZ   LYS  16          1HZ       LYS  16  -8.459   9.466  -1.200
  116   2HZ   LYS  16          2HZ       LYS  16  -8.233   7.794  -1.350
  117   3HZ   LYS  16          3HZ       LYS  16  -7.686   8.837  -2.572
  118    H    ILE  17           H        ILE  17  -3.242   5.364  -1.048
  119    HA   ILE  17           HA       ILE  17  -5.310   5.724  -3.010
  120    HB   ILE  17           HB       ILE  17  -2.893   6.221  -3.427
  121   1HG1  ILE  17          1HG1      ILE  17  -3.024   5.664  -5.745
  122   2HG1  ILE  17          2HG1      ILE  17  -4.045   4.265  -5.413
  123   1HG2  ILE  17          1HG2      ILE  17  -1.439   4.380  -4.157
  124   2HG2  ILE  17          2HG2      ILE  17  -1.877   4.256  -2.453
  125   3HG2  ILE  17          3HG2      ILE  17  -2.673   3.228  -3.645
  126   1HD1  ILE  17          1HD1      ILE  17  -5.846   5.751  -4.702
  127   2HD1  ILE  17          2HD1      ILE  17  -4.824   7.148  -5.056
  128   3HD1  ILE  17          3HD1      ILE  17  -5.336   6.079  -6.363
  129    H    CYS  18           H        CYS  18  -3.904   3.019  -1.340
  130    HA   CYS  18           HA       CYS  18  -4.891   0.978  -3.012
  131   1HB   CYS  18          1HB       CYS  18  -3.556   1.172  -0.478
  132   2HB   CYS  18          2HB       CYS  18  -4.845  -0.016  -0.367
  133    H    ILE  19           H        ILE  19  -6.495   3.111  -0.891
  134    HA   ILE  19           HA       ILE  19  -8.848   1.454  -0.601
  135    HB   ILE  19           HB       ILE  19  -8.572   4.402  -0.005
  136   1HG1  ILE  19          1HG1      ILE  19  -8.226   2.073   1.897
  137   2HG1  ILE  19          2HG1      ILE  19  -6.907   3.044   1.247
  138   1HG2  ILE  19          1HG2      ILE  19 -10.539   2.345   1.003
  139   2HG2  ILE  19          2HG2      ILE  19 -10.483   4.044   1.478
  140   3HG2  ILE  19          3HG2      ILE  19 -10.877   3.606  -0.186
  141   1HD1  ILE  19          1HD1      ILE  19  -7.822   5.018   2.342
  142   2HD1  ILE  19          2HD1      ILE  19  -9.140   4.044   2.999
  143   3HD1  ILE  19          3HD1      ILE  19  -7.478   3.732   3.501
  144    H    ASP  20           H        ASP  20  -7.567   3.776  -2.785
  145    HA   ASP  20           HA       ASP  20 -10.144   4.535  -3.888
  146   1HB   ASP  20          1HB       ASP  20  -8.145   6.092  -3.628
  147   2HB   ASP  20          2HB       ASP  20  -7.396   5.204  -4.946
  148    H    ARG  21           H        ARG  21  -7.436   2.478  -4.582
  149    HA   ARG  21           HA       ARG  21  -8.384   1.816  -7.243
  150   1HB   ARG  21          1HB       ARG  21  -6.083   0.562  -5.753
  151   2HB   ARG  21          2HB       ARG  21  -6.351   0.593  -7.491
  152   1HG   ARG  21          1HG       ARG  21  -5.946   2.968  -7.557
  153   2HG   ARG  21          2HG       ARG  21  -5.801   3.019  -5.798
  154   1HD   ARG  21          1HD       ARG  21  -3.600   3.004  -6.561
  155   2HD   ARG  21          2HD       ARG  21  -3.905   1.336  -6.085
  156    HE   ARG  21           HE       ARG  21  -4.418   1.883  -8.875
  157   1HH1  ARG  21          2HH1      ARG  21  -2.004   0.875  -6.528
  158   2HH1  ARG  21          1HH1      ARG  21  -0.993   0.101  -7.713
  159   1HH2  ARG  21          2HH2      ARG  21  -3.106   0.856 -10.415
  160   2HH2  ARG  21          1HH2      ARG  21  -1.622   0.096  -9.927
  161    H    TYR  22           H        TYR  22  -8.039   0.270  -4.065
  162    HA   TYR  22           HA       TYR  22  -9.710  -1.935  -5.053
  163   1HB   TYR  22          1HB       TYR  22  -7.623  -2.222  -2.886
  164   2HB   TYR  22          2HB       TYR  22  -8.464  -3.499  -3.758
  165    HD1  TYR  22           1HD      TYR  22  -5.469  -1.683  -3.507
  166    HD2  TYR  22           2HD      TYR  22  -8.038  -3.518  -6.360
  167    HE1  TYR  22           1HE      TYR  22  -3.605  -1.798  -5.103
  168    HE2  TYR  22           2HE      TYR  22  -6.185  -3.637  -7.959
  169    HH   TYR  22           HH       TYR  22  -2.964  -3.199  -7.093
  170    H    ASN  23           H        ASN  23  -8.869  -2.353  -1.909
  171    HA   ASN  23           HA       ASN  23 -10.533  -0.493  -0.566
  172   1HB   ASN  23          1HB       ASN  23 -12.328  -1.935  -1.440
  173   2HB   ASN  23          2HB       ASN  23 -11.558  -3.341  -0.710
  174   1HD2  ASN  23          1HD2      ASN  23 -13.454  -3.737   0.493
  175   2HD2  ASN  23          2HD2      ASN  23 -13.831  -2.796   1.897
  176    H    THR  24           H        THR  24  -9.001  -0.134   0.949
  177    HA   THR  24           HA       THR  24  -8.145  -2.443   2.558
  178    HB   THR  24           HB       THR  24  -5.868  -1.465   2.720
  179    HG1  THR  24           1HG      THR  24  -6.905   0.672   1.797
  180   1HG2  THR  24          1HG2      THR  24  -6.854  -2.139  -0.050
  181   2HG2  THR  24          2HG2      THR  24  -6.170  -3.245   1.140
  182   3HG2  THR  24          3HG2      THR  24  -5.152  -2.020   0.388
  183    H    ARG  25           H        ARG  25  -7.335  -1.825   4.722
  184    HA   ARG  25           HA       ARG  25  -8.555   0.681   5.662
  185   1HB   ARG  25          1HB       ARG  25  -7.369  -1.344   7.528
  186   2HB   ARG  25          2HB       ARG  25  -8.672  -0.205   7.815
  187   1HG   ARG  25          1HG       ARG  25  -9.890  -2.105   7.722
  188   2HG   ARG  25          2HG       ARG  25  -9.871  -1.733   5.995
  189   1HD   ARG  25          1HD       ARG  25  -7.951  -3.205   5.691
  190   2HD   ARG  25          2HD       ARG  25  -7.940  -3.559   7.418
  191    HE   ARG  25           HE       ARG  25 -10.434  -4.167   6.096
  192   1HH1  ARG  25          2HH1      ARG  25  -7.272  -5.329   7.074
  193   2HH1  ARG  25          1HH1      ARG  25  -7.688  -7.000   6.875
  194   1HH2  ARG  25          2HH2      ARG  25 -10.983  -6.379   5.859
  195   2HH2  ARG  25          1HH2      ARG  25  -9.798  -7.603   6.201
  196    H    GLY  26           H        GLY  26  -5.560  -1.152   5.557
  197   1HA   GLY  26          1HA       GLY  26  -4.060   1.305   6.028
  198   2HA   GLY  26          2HA       GLY  26  -3.797  -0.032   7.138
  199    H    ALA  27           H        ALA  27  -1.971   1.280   5.278
  200    HA   ALA  27           HA       ALA  27  -0.932  -1.180   4.103
  201   1HB   ALA  27          1HB       ALA  27  -1.042   1.434   2.598
  202   2HB   ALA  27          2HB       ALA  27  -0.319  -0.071   2.033
  203   3HB   ALA  27          3HB       ALA  27  -2.064   0.033   2.273
  204    H    LYS  28           H        LYS  28   1.273  -1.351   4.311
  205    HA   LYS  28           HA       LYS  28   2.621   0.956   5.558
  206   1HB   LYS  28          1HB       LYS  28   2.039  -0.769   7.252
  207   2HB   LYS  28          2HB       LYS  28   2.995  -1.937   6.349
  208   1HG   LYS  28          1HG       LYS  28   4.948  -0.329   6.652
  209   2HG   LYS  28          2HG       LYS  28   3.941   0.483   7.851
  210   1HD   LYS  28          1HD       LYS  28   3.744  -1.625   9.094
  211   2HD   LYS  28          2HD       LYS  28   4.775  -2.415   7.901
  212   1HE   LYS  28          1HE       LYS  28   6.166  -1.860   9.737
  213   2HE   LYS  28          2HE       LYS  28   6.539  -0.713   8.450
  214   1HZ   LYS  28          1HZ       LYS  28   6.288   0.245  10.741
  215   2HZ   LYS  28          2HZ       LYS  28   4.630  -0.098  10.631
  216   3HZ   LYS  28          3HZ       LYS  28   5.349   0.979   9.537
  217    H    CYS  29           H        CYS  29   4.631   1.398   4.874
  218    HA   CYS  29           HA       CYS  29   5.736  -0.065   2.655
  219   1HB   CYS  29          1HB       CYS  29   6.560   2.365   4.223
  220   2HB   CYS  29          2HB       CYS  29   7.615   1.658   3.016
  221    H    ILE  30           H        ILE  30   6.722  -1.946   3.030
  222    HA   ILE  30           HA       ILE  30   8.157  -2.236   5.589
  223    HB   ILE  30           HB       ILE  30   6.121  -3.533   5.631
  224   1HG1  ILE  30          1HG1      ILE  30   7.069  -5.818   5.989
  225   2HG1  ILE  30          2HG1      ILE  30   8.585  -5.250   5.294
  226   1HG2  ILE  30          1HG2      ILE  30   5.685  -5.355   4.066
  227   2HG2  ILE  30          2HG2      ILE  30   5.748  -3.791   3.250
  228   3HG2  ILE  30          3HG2      ILE  30   7.116  -4.899   3.137
  229   1HD1  ILE  30          1HD1      ILE  30   8.692  -5.233   7.708
  230   2HD1  ILE  30          2HD1      ILE  30   8.763  -3.585   7.080
  231   3HD1  ILE  30          3HD1      ILE  30   7.267  -4.196   7.783
  232    H    ASN  31           H        ASN  31   8.090  -3.342   2.206
  233    HA   ASN  31           HA       ASN  31  10.811  -4.385   2.504
  234   1HB   ASN  31          1HB       ASN  31   9.064  -5.828   1.477
  235   2HB   ASN  31          2HB       ASN  31   8.860  -4.642   0.195
  236   1HD2  ASN  31          1HD2      ASN  31  10.984  -7.054   1.566
  237   2HD2  ASN  31          2HD2      ASN  31  11.998  -7.228   0.172
  238    H    GLY  32           H        GLY  32   9.913  -1.503   2.311
  239   1HA   GLY  32          1HA       GLY  32  11.098   0.346   1.429
  240   2HA   GLY  32          2HA       GLY  32  11.693  -0.684   0.128
  241    H    ARG  33           H        ARG  33   8.835  -1.731   0.091
  242    HA   ARG  33           HA       ARG  33   7.542   0.512  -1.288
  243   1HB   ARG  33          1HB       ARG  33   6.545  -1.025  -2.850
  244   2HB   ARG  33          2HB       ARG  33   8.282  -1.277  -2.855
  245   1HG   ARG  33          1HG       ARG  33   7.983  -3.246  -1.416
  246   2HG   ARG  33          2HG       ARG  33   6.234  -3.004  -1.485
  247   1HD   ARG  33          1HD       ARG  33   6.377  -3.172  -3.971
  248   2HD   ARG  33          2HD       ARG  33   8.083  -3.592  -3.796
  249    HE   ARG  33           HE       ARG  33   5.978  -5.225  -2.532
  250   1HH1  ARG  33          2HH1      ARG  33   8.667  -4.918  -4.768
  251   2HH1  ARG  33          1HH1      ARG  33   8.816  -6.636  -5.009
  252   1HH2  ARG  33          2HH2      ARG  33   6.165  -7.451  -2.857
  253   2HH2  ARG  33          1HH2      ARG  33   7.399  -8.077  -3.912
  254    H    CYS  34           H        CYS  34   5.074   0.134  -1.336
  255    HA   CYS  34           HA       CYS  34   4.421  -0.361   1.468
  256   1HB   CYS  34          1HB       CYS  34   2.296   0.943   0.784
  257   2HB   CYS  34          2HB       CYS  34   3.814   1.816   0.936
  258    H    THR  35           H        THR  35   3.452  -2.139   2.022
  259    HA   THR  35           HA       THR  35   1.852  -3.616   0.060
  260    HB   THR  35           HB       THR  35   2.736  -4.517   2.815
  261    HG1  THR  35           1HG      THR  35   3.944  -5.076   0.284
  262   1HG2  THR  35          1HG2      THR  35   0.842  -5.765   1.886
  263   2HG2  THR  35          2HG2      THR  35   2.293  -6.765   1.934
  264   3HG2  THR  35          3HG2      THR  35   1.757  -6.065   0.408
  265    H    CYS  36           H        CYS  36  -0.307  -3.784   0.269
  266    HA   CYS  36           HA       CYS  36  -1.553  -2.232   2.418
  267   1HB   CYS  36          1HB       CYS  36  -2.812  -3.290  -0.117
  268   2HB   CYS  36          2HB       CYS  36  -3.457  -2.057   0.966
  269    H    TYR  37           H        TYR  37  -2.959  -3.129   3.870
  270    HA   TYR  37           HA       TYR  37  -3.161  -6.066   3.706
  271   1HB   TYR  37          1HB       TYR  37  -3.089  -4.363   6.204
  272   2HB   TYR  37          2HB       TYR  37  -3.103  -6.123   6.137
  273    HD1  TYR  37           1HD      TYR  37  -1.061  -3.188   6.174
  274    HD2  TYR  37           2HD      TYR  37  -1.107  -7.280   4.996
  275    HE1  TYR  37           1HE      TYR  37   1.396  -3.181   6.072
  276    HE2  TYR  37           2HE      TYR  37   1.354  -7.279   4.900
  277    HH   TYR  37           HH       TYR  37   3.246  -4.806   6.211
  278    HA   PRO  38           HA       PRO  38  -7.552  -5.032   3.982
  279   1HB   PRO  38          1HB       PRO  38  -8.192  -6.142   1.557
  280   2HB   PRO  38          2HB       PRO  38  -7.657  -4.470   1.757
  281   1HG   PRO  38          1HG       PRO  38  -6.278  -6.610   0.424
  282   2HG   PRO  38          2HG       PRO  38  -5.733  -4.938   0.650
  283   1HD   PRO  38          1HD       PRO  38  -5.096  -7.368   2.247
  284   2HD   PRO  38          2HD       PRO  38  -4.119  -5.908   1.958
  Start of MODEL    3
    1    HN   PCA   1           H        PCA   1  -1.940 -11.674  -0.172
    2    HA   PCA   1           HA       PCA   1  -2.947  -9.645   0.916
    3   1HB   PCA   1          1HB       PCA   1  -1.406  -9.056   2.496
    4   2HB   PCA   1          2HB       PCA   1  -0.629  -8.097   1.223
    5   1HG   PCA   1          1HG       PCA   1   0.457 -10.281   2.565
    6   2HG   PCA   1          2HG       PCA   1   1.071  -9.545   1.066
    7    H    ILE   2           H        ILE   2  -2.499  -7.170   0.229
    8    HA   ILE   2           HA       ILE   2  -2.459  -7.198  -2.687
    9    HB   ILE   2           HB       ILE   2  -3.250  -5.068  -0.696
   10   1HG1  ILE   2          1HG1      ILE   2  -4.882  -6.647  -2.697
   11   2HG1  ILE   2          2HG1      ILE   2  -4.819  -6.953  -0.965
   12   1HG2  ILE   2          1HG2      ILE   2  -2.262  -3.966  -2.605
   13   2HG2  ILE   2          2HG2      ILE   2  -3.260  -4.915  -3.709
   14   3HG2  ILE   2          3HG2      ILE   2  -4.009  -3.740  -2.627
   15   1HD1  ILE   2          1HD1      ILE   2  -5.775  -4.735  -0.555
   16   2HD1  ILE   2          2HD1      ILE   2  -5.876  -4.471  -2.296
   17   3HD1  ILE   2          3HD1      ILE   2  -6.829  -5.751  -1.541
   18    H    ASP   3           H        ASP   3  -0.375  -7.166  -3.414
   19    HA   ASP   3           HA       ASP   3   1.233  -4.884  -2.498
   20   1HB   ASP   3          1HB       ASP   3   2.315  -6.922  -1.739
   21   2HB   ASP   3          2HB       ASP   3   2.243  -7.599  -3.366
   22    H    THR   4           H        THR   4   1.599  -3.442  -3.999
   23    HA   THR   4           HA       THR   4   1.068  -4.158  -6.779
   24    HB   THR   4           HB       THR   4   1.247  -1.587  -7.045
   25    HG1  THR   4           1HG      THR   4   1.870  -0.686  -5.219
   26   1HG2  THR   4          1HG2      THR   4  -0.861  -2.810  -7.190
   27   2HG2  THR   4          2HG2      THR   4  -1.087  -1.298  -6.311
   28   3HG2  THR   4          3HG2      THR   4  -0.989  -2.822  -5.431
   29    H    ASN   5           H        ASN   5   3.642  -4.191  -4.819
   30    HA   ASN   5           HA       ASN   5   5.890  -3.968  -4.990
   31   1HB   ASN   5          1HB       ASN   5   5.614  -5.706  -6.658
   32   2HB   ASN   5          2HB       ASN   5   5.275  -4.510  -7.904
   33   1HD2  ASN   5          1HD2      ASN   5   6.994  -5.297  -9.156
   34   2HD2  ASN   5          2HD2      ASN   5   8.637  -4.939  -8.764
   35    H    VAL   6           H        VAL   6   5.560  -1.743  -4.381
   36    HA   VAL   6           HA       VAL   6   6.365   0.136  -6.482
   37    HB   VAL   6           HB       VAL   6   4.127   0.501  -4.494
   38   1HG1  VAL   6          1HG1      VAL   6   3.862   2.764  -5.373
   39   2HG1  VAL   6          2HG1      VAL   6   5.464   2.558  -4.665
   40   3HG1  VAL   6          3HG1      VAL   6   5.265   2.536  -6.419
   41   1HG2  VAL   6          1HG2      VAL   6   4.154   0.521  -7.508
   42   2HG2  VAL   6          2HG2      VAL   6   3.467  -0.728  -6.471
   43   3HG2  VAL   6          3HG2      VAL   6   2.756   0.883  -6.498
   44    H    LYS   7           H        LYS   7   8.334   0.723  -5.813
   45    HA   LYS   7           HA       LYS   7   9.376   0.866  -3.285
   46   1HB   LYS   7          1HB       LYS   7   9.890   2.438  -5.782
   47   2HB   LYS   7          2HB       LYS   7  10.714   2.888  -4.294
   48   1HG   LYS   7          1HG       LYS   7  10.788   0.104  -5.426
   49   2HG   LYS   7          2HG       LYS   7  11.974   1.347  -5.831
   50   1HD   LYS   7          1HD       LYS   7  11.348   0.444  -3.023
   51   2HD   LYS   7          2HD       LYS   7  12.694  -0.168  -3.987
   52   1HE   LYS   7          1HE       LYS   7  13.675   2.027  -4.108
   53   2HE   LYS   7          2HE       LYS   7  12.272   2.739  -3.313
   54   1HZ   LYS   7          1HZ       LYS   7  12.839   1.738  -1.284
   55   2HZ   LYS   7          2HZ       LYS   7  14.297   2.347  -1.894
   56   3HZ   LYS   7          3HZ       LYS   7  13.962   0.690  -2.001
   57    H    CYS   8           H        CYS   8   8.839   1.943  -1.520
   58    HA   CYS   8           HA       CYS   8   6.684   3.857  -1.719
   59   1HB   CYS   8          1HB       CYS   8   6.455   3.612   0.652
   60   2HB   CYS   8          2HB       CYS   8   6.724   2.008  -0.022
   61    H    SER   9           H        SER   9   6.719   5.943  -1.122
   62    HA   SER   9           HA       SER   9   9.301   7.176  -0.490
   63   1HB   SER   9          1HB       SER   9   7.798   9.298  -0.918
   64   2HB   SER   9          2HB       SER   9   8.373   8.344  -2.289
   65    HG   SER   9           HG       SER   9   6.395   7.451  -2.534
   66    H    GLY  10           H        GLY  10   7.754   5.584   1.354
   67   1HA   GLY  10          1HA       GLY  10   7.808   6.470   3.767
   68   2HA   GLY  10          2HA       GLY  10   6.545   7.542   3.168
   69    H    SER  11           H        SER  11   4.543   6.867   3.442
   70    HA   SER  11           HA       SER  11   3.721   4.163   2.962
   71   1HB   SER  11          1HB       SER  11   2.810   3.778   5.263
   72   2HB   SER  11          2HB       SER  11   4.572   3.796   5.201
   73    HG   SER  11           HG       SER  11   4.572   5.452   6.490
   74    H    SER  12           H        SER  12   3.056   7.427   4.024
   75    HA   SER  12           HA       SER  12   0.284   7.371   4.112
   76   1HB   SER  12          1HB       SER  12   0.533   9.860   3.542
   77   2HB   SER  12          2HB       SER  12   1.366   9.277   4.984
   78    HG   SER  12           HG       SER  12   2.457  10.585   3.071
   79    H    LYS  13           H        LYS  13   2.345   7.044   1.434
   80    HA   LYS  13           HA       LYS  13   0.615   7.955  -0.621
   81   1HB   LYS  13          1HB       LYS  13   3.155   7.344  -0.687
   82   2HB   LYS  13          2HB       LYS  13   2.582   5.707  -0.952
   83   1HG   LYS  13          1HG       LYS  13   1.869   8.044  -2.705
   84   2HG   LYS  13          2HG       LYS  13   3.200   6.934  -3.018
   85   1HD   LYS  13          1HD       LYS  13   1.507   5.069  -2.991
   86   2HD   LYS  13          2HD       LYS  13   0.254   6.308  -2.949
   87   1HE   LYS  13          1HE       LYS  13   2.323   5.916  -5.106
   88   2HE   LYS  13          2HE       LYS  13   0.607   5.537  -5.217
   89   1HZ   LYS  13          1HZ       LYS  13   1.828   8.231  -4.954
   90   2HZ   LYS  13          2HZ       LYS  13   0.160   7.933  -4.854
   91   3HZ   LYS  13          3HZ       LYS  13   0.996   7.605  -6.296
   92    H    CYS  14           H        CYS  14   1.414   4.667   0.488
   93    HA   CYS  14           HA       CYS  14  -0.510   3.412  -1.130
   94   1HB   CYS  14          1HB       CYS  14  -0.107   1.545   0.738
   95   2HB   CYS  14          2HB       CYS  14   1.048   1.876  -0.549
   96    H    VAL  15           H        VAL  15  -0.574   4.234   2.325
   97    HA   VAL  15           HA       VAL  15  -2.875   2.858   3.003
   98    HB   VAL  15           HB       VAL  15  -1.453   3.778   4.699
   99   1HG1  VAL  15          1HG1      VAL  15  -0.718   5.768   3.559
  100   2HG1  VAL  15          2HG1      VAL  15  -2.327   6.475   3.699
  101   3HG1  VAL  15          3HG1      VAL  15  -1.364   6.186   5.148
  102   1HG2  VAL  15          1HG2      VAL  15  -3.791   3.435   5.315
  103   2HG2  VAL  15          2HG2      VAL  15  -3.093   4.796   6.191
  104   3HG2  VAL  15          3HG2      VAL  15  -4.168   5.086   4.824
  105    H    LYS  16           H        LYS  16  -2.598   5.992   1.429
  106    HA   LYS  16           HA       LYS  16  -5.428   6.506   1.752
  107   1HB   LYS  16          1HB       LYS  16  -3.789   8.361   1.850
  108   2HB   LYS  16          2HB       LYS  16  -3.375   8.058   0.167
  109   1HG   LYS  16          1HG       LYS  16  -5.653   8.602  -0.507
  110   2HG   LYS  16          2HG       LYS  16  -6.098   8.872   1.177
  111   1HD   LYS  16          1HD       LYS  16  -5.693  10.994   0.104
  112   2HD   LYS  16          2HD       LYS  16  -4.422  10.687   1.290
  113   1HE   LYS  16          1HE       LYS  16  -2.931   9.947  -0.497
  114   2HE   LYS  16          2HE       LYS  16  -4.205  10.229  -1.684
  115   1HZ   LYS  16          1HZ       LYS  16  -2.971  12.308   0.045
  116   2HZ   LYS  16          2HZ       LYS  16  -4.177  12.574  -1.119
  117   3HZ   LYS  16          3HZ       LYS  16  -2.630  12.068  -1.600
  118    H    ILE  17           H        ILE  17  -3.192   5.878  -0.965
  119    HA   ILE  17           HA       ILE  17  -5.293   6.090  -2.886
  120    HB   ILE  17           HB       ILE  17  -2.936   6.588  -3.433
  121   1HG1  ILE  17          1HG1      ILE  17  -3.057   5.760  -5.683
  122   2HG1  ILE  17          2HG1      ILE  17  -4.039   4.385  -5.181
  123   1HG2  ILE  17          1HG2      ILE  17  -1.805   4.800  -2.278
  124   2HG2  ILE  17          2HG2      ILE  17  -2.581   3.604  -3.319
  125   3HG2  ILE  17          3HG2      ILE  17  -1.413   4.738  -3.995
  126   1HD1  ILE  17          1HD1      ILE  17  -5.358   6.080  -6.334
  127   2HD1  ILE  17          2HD1      ILE  17  -5.888   5.867  -4.662
  128   3HD1  ILE  17          3HD1      ILE  17  -4.908   7.266  -5.112
  129    H    CYS  18           H        CYS  18  -3.848   3.437  -1.151
  130    HA   CYS  18           HA       CYS  18  -4.724   1.354  -2.819
  131   1HB   CYS  18          1HB       CYS  18  -3.081   1.204  -0.887
  132   2HB   CYS  18          2HB       CYS  18  -4.471   1.124   0.183
  133    H    ILE  19           H        ILE  19  -6.402   3.333  -0.543
  134    HA   ILE  19           HA       ILE  19  -8.730   1.738  -0.262
  135    HB   ILE  19           HB       ILE  19  -8.518   4.747  -0.070
  136   1HG1  ILE  19          1HG1      ILE  19  -8.294   2.668   2.120
  137   2HG1  ILE  19          2HG1      ILE  19  -6.950   3.591   1.453
  138   1HG2  ILE  19          1HG2      ILE  19 -10.518   4.567   1.347
  139   2HG2  ILE  19          2HG2      ILE  19 -10.812   3.983  -0.292
  140   3HG2  ILE  19          3HG2      ILE  19 -10.577   2.833   1.025
  141   1HD1  ILE  19          1HD1      ILE  19  -7.692   4.510   3.579
  142   2HD1  ILE  19          2HD1      ILE  19  -7.956   5.655   2.263
  143   3HD1  ILE  19          3HD1      ILE  19  -9.313   4.741   2.920
  144    H    ASP  20           H        ASP  20  -7.698   4.169  -2.597
  145    HA   ASP  20           HA       ASP  20 -10.312   4.426  -3.789
  146   1HB   ASP  20          1HB       ASP  20  -7.583   5.488  -4.497
  147   2HB   ASP  20          2HB       ASP  20  -8.957   5.697  -5.575
  148    H    ARG  21           H        ARG  21  -7.788   2.234  -4.017
  149    HA   ARG  21           HA       ARG  21  -8.382   1.520  -6.790
  150   1HB   ARG  21          1HB       ARG  21  -6.266   0.346  -4.994
  151   2HB   ARG  21          2HB       ARG  21  -6.374   0.221  -6.746
  152   1HG   ARG  21          1HG       ARG  21  -5.973   2.611  -6.948
  153   2HG   ARG  21          2HG       ARG  21  -5.878   2.744  -5.188
  154   1HD   ARG  21          1HD       ARG  21  -4.025   1.240  -7.021
  155   2HD   ARG  21          2HD       ARG  21  -3.668   2.673  -6.057
  156    HE   ARG  21           HE       ARG  21  -4.499   0.479  -4.438
  157   1HH1  ARG  21          2HH1      ARG  21  -1.810   1.867  -6.171
  158   2HH1  ARG  21          1HH1      ARG  21  -0.597   1.063  -5.213
  159   1HH2  ARG  21          2HH2      ARG  21  -2.910  -0.625  -3.168
  160   2HH2  ARG  21          1HH2      ARG  21  -1.231  -0.376  -3.519
  161    H    TYR  22           H        TYR  22  -8.245   0.082  -3.545
  162    HA   TYR  22           HA       TYR  22  -9.785  -2.182  -4.606
  163   1HB   TYR  22          1HB       TYR  22  -7.866  -2.168  -2.260
  164   2HB   TYR  22          2HB       TYR  22  -8.746  -3.568  -2.873
  165    HD1  TYR  22           1HD      TYR  22  -5.893  -1.360  -3.375
  166    HD2  TYR  22           2HD      TYR  22  -8.167  -4.537  -5.054
  167    HE1  TYR  22           1HE      TYR  22  -4.075  -1.801  -4.979
  168    HE2  TYR  22           2HE      TYR  22  -6.356  -4.999  -6.650
  169    HH   TYR  22           HH       TYR  22  -4.478  -3.869  -7.676
  170    H    ASN  23           H        ASN  23  -9.373  -2.160  -1.250
  171    HA   ASN  23           HA       ASN  23 -11.519  -0.363  -0.617
  172   1HB   ASN  23          1HB       ASN  23 -12.630  -2.478  -1.532
  173   2HB   ASN  23          2HB       ASN  23 -12.054  -3.281  -0.075
  174   1HD2  ASN  23          1HD2      ASN  23 -14.151  -3.692   0.630
  175   2HD2  ASN  23          2HD2      ASN  23 -15.184  -2.437   1.241
  176    H    THR  24           H        THR  24  -8.681  -1.275   0.140
  177    HA   THR  24           HA       THR  24  -9.179  -1.873   2.970
  178    HB   THR  24           HB       THR  24  -7.787  -3.553   1.945
  179    HG1  THR  24           1HG      THR  24  -6.299  -3.545   3.519
  180   1HG2  THR  24          1HG2      THR  24  -6.914  -2.211   0.080
  181   2HG2  THR  24          2HG2      THR  24  -5.626  -3.046   0.949
  182   3HG2  THR  24          3HG2      THR  24  -5.892  -1.322   1.211
  183    H    ARG  25           H        ARG  25  -8.372  -0.624   4.554
  184    HA   ARG  25           HA       ARG  25  -7.433   2.028   3.738
  185   1HB   ARG  25          1HB       ARG  25  -8.373   2.896   5.704
  186   2HB   ARG  25          2HB       ARG  25  -9.535   1.689   5.177
  187   1HG   ARG  25          1HG       ARG  25  -7.472   1.317   7.343
  188   2HG   ARG  25          2HG       ARG  25  -9.189   1.630   7.590
  189   1HD   ARG  25          1HD       ARG  25  -9.779  -0.481   6.628
  190   2HD   ARG  25          2HD       ARG  25  -8.113  -0.773   6.114
  191    HE   ARG  25           HE       ARG  25  -8.114  -0.409   8.890
  192   1HH1  ARG  25          2HH1      ARG  25  -9.365  -2.706   6.542
  193   2HH1  ARG  25          1HH1      ARG  25  -9.224  -4.062   7.629
  194   1HH2  ARG  25          2HH2      ARG  25  -7.938  -2.199  10.303
  195   2HH2  ARG  25          1HH2      ARG  25  -8.419  -3.777   9.747
  196    H    GLY  26           H        GLY  26  -6.139  -0.801   4.706
  197   1HA   GLY  26          1HA       GLY  26  -4.120   0.486   6.428
  198   2HA   GLY  26          2HA       GLY  26  -4.616  -1.192   6.593
  199    H    ALA  27           H        ALA  27  -2.615   1.041   4.931
  200    HA   ALA  27           HA       ALA  27  -1.274  -1.224   3.630
  201   1HB   ALA  27          1HB       ALA  27  -2.541  -0.025   1.919
  202   2HB   ALA  27          2HB       ALA  27  -1.752   1.485   2.380
  203   3HB   ALA  27          3HB       ALA  27  -0.805   0.175   1.672
  204    H    LYS  28           H        LYS  28   0.862  -1.278   3.931
  205    HA   LYS  28           HA       LYS  28   2.176   1.087   5.080
  206   1HB   LYS  28          1HB       LYS  28   1.533  -0.465   6.918
  207   2HB   LYS  28          2HB       LYS  28   2.447  -1.742   6.128
  208   1HG   LYS  28          1HG       LYS  28   4.429  -0.068   6.306
  209   2HG   LYS  28          2HG       LYS  28   3.433   0.686   7.552
  210   1HD   LYS  28          1HD       LYS  28   4.980  -0.910   8.537
  211   2HD   LYS  28          2HD       LYS  28   3.315  -1.460   8.738
  212   1HE   LYS  28          1HE       LYS  28   3.579  -2.987   6.864
  213   2HE   LYS  28          2HE       LYS  28   5.217  -2.393   6.589
  214   1HZ   LYS  28          1HZ       LYS  28   5.929  -3.293   8.655
  215   2HZ   LYS  28          2HZ       LYS  28   5.072  -4.526   7.859
  216   3HZ   LYS  28          3HZ       LYS  28   4.342  -3.666   9.127
  217    H    CYS  29           H        CYS  29   4.373   1.256   4.601
  218    HA   CYS  29           HA       CYS  29   5.353  -0.439   2.463
  219   1HB   CYS  29          1HB       CYS  29   5.843   1.891   2.221
  220   2HB   CYS  29          2HB       CYS  29   6.472   1.990   3.861
  221    H    ILE  30           H        ILE  30   6.678  -2.146   2.774
  222    HA   ILE  30           HA       ILE  30   7.656  -2.498   5.522
  223    HB   ILE  30           HB       ILE  30   6.005  -4.135   5.186
  224   1HG1  ILE  30          1HG1      ILE  30   7.291  -6.275   5.261
  225   2HG1  ILE  30          2HG1      ILE  30   8.728  -5.382   4.780
  226   1HG2  ILE  30          1HG2      ILE  30   5.821  -5.627   3.338
  227   2HG2  ILE  30          2HG2      ILE  30   5.938  -3.987   2.703
  228   3HG2  ILE  30          3HG2      ILE  30   7.338  -5.060   2.650
  229   1HD1  ILE  30          1HD1      ILE  30   8.677  -5.777   7.178
  230   2HD1  ILE  30          2HD1      ILE  30   8.596  -4.054   6.810
  231   3HD1  ILE  30          3HD1      ILE  30   7.139  -4.921   7.292
  232    H    ASN  31           H        ASN  31   8.520  -3.975   2.357
  233    HA   ASN  31           HA       ASN  31  11.311  -3.849   3.241
  234   1HB   ASN  31          1HB       ASN  31  10.126  -6.001   2.374
  235   2HB   ASN  31          2HB       ASN  31  10.352  -5.291   0.779
  236   1HD2  ASN  31          1HD2      ASN  31  11.479  -7.723   1.812
  237   2HD2  ASN  31          2HD2      ASN  31  13.198  -7.543   1.766
  238    H    GLY  32           H        GLY  32  10.150  -1.447   2.487
  239   1HA   GLY  32          1HA       GLY  32  11.043   0.371   1.324
  240   2HA   GLY  32          2HA       GLY  32  11.843  -0.742   0.224
  241    H    ARG  33           H        ARG  33   8.715  -1.743   0.580
  242    HA   ARG  33           HA       ARG  33   7.709   0.002  -1.533
  243   1HB   ARG  33          1HB       ARG  33   6.918  -1.760  -2.865
  244   2HB   ARG  33          2HB       ARG  33   8.578  -2.177  -2.466
  245   1HG   ARG  33          1HG       ARG  33   7.878  -3.781  -0.869
  246   2HG   ARG  33          2HG       ARG  33   6.200  -3.234  -0.971
  247   1HD   ARG  33          1HD       ARG  33   6.305  -5.176  -2.263
  248   2HD   ARG  33          2HD       ARG  33   6.296  -3.844  -3.419
  249    HE   ARG  33           HE       ARG  33   8.922  -4.286  -3.115
  250   1HH1  ARG  33          2HH1      ARG  33   6.256  -6.485  -3.720
  251   2HH1  ARG  33          1HH1      ARG  33   7.247  -7.640  -4.572
  252   1HH2  ARG  33          2HH2      ARG  33  10.216  -5.809  -4.229
  253   2HH2  ARG  33          1HH2      ARG  33   9.487  -7.250  -4.875
  254    H    CYS  34           H        CYS  34   5.367  -0.000  -1.716
  255    HA   CYS  34           HA       CYS  34   4.176  -0.184   0.930
  256   1HB   CYS  34          1HB       CYS  34   3.567   1.280  -1.574
  257   2HB   CYS  34          2HB       CYS  34   2.192   0.848  -0.563
  258    H    THR  35           H        THR  35   3.052  -1.853   1.562
  259    HA   THR  35           HA       THR  35   1.575  -3.441  -0.430
  260    HB   THR  35           HB       THR  35   2.957  -4.441   2.074
  261    HG1  THR  35           1HG      THR  35   3.609  -4.509  -0.687
  262   1HG2  THR  35          1HG2      THR  35   2.350  -6.687   1.259
  263   2HG2  THR  35          2HG2      THR  35   1.419  -5.951  -0.047
  264   3HG2  THR  35          3HG2      THR  35   0.927  -5.713   1.629
  265    H    CYS  36           H        CYS  36  -0.514  -3.991   0.109
  266    HA   CYS  36           HA       CYS  36  -1.636  -2.551   2.405
  267   1HB   CYS  36          1HB       CYS  36  -3.102  -3.803   0.077
  268   2HB   CYS  36          2HB       CYS  36  -3.748  -2.663   1.253
  269    H    TYR  37           H        TYR  37  -2.563  -3.574   4.065
  270    HA   TYR  37           HA       TYR  37  -2.762  -6.514   3.919
  271   1HB   TYR  37          1HB       TYR  37  -2.149  -4.910   6.408
  272   2HB   TYR  37          2HB       TYR  37  -2.086  -6.658   6.220
  273    HD1  TYR  37           1HD      TYR  37  -0.360  -3.495   5.620
  274    HD2  TYR  37           2HD      TYR  37  -0.195  -7.715   5.087
  275    HE1  TYR  37           1HE      TYR  37   2.044  -3.336   5.135
  276    HE2  TYR  37           2HE      TYR  37   2.208  -7.565   4.590
  277    HH   TYR  37           HH       TYR  37   3.829  -5.938   3.818
  278    HA   PRO  38           HA       PRO  38  -6.971  -4.923   4.994
  279   1HB   PRO  38          1HB       PRO  38  -7.841  -7.123   3.256
  280   2HB   PRO  38          2HB       PRO  38  -8.229  -5.404   3.157
  281   1HG   PRO  38          1HG       PRO  38  -6.638  -6.559   1.343
  282   2HG   PRO  38          2HG       PRO  38  -6.326  -4.904   1.925
  283   1HD   PRO  38          1HD       PRO  38  -5.034  -7.483   2.803
  284   2HD   PRO  38          2HD       PRO  38  -4.268  -5.941   2.344
  Start of MODEL    4
    1    HN   PCA   1           H        PCA   1  -2.511 -11.423  -0.092
    2    HA   PCA   1           HA       PCA   1  -3.385  -9.267   0.998
    3   1HB   PCA   1          1HB       PCA   1  -1.875  -8.662   2.583
    4   2HB   PCA   1          2HB       PCA   1  -0.816  -8.078   1.288
    5   1HG   PCA   1          1HG       PCA   1  -0.396 -10.269   3.005
    6   2HG   PCA   1          2HG       PCA   1   0.568  -9.808   1.585
    7    H    ILE   2           H        ILE   2  -2.870  -6.960   0.170
    8    HA   ILE   2           HA       ILE   2  -2.568  -7.148  -2.713
    9    HB   ILE   2           HB       ILE   2  -3.372  -4.825  -0.950
   10   1HG1  ILE   2          1HG1      ILE   2  -4.988  -6.512  -2.869
   11   2HG1  ILE   2          2HG1      ILE   2  -5.001  -6.687  -1.117
   12   1HG2  ILE   2          1HG2      ILE   2  -4.008  -3.685  -3.044
   13   2HG2  ILE   2          2HG2      ILE   2  -2.270  -3.960  -2.923
   14   3HG2  ILE   2          3HG2      ILE   2  -3.259  -4.992  -3.961
   15   1HD1  ILE   2          1HD1      ILE   2  -5.910  -4.282  -2.679
   16   2HD1  ILE   2          2HD1      ILE   2  -6.937  -5.458  -1.858
   17   3HD1  ILE   2          3HD1      ILE   2  -5.879  -4.405  -0.920
   18    H    ASP   3           H        ASP   3  -0.319  -7.604  -2.754
   19    HA   ASP   3           HA       ASP   3   1.457  -5.452  -1.921
   20   1HB   ASP   3          1HB       ASP   3   2.201  -7.755  -1.538
   21   2HB   ASP   3          2HB       ASP   3   2.067  -8.097  -3.262
   22    H    THR   4           H        THR   4   1.510  -3.763  -3.195
   23    HA   THR   4           HA       THR   4   0.609  -3.884  -5.903
   24    HB   THR   4           HB       THR   4   1.209  -1.416  -5.889
   25    HG1  THR   4           1HG      THR   4   1.477  -1.619  -3.098
   26   1HG2  THR   4          1HG2      THR   4  -0.588  -2.436  -3.684
   27   2HG2  THR   4          2HG2      THR   4  -1.053  -2.194  -5.370
   28   3HG2  THR   4          3HG2      THR   4  -0.623  -0.807  -4.364
   29    H    ASN   5           H        ASN   5   3.659  -3.965  -4.316
   30    HA   ASN   5           HA       ASN   5   5.805  -4.162  -5.023
   31   1HB   ASN   5          1HB       ASN   5   4.784  -5.775  -6.718
   32   2HB   ASN   5          2HB       ASN   5   4.756  -4.428  -7.853
   33   1HD2  ASN   5          1HD2      ASN   5   6.172  -5.511  -9.246
   34   2HD2  ASN   5          2HD2      ASN   5   7.862  -5.654  -8.897
   35    H    VAL   6           H        VAL   6   4.749  -1.836  -4.517
   36    HA   VAL   6           HA       VAL   6   5.639   0.051  -6.585
   37    HB   VAL   6           HB       VAL   6   3.126  -0.048  -4.946
   38   1HG1  VAL   6          1HG1      VAL   6   2.652   2.273  -5.503
   39   2HG1  VAL   6          2HG1      VAL   6   4.072   2.127  -4.468
   40   3HG1  VAL   6          3HG1      VAL   6   4.269   2.442  -6.192
   41   1HG2  VAL   6          1HG2      VAL   6   3.686   0.558  -7.845
   42   2HG2  VAL   6          2HG2      VAL   6   3.051  -0.951  -7.191
   43   3HG2  VAL   6          3HG2      VAL   6   2.088   0.524  -7.099
   44    H    LYS   7           H        LYS   7   7.061   1.514  -5.882
   45    HA   LYS   7           HA       LYS   7   8.292   1.190  -3.388
   46   1HB   LYS   7          1HB       LYS   7   8.471   3.538  -5.284
   47   2HB   LYS   7          2HB       LYS   7   9.602   3.189  -3.983
   48   1HG   LYS   7          1HG       LYS   7   9.092   1.466  -6.401
   49   2HG   LYS   7          2HG       LYS   7  10.496   2.503  -6.137
   50   1HD   LYS   7          1HD       LYS   7  11.097   1.165  -4.164
   51   2HD   LYS   7          2HD       LYS   7   9.696   0.130  -4.451
   52   1HE   LYS   7          1HE       LYS   7  11.761  -0.885  -5.291
   53   2HE   LYS   7          2HE       LYS   7  10.620  -0.557  -6.595
   54   1HZ   LYS   7          1HZ       LYS   7  11.870   1.318  -7.274
   55   2HZ   LYS   7          2HZ       LYS   7  12.985   0.058  -7.060
   56   3HZ   LYS   7          3HZ       LYS   7  12.845   1.276  -5.887
   57    H    CYS   8           H        CYS   8   8.332   2.447  -1.526
   58    HA   CYS   8           HA       CYS   8   5.879   4.013  -1.146
   59   1HB   CYS   8          1HB       CYS   8   6.384   3.578   1.319
   60   2HB   CYS   8          2HB       CYS   8   5.848   2.211   0.352
   61    H    SER   9           H        SER   9   5.959   6.099  -0.749
   62    HA   SER   9           HA       SER   9   8.530   7.371  -0.233
   63   1HB   SER   9          1HB       SER   9   5.849   8.650  -0.810
   64   2HB   SER   9          2HB       SER   9   7.429   9.431  -0.862
   65    HG   SER   9           HG       SER   9   7.175   8.922  -2.923
   66    H    GLY  10           H        GLY  10   6.872   5.840   1.794
   67   1HA   GLY  10          1HA       GLY  10   7.288   6.458   4.161
   68   2HA   GLY  10          2HA       GLY  10   6.617   8.023   3.757
   69    H    SER  11           H        SER  11   5.310   5.015   2.634
   70    HA   SER  11           HA       SER  11   3.470   3.783   3.107
   71   1HB   SER  11          1HB       SER  11   3.481   5.333   5.708
   72   2HB   SER  11          2HB       SER  11   2.404   3.977   5.356
   73    HG   SER  11           HG       SER  11   4.914   3.905   6.254
   74    H    SER  12           H        SER  12   3.066   7.281   3.699
   75    HA   SER  12           HA       SER  12   0.280   7.354   3.308
   76   1HB   SER  12          1HB       SER  12   1.652   9.225   4.218
   77   2HB   SER  12          2HB       SER  12   2.268   9.520   2.594
   78    HG   SER  12           HG       SER  12  -0.481   9.594   3.346
   79    H    LYS  13           H        LYS  13   2.892   6.912   1.160
   80    HA   LYS  13           HA       LYS  13   1.844   7.546  -1.331
   81   1HB   LYS  13          1HB       LYS  13   4.166   6.839  -0.913
   82   2HB   LYS  13          2HB       LYS  13   3.609   5.218  -0.534
   83   1HG   LYS  13          1HG       LYS  13   4.503   5.203  -2.736
   84   2HG   LYS  13          2HG       LYS  13   2.751   5.046  -2.866
   85   1HD   LYS  13          1HD       LYS  13   2.501   7.284  -3.569
   86   2HD   LYS  13          2HD       LYS  13   4.150   7.698  -3.093
   87   1HE   LYS  13          1HE       LYS  13   3.992   7.496  -5.505
   88   2HE   LYS  13          2HE       LYS  13   5.012   6.219  -4.846
   89   1HZ   LYS  13          1HZ       LYS  13   2.172   5.933  -5.669
   90   2HZ   LYS  13          2HZ       LYS  13   3.129   4.704  -5.005
   91   3HZ   LYS  13          3HZ       LYS  13   3.521   5.350  -6.518
   92    H    CYS  14           H        CYS  14   1.408   4.653   0.663
   93    HA   CYS  14           HA       CYS  14  -0.292   3.453  -1.390
   94   1HB   CYS  14          1HB       CYS  14  -0.185   1.552   0.473
   95   2HB   CYS  14          2HB       CYS  14   1.092   1.773  -0.718
   96    H    VAL  15           H        VAL  15  -0.383   4.255   2.076
   97    HA   VAL  15           HA       VAL  15  -2.929   3.170   2.558
   98    HB   VAL  15           HB       VAL  15  -1.271   3.669   4.309
   99   1HG1  VAL  15          1HG1      VAL  15  -0.968   5.923   5.114
  100   2HG1  VAL  15          2HG1      VAL  15  -0.515   5.785   3.412
  101   3HG1  VAL  15          3HG1      VAL  15  -2.050   6.533   3.859
  102   1HG2  VAL  15          1HG2      VAL  15  -3.942   5.011   4.735
  103   2HG2  VAL  15          2HG2      VAL  15  -3.576   3.304   4.975
  104   3HG2  VAL  15          3HG2      VAL  15  -2.825   4.518   6.011
  105    H    LYS  16           H        LYS  16  -2.116   5.932   0.806
  106    HA   LYS  16           HA       LYS  16  -4.741   7.126   1.229
  107   1HB   LYS  16          1HB       LYS  16  -2.797   8.628   1.156
  108   2HB   LYS  16          2HB       LYS  16  -2.423   8.068  -0.468
  109   1HG   LYS  16          1HG       LYS  16  -4.510   8.992  -1.290
  110   2HG   LYS  16          2HG       LYS  16  -4.937   9.513   0.341
  111   1HD   LYS  16          1HD       LYS  16  -4.075  11.383  -0.938
  112   2HD   LYS  16          2HD       LYS  16  -2.962  10.982   0.370
  113   1HE   LYS  16          1HE       LYS  16  -2.549   9.788  -2.336
  114   2HE   LYS  16          2HE       LYS  16  -2.077  11.460  -2.051
  115   1HZ   LYS  16          1HZ       LYS  16  -1.116   9.118  -0.494
  116   2HZ   LYS  16          2HZ       LYS  16  -0.652  10.727  -0.253
  117   3HZ   LYS  16          3HZ       LYS  16  -0.238   9.933  -1.695
  118    H    ILE  17           H        ILE  17  -2.764   5.791  -1.436
  119    HA   ILE  17           HA       ILE  17  -4.991   6.134  -3.254
  120    HB   ILE  17           HB       ILE  17  -2.619   6.586  -3.918
  121   1HG1  ILE  17          1HG1      ILE  17  -3.005   5.972  -6.168
  122   2HG1  ILE  17          2HG1      ILE  17  -3.894   4.523  -5.702
  123   1HG2  ILE  17          1HG2      ILE  17  -1.233   4.723  -4.655
  124   2HG2  ILE  17          2HG2      ILE  17  -1.547   4.646  -2.921
  125   3HG2  ILE  17          3HG2      ILE  17  -2.425   3.586  -4.022
  126   1HD1  ILE  17          1HD1      ILE  17  -5.372   6.251  -6.583
  127   2HD1  ILE  17          2HD1      ILE  17  -5.731   5.894  -4.890
  128   3HD1  ILE  17          3HD1      ILE  17  -4.839   7.357  -5.317
  129    H    CYS  18           H        CYS  18  -3.408   3.495  -1.591
  130    HA   CYS  18           HA       CYS  18  -4.465   1.373  -3.127
  131   1HB   CYS  18          1HB       CYS  18  -2.622   1.355  -1.279
  132   2HB   CYS  18          2HB       CYS  18  -3.968   1.143  -0.168
  133    H    ILE  19           H        ILE  19  -5.798   3.418  -0.705
  134    HA   ILE  19           HA       ILE  19  -8.079   1.798  -0.121
  135    HB   ILE  19           HB       ILE  19  -7.304   4.625   0.565
  136   1HG1  ILE  19          1HG1      ILE  19  -7.446   3.794   2.882
  137   2HG1  ILE  19          2HG1      ILE  19  -7.928   2.214   2.285
  138   1HG2  ILE  19          1HG2      ILE  19  -9.370   4.843   1.882
  139   2HG2  ILE  19          2HG2      ILE  19  -9.680   4.740   0.151
  140   3HG2  ILE  19          3HG2      ILE  19  -9.959   3.336   1.182
  141   1HD1  ILE  19          1HD1      ILE  19  -5.772   1.927   1.231
  142   2HD1  ILE  19          2HD1      ILE  19  -5.291   3.548   1.731
  143   3HD1  ILE  19          3HD1      ILE  19  -5.575   2.299   2.943
  144    H    ASP  20           H        ASP  20  -7.291   4.361  -2.342
  145    HA   ASP  20           HA       ASP  20  -9.998   4.833  -3.187
  146   1HB   ASP  20          1HB       ASP  20  -8.367   6.623  -3.375
  147   2HB   ASP  20          2HB       ASP  20  -7.326   5.622  -4.380
  148    H    ARG  21           H        ARG  21  -7.281   2.903  -4.184
  149    HA   ARG  21           HA       ARG  21  -8.376   2.106  -6.694
  150   1HB   ARG  21          1HB       ARG  21  -6.081   1.053  -5.047
  151   2HB   ARG  21          2HB       ARG  21  -6.509   0.407  -6.621
  152   1HG   ARG  21          1HG       ARG  21  -6.057   2.548  -7.658
  153   2HG   ARG  21          2HG       ARG  21  -5.710   3.257  -6.079
  154   1HD   ARG  21          1HD       ARG  21  -3.807   1.863  -5.783
  155   2HD   ARG  21          2HD       ARG  21  -4.202   0.914  -7.218
  156    HE   ARG  21           HE       ARG  21  -3.780   3.716  -7.750
  157   1HH1  ARG  21          2HH1      ARG  21  -2.278   0.562  -7.481
  158   2HH1  ARG  21          1HH1      ARG  21  -0.878   1.004  -8.405
  159   1HH2  ARG  21          2HH2      ARG  21  -1.923   4.314  -8.952
  160   2HH2  ARG  21          1HH2      ARG  21  -0.663   3.142  -9.228
  161    H    TYR  22           H        TYR  22  -8.024   0.424  -3.533
  162    HA   TYR  22           HA       TYR  22  -9.575  -1.773  -4.721
  163   1HB   TYR  22          1HB       TYR  22  -7.565  -1.903  -2.469
  164   2HB   TYR  22          2HB       TYR  22  -8.440  -3.268  -3.155
  165    HD1  TYR  22           1HD      TYR  22  -5.631  -1.006  -3.536
  166    HD2  TYR  22           2HD      TYR  22  -7.948  -4.011  -5.466
  167    HE1  TYR  22           1HE      TYR  22  -3.841  -1.320  -5.184
  168    HE2  TYR  22           2HE      TYR  22  -6.159  -4.333  -7.121
  169    HH   TYR  22           HH       TYR  22  -4.264  -3.031  -8.062
  170    H    ASN  23           H        ASN  23  -8.962  -2.123  -1.450
  171    HA   ASN  23           HA       ASN  23 -11.468  -1.080  -0.470
  172   1HB   ASN  23          1HB       ASN  23 -12.499  -3.249  -0.020
  173   2HB   ASN  23          2HB       ASN  23 -12.187  -3.090  -1.745
  174   1HD2  ASN  23          1HD2      ASN  23 -12.566  -5.507  -0.186
  175   2HD2  ASN  23          2HD2      ASN  23 -11.131  -6.453  -0.403
  176    H    THR  24           H        THR  24  -8.509  -1.213   0.133
  177    HA   THR  24           HA       THR  24  -8.498  -2.712   2.660
  178    HB   THR  24           HB       THR  24  -6.711  -3.258   1.045
  179    HG1  THR  24           1HG      THR  24  -6.273  -3.304   3.364
  180   1HG2  THR  24          1HG2      THR  24  -5.882  -0.376   1.400
  181   2HG2  THR  24          2HG2      THR  24  -6.540  -1.100  -0.068
  182   3HG2  THR  24          3HG2      THR  24  -4.966  -1.610   0.535
  183    H    ARG  25           H        ARG  25  -7.152  -1.637   4.431
  184    HA   ARG  25           HA       ARG  25  -7.096   1.281   4.280
  185   1HB   ARG  25          1HB       ARG  25  -8.087   1.560   6.483
  186   2HB   ARG  25          2HB       ARG  25  -9.213   0.734   5.418
  187   1HG   ARG  25          1HG       ARG  25  -7.445  -0.829   7.257
  188   2HG   ARG  25          2HG       ARG  25  -8.931  -0.086   7.849
  189   1HD   ARG  25          1HD       ARG  25  -8.782  -1.973   5.498
  190   2HD   ARG  25          2HD       ARG  25  -9.193  -2.459   7.144
  191    HE   ARG  25           HE       ARG  25 -10.873  -0.337   6.332
  192   1HH1  ARG  25          2HH1      ARG  25 -10.319  -3.744   5.738
  193   2HH1  ARG  25          1HH1      ARG  25 -11.984  -4.078   5.351
  194   1HH2  ARG  25          2HH2      ARG  25 -13.062  -0.777   5.848
  195   2HH2  ARG  25          1HH2      ARG  25 -13.542  -2.388   5.410
  196    H    GLY  26           H        GLY  26  -5.496  -1.501   4.796
  197   1HA   GLY  26          1HA       GLY  26  -3.718  -0.302   6.830
  198   2HA   GLY  26          2HA       GLY  26  -4.031  -2.029   6.721
  199    H    ALA  27           H        ALA  27  -2.832   0.653   4.711
  200    HA   ALA  27           HA       ALA  27  -0.980  -1.250   3.445
  201   1HB   ALA  27          1HB       ALA  27  -1.887   1.488   2.537
  202   2HB   ALA  27          2HB       ALA  27  -0.728   0.467   1.682
  203   3HB   ALA  27          3HB       ALA  27  -2.400  -0.063   1.871
  204    H    LYS  28           H        LYS  28   1.186  -1.020   3.697
  205    HA   LYS  28           HA       LYS  28   2.174   1.348   5.114
  206   1HB   LYS  28          1HB       LYS  28   1.580  -0.342   6.810
  207   2HB   LYS  28          2HB       LYS  28   2.632  -1.505   6.015
  208   1HG   LYS  28          1HG       LYS  28   4.566  -0.107   6.519
  209   2HG   LYS  28          2HG       LYS  28   3.510   1.075   7.298
  210   1HD   LYS  28          1HD       LYS  28   2.826  -0.630   8.928
  211   2HD   LYS  28          2HD       LYS  28   3.908  -1.792   8.156
  212   1HE   LYS  28          1HE       LYS  28   5.821  -0.354   8.693
  213   2HE   LYS  28          2HE       LYS  28   4.733   0.795   9.474
  214   1HZ   LYS  28          1HZ       LYS  28   5.774  -0.638  11.100
  215   2HZ   LYS  28          2HZ       LYS  28   5.200  -2.018  10.306
  216   3HZ   LYS  28          3HZ       LYS  28   4.107  -0.952  11.045
  217    H    CYS  29           H        CYS  29   4.343   1.790   4.843
  218    HA   CYS  29           HA       CYS  29   5.749   0.526   2.657
  219   1HB   CYS  29          1HB       CYS  29   5.948   2.928   2.974
  220   2HB   CYS  29          2HB       CYS  29   6.505   2.706   4.621
  221    H    ILE  30           H        ILE  30   6.698  -1.409   3.008
  222    HA   ILE  30           HA       ILE  30   7.731  -1.960   5.709
  223    HB   ILE  30           HB       ILE  30   5.587  -2.935   5.711
  224   1HG1  ILE  30          1HG1      ILE  30   6.066  -5.420   5.719
  225   2HG1  ILE  30          2HG1      ILE  30   7.681  -5.033   5.132
  226   1HG2  ILE  30          1HG2      ILE  30   4.768  -4.460   3.981
  227   2HG2  ILE  30          2HG2      ILE  30   5.103  -2.847   3.350
  228   3HG2  ILE  30          3HG2      ILE  30   6.233  -4.167   3.041
  229   1HD1  ILE  30          1HD1      ILE  30   7.622  -5.394   7.546
  230   2HD1  ILE  30          2HD1      ILE  30   8.127  -3.755   7.135
  231   3HD1  ILE  30          3HD1      ILE  30   6.490  -4.054   7.714
  232    H    ASN  31           H        ASN  31   7.724  -3.076   2.324
  233    HA   ASN  31           HA       ASN  31  10.250  -4.490   2.876
  234   1HB   ASN  31          1HB       ASN  31   8.267  -4.907   0.621
  235   2HB   ASN  31          2HB       ASN  31   9.768  -5.800   0.825
  236   1HD2  ASN  31          1HD2      ASN  31   6.487  -5.495   1.752
  237   2HD2  ASN  31          2HD2      ASN  31   6.435  -6.828   2.855
  238    H    GLY  32           H        GLY  32  10.221  -1.670   2.457
  239   1HA   GLY  32          1HA       GLY  32  11.425  -0.128   1.209
  240   2HA   GLY  32          2HA       GLY  32  11.874  -1.419   0.095
  241    H    ARG  33           H        ARG  33   8.768  -1.850   0.369
  242    HA   ARG  33           HA       ARG  33   7.848   0.271  -1.390
  243   1HB   ARG  33          1HB       ARG  33   6.858  -1.264  -2.953
  244   2HB   ARG  33          2HB       ARG  33   8.567  -1.644  -2.814
  245   1HG   ARG  33          1HG       ARG  33   8.038  -3.525  -1.351
  246   2HG   ARG  33          2HG       ARG  33   6.319  -3.132  -1.470
  247   1HD   ARG  33          1HD       ARG  33   6.450  -3.443  -3.912
  248   2HD   ARG  33          2HD       ARG  33   8.140  -3.919  -3.739
  249    HE   ARG  33           HE       ARG  33   5.815  -5.449  -2.745
  250   1HH1  ARG  33          2HH1      ARG  33   9.214  -5.246  -3.583
  251   2HH1  ARG  33          1HH1      ARG  33   9.439  -6.970  -3.626
  252   1HH2  ARG  33          2HH2      ARG  33   6.096  -7.702  -2.849
  253   2HH2  ARG  33          1HH2      ARG  33   7.662  -8.366  -3.218
  254    H    CYS  34           H        CYS  34   5.349  -0.213  -1.751
  255    HA   CYS  34           HA       CYS  34   4.293  -0.415   0.958
  256   1HB   CYS  34          1HB       CYS  34   3.441   0.927  -1.544
  257   2HB   CYS  34          2HB       CYS  34   2.185   0.440  -0.410
  258    H    THR  35           H        THR  35   3.225  -2.074   1.654
  259    HA   THR  35           HA       THR  35   1.834  -3.806  -0.278
  260    HB   THR  35           HB       THR  35   3.040  -4.617   2.381
  261    HG1  THR  35           1HG      THR  35   3.881  -5.255  -0.287
  262   1HG2  THR  35          1HG2      THR  35   2.530  -6.912   1.649
  263   2HG2  THR  35          2HG2      THR  35   1.722  -6.266   0.219
  264   3HG2  THR  35          3HG2      THR  35   1.070  -5.937   1.827
  265    H    CYS  36           H        CYS  36  -0.305  -4.090   0.056
  266    HA   CYS  36           HA       CYS  36  -1.500  -2.651   2.314
  267   1HB   CYS  36          1HB       CYS  36  -2.837  -3.674  -0.194
  268   2HB   CYS  36          2HB       CYS  36  -3.525  -2.578   0.998
  269    H    TYR  37           H        TYR  37  -2.406  -3.717   3.936
  270    HA   TYR  37           HA       TYR  37  -2.832  -6.616   3.632
  271   1HB   TYR  37          1HB       TYR  37  -2.454  -5.064   6.197
  272   2HB   TYR  37          2HB       TYR  37  -2.437  -6.811   6.002
  273    HD1  TYR  37           1HD      TYR  37  -0.533  -3.700   5.442
  274    HD2  TYR  37           2HD      TYR  37  -0.467  -7.952   5.239
  275    HE1  TYR  37           1HE      TYR  37   1.917  -3.647   5.220
  276    HE2  TYR  37           2HE      TYR  37   1.978  -7.908   5.004
  277    HH   TYR  37           HH       TYR  37   3.743  -6.405   4.322
  278    HA   PRO  38           HA       PRO  38  -7.105  -5.100   4.288
  279   1HB   PRO  38          1HB       PRO  38  -7.869  -7.198   2.418
  280   2HB   PRO  38          2HB       PRO  38  -8.051  -5.449   2.251
  281   1HG   PRO  38          1HG       PRO  38  -6.334  -6.863   0.719
  282   2HG   PRO  38          2HG       PRO  38  -5.991  -5.196   1.240
  283   1HD   PRO  38          1HD       PRO  38  -5.029  -7.777   2.462
  284   2HD   PRO  38          2HD       PRO  38  -4.087  -6.334   2.010
  Start of MODEL    5
    1    HN   PCA   1           H        PCA   1  -1.773 -11.260   0.303
    2    HA   PCA   1           HA       PCA   1  -3.018  -9.143   1.327
    3   1HB   PCA   1          1HB       PCA   1  -1.760  -8.258   2.998
    4   2HB   PCA   1          2HB       PCA   1  -0.349  -8.118   1.936
    5   1HG   PCA   1          1HG       PCA   1  -0.916 -10.080   3.961
    6   2HG   PCA   1          2HG       PCA   1   0.561  -9.857   2.997
    7    H    ILE   2           H        ILE   2  -2.589  -6.920   0.454
    8    HA   ILE   2           HA       ILE   2  -2.077  -7.061  -2.324
    9    HB   ILE   2           HB       ILE   2  -2.831  -4.895  -0.424
   10   1HG1  ILE   2          1HG1      ILE   2  -4.547  -4.513  -2.249
   11   2HG1  ILE   2          2HG1      ILE   2  -3.896  -5.939  -3.041
   12   1HG2  ILE   2          1HG2      ILE   2  -1.104  -3.736  -1.611
   13   2HG2  ILE   2          2HG2      ILE   2  -1.703  -4.334  -3.162
   14   3HG2  ILE   2          3HG2      ILE   2  -2.663  -3.187  -2.226
   15   1HD1  ILE   2          1HD1      ILE   2  -5.905  -6.445  -1.787
   16   2HD1  ILE   2          2HD1      ILE   2  -4.507  -7.299  -1.129
   17   3HD1  ILE   2          3HD1      ILE   2  -5.136  -5.870  -0.306
   18    H    ASP   3           H        ASP   3  -0.072  -7.399  -3.046
   19    HA   ASP   3           HA       ASP   3   1.985  -5.517  -2.112
   20   1HB   ASP   3          1HB       ASP   3   2.755  -7.797  -1.809
   21   2HB   ASP   3          2HB       ASP   3   2.338  -8.194  -3.476
   22    H    THR   4           H        THR   4   1.712  -3.808  -3.364
   23    HA   THR   4           HA       THR   4   0.897  -3.898  -6.079
   24    HB   THR   4           HB       THR   4   1.448  -1.488  -6.097
   25    HG1  THR   4           1HG      THR   4   2.207  -1.663  -3.379
   26   1HG2  THR   4          1HG2      THR   4  -0.083  -0.783  -4.317
   27   2HG2  THR   4          2HG2      THR   4   0.057  -2.370  -3.561
   28   3HG2  THR   4          3HG2      THR   4  -0.698  -2.213  -5.147
   29    H    ASN   5           H        ASN   5   3.882  -4.240  -4.467
   30    HA   ASN   5           HA       ASN   5   6.048  -4.345  -5.075
   31   1HB   ASN   5          1HB       ASN   5   4.792  -5.947  -6.814
   32   2HB   ASN   5          2HB       ASN   5   5.380  -4.742  -7.957
   33   1HD2  ASN   5          1HD2      ASN   5   6.217  -7.287  -5.796
   34   2HD2  ASN   5          2HD2      ASN   5   7.884  -7.415  -6.254
   35    H    VAL   6           H        VAL   6   4.783  -1.906  -5.017
   36    HA   VAL   6           HA       VAL   6   6.249  -0.338  -7.028
   37    HB   VAL   6           HB       VAL   6   3.543   0.302  -5.841
   38   1HG1  VAL   6          1HG1      VAL   6   5.206   1.863  -7.818
   39   2HG1  VAL   6          2HG1      VAL   6   3.560   2.260  -7.321
   40   3HG1  VAL   6          3HG1      VAL   6   4.875   2.317  -6.147
   41   1HG2  VAL   6          1HG2      VAL   6   3.381  -1.405  -7.558
   42   2HG2  VAL   6          2HG2      VAL   6   2.718   0.118  -8.152
   43   3HG2  VAL   6          3HG2      VAL   6   4.321  -0.407  -8.669
   44    H    LYS   7           H        LYS   7   7.716   0.849  -6.132
   45    HA   LYS   7           HA       LYS   7   8.341   0.975  -3.480
   46   1HB   LYS   7          1HB       LYS   7   8.947   3.087  -5.554
   47   2HB   LYS   7          2HB       LYS   7   9.776   2.898  -4.017
   48   1HG   LYS   7          1HG       LYS   7  10.644   0.753  -4.703
   49   2HG   LYS   7          2HG       LYS   7   9.741   0.850  -6.219
   50   1HD   LYS   7          1HD       LYS   7  11.918   2.743  -5.326
   51   2HD   LYS   7          2HD       LYS   7  12.079   1.482  -6.550
   52   1HE   LYS   7          1HE       LYS   7  10.568   2.586  -8.010
   53   2HE   LYS   7          2HE       LYS   7  10.062   3.710  -6.750
   54   1HZ   LYS   7          1HZ       LYS   7  11.599   4.715  -8.347
   55   2HZ   LYS   7          2HZ       LYS   7  12.791   3.587  -7.919
   56   3HZ   LYS   7          3HZ       LYS   7  12.234   4.711  -6.776
   57    H    CYS   8           H        CYS   8   7.976   2.282  -1.793
   58    HA   CYS   8           HA       CYS   8   5.631   4.012  -1.963
   59   1HB   CYS   8          1HB       CYS   8   5.496   3.808   0.413
   60   2HB   CYS   8          2HB       CYS   8   5.901   2.202  -0.186
   61    H    SER   9           H        SER   9   5.672   6.104  -0.928
   62    HA   SER   9           HA       SER   9   8.343   7.316  -0.664
   63   1HB   SER   9          1HB       SER   9   5.680   8.734  -0.953
   64   2HB   SER   9          2HB       SER   9   7.288   9.453  -1.066
   65    HG   SER   9           HG       SER   9   7.458   7.725  -2.867
   66    H    GLY  10           H        GLY  10   7.178   5.582   1.222
   67   1HA   GLY  10          1HA       GLY  10   7.076   5.807   3.636
   68   2HA   GLY  10          2HA       GLY  10   6.280   7.363   3.391
   69    H    SER  11           H        SER  11   5.185   5.258   4.962
   70    HA   SER  11           HA       SER  11   3.391   3.631   3.532
   71   1HB   SER  11          1HB       SER  11   2.222   3.507   5.816
   72   2HB   SER  11          2HB       SER  11   3.904   2.975   5.740
   73    HG   SER  11           HG       SER  11   3.283   4.460   7.515
   74    H    SER  12           H        SER  12   3.283   6.954   4.373
   75    HA   SER  12           HA       SER  12   0.556   7.404   4.681
   76   1HB   SER  12          1HB       SER  12   2.654   9.282   3.588
   77   2HB   SER  12          2HB       SER  12   1.074   9.751   4.216
   78    HG   SER  12           HG       SER  12   2.056   8.320   6.111
   79    H    LYS  13           H        LYS  13   2.436   7.015   1.743
   80    HA   LYS  13           HA       LYS  13   0.390   8.011   0.009
   81   1HB   LYS  13          1HB       LYS  13   2.730   7.882  -0.743
   82   2HB   LYS  13          2HB       LYS  13   2.680   6.126  -0.602
   83   1HG   LYS  13          1HG       LYS  13   1.026   5.985  -2.346
   84   2HG   LYS  13          2HG       LYS  13   0.927   7.744  -2.440
   85   1HD   LYS  13          1HD       LYS  13   3.391   6.106  -3.037
   86   2HD   LYS  13          2HD       LYS  13   2.284   6.755  -4.248
   87   1HE   LYS  13          1HE       LYS  13   2.762   9.036  -3.360
   88   2HE   LYS  13          2HE       LYS  13   3.991   8.323  -2.316
   89   1HZ   LYS  13          1HZ       LYS  13   5.047   7.442  -4.383
   90   2HZ   LYS  13          2HZ       LYS  13   5.072   9.132  -4.240
   91   3HZ   LYS  13          3HZ       LYS  13   3.957   8.389  -5.278
   92    H    CYS  14           H        CYS  14   1.449   4.784   0.981
   93    HA   CYS  14           HA       CYS  14  -0.370   3.363  -0.619
   94   1HB   CYS  14          1HB       CYS  14   0.482   2.073   1.890
   95   2HB   CYS  14          2HB       CYS  14   0.654   1.539   0.227
   96    H    VAL  15           H        VAL  15  -0.527   4.367   2.791
   97    HA   VAL  15           HA       VAL  15  -2.908   3.005   3.411
   98    HB   VAL  15           HB       VAL  15  -1.324   3.910   5.093
   99   1HG1  VAL  15          1HG1      VAL  15  -2.553   6.563   4.388
  100   2HG1  VAL  15          2HG1      VAL  15  -1.453   6.257   5.731
  101   3HG1  VAL  15          3HG1      VAL  15  -0.891   6.065   4.071
  102   1HG2  VAL  15          1HG2      VAL  15  -3.005   4.644   6.721
  103   2HG2  VAL  15          2HG2      VAL  15  -4.171   4.846   5.413
  104   3HG2  VAL  15          3HG2      VAL  15  -3.548   3.242   5.796
  105    H    LYS  16           H        LYS  16  -2.404   5.761   1.491
  106    HA   LYS  16           HA       LYS  16  -5.187   6.635   1.804
  107   1HB   LYS  16          1HB       LYS  16  -3.297   8.300   1.986
  108   2HB   LYS  16          2HB       LYS  16  -2.960   8.007   0.290
  109   1HG   LYS  16          1HG       LYS  16  -5.669   8.923   1.189
  110   2HG   LYS  16          2HG       LYS  16  -4.350  10.063   0.940
  111   1HD   LYS  16          1HD       LYS  16  -5.382   8.135  -1.138
  112   2HD   LYS  16          2HD       LYS  16  -5.833   9.837  -1.029
  113   1HE   LYS  16          1HE       LYS  16  -3.051   8.761  -1.489
  114   2HE   LYS  16          2HE       LYS  16  -4.095   9.482  -2.711
  115   1HZ   LYS  16          1HZ       LYS  16  -2.840  10.818  -0.383
  116   2HZ   LYS  16          2HZ       LYS  16  -4.081  11.532  -1.280
  117   3HZ   LYS  16          3HZ       LYS  16  -2.607  11.154  -2.029
  118    H    ILE  17           H        ILE  17  -2.801   5.765  -0.691
  119    HA   ILE  17           HA       ILE  17  -4.743   6.068  -2.777
  120    HB   ILE  17           HB       ILE  17  -2.272   6.529  -2.980
  121   1HG1  ILE  17          1HG1      ILE  17  -2.282   6.060  -5.318
  122   2HG1  ILE  17          2HG1      ILE  17  -3.359   4.684  -5.099
  123   1HG2  ILE  17          1HG2      ILE  17  -0.833   4.671  -3.662
  124   2HG2  ILE  17          2HG2      ILE  17  -1.418   4.469  -2.009
  125   3HG2  ILE  17          3HG2      ILE  17  -2.146   3.541  -3.322
  126   1HD1  ILE  17          1HD1      ILE  17  -4.520   6.598  -6.059
  127   2HD1  ILE  17          2HD1      ILE  17  -5.169   6.171  -4.470
  128   3HD1  ILE  17          3HD1      ILE  17  -4.097   7.566  -4.646
  129    H    CYS  18           H        CYS  18  -3.645   3.463  -0.830
  130    HA   CYS  18           HA       CYS  18  -4.378   1.325  -2.540
  131   1HB   CYS  18          1HB       CYS  18  -2.929   1.149  -0.514
  132   2HB   CYS  18          2HB       CYS  18  -4.362   1.332   0.483
  133    H    ILE  19           H        ILE  19  -6.201   3.573  -0.727
  134    HA   ILE  19           HA       ILE  19  -8.588   2.004  -0.570
  135    HB   ILE  19           HB       ILE  19  -8.279   4.999  -0.321
  136   1HG1  ILE  19          1HG1      ILE  19  -8.295   2.858   1.819
  137   2HG1  ILE  19          2HG1      ILE  19  -6.888   3.780   1.301
  138   1HG2  ILE  19          1HG2      ILE  19 -10.495   3.162   0.583
  139   2HG2  ILE  19          2HG2      ILE  19 -10.402   4.896   0.901
  140   3HG2  ILE  19          3HG2      ILE  19 -10.576   4.310  -0.755
  141   1HD1  ILE  19          1HD1      ILE  19  -7.970   5.836   2.079
  142   2HD1  ILE  19          2HD1      ILE  19  -9.339   4.881   2.652
  143   3HD1  ILE  19          3HD1      ILE  19  -7.742   4.661   3.373
  144    H    ASP  20           H        ASP  20  -7.088   4.077  -2.897
  145    HA   ASP  20           HA       ASP  20  -9.515   4.371  -4.475
  146   1HB   ASP  20          1HB       ASP  20  -8.032   6.278  -4.455
  147   2HB   ASP  20          2HB       ASP  20  -6.667   5.279  -4.943
  148    H    ARG  21           H        ARG  21  -6.379   2.761  -4.668
  149    HA   ARG  21           HA       ARG  21  -6.833   1.564  -7.200
  150   1HB   ARG  21          1HB       ARG  21  -4.954   0.682  -5.006
  151   2HB   ARG  21          2HB       ARG  21  -4.874   0.199  -6.694
  152   1HG   ARG  21          1HG       ARG  21  -4.396   2.502  -7.338
  153   2HG   ARG  21          2HG       ARG  21  -4.499   2.992  -5.637
  154   1HD   ARG  21          1HD       ARG  21  -2.619   1.668  -5.060
  155   2HD   ARG  21          2HD       ARG  21  -2.573   0.914  -6.655
  156    HE   ARG  21           HE       ARG  21  -2.242   3.797  -6.629
  157   1HH1  ARG  21          2HH1      ARG  21  -0.676   0.656  -6.689
  158   2HH1  ARG  21          1HH1      ARG  21   0.855   1.301  -7.196
  159   1HH2  ARG  21          2HH2      ARG  21  -0.257   4.634  -7.312
  160   2HH2  ARG  21          1HH2      ARG  21   1.104   3.577  -7.556
  161    H    TYR  22           H        TYR  22  -7.068   0.325  -3.882
  162    HA   TYR  22           HA       TYR  22  -8.416  -2.052  -4.951
  163   1HB   TYR  22          1HB       TYR  22  -6.904  -1.711  -2.350
  164   2HB   TYR  22          2HB       TYR  22  -7.684  -3.194  -2.897
  165    HD1  TYR  22           1HD      TYR  22  -6.732  -4.510  -4.686
  166    HD2  TYR  22           2HD      TYR  22  -4.844  -0.937  -3.376
  167    HE1  TYR  22           1HE      TYR  22  -4.697  -5.138  -5.916
  168    HE2  TYR  22           2HE      TYR  22  -2.806  -1.550  -4.598
  169    HH   TYR  22           HH       TYR  22  -2.736  -4.176  -6.849
  170    H    ASN  23           H        ASN  23  -8.554  -1.716  -1.624
  171    HA   ASN  23           HA       ASN  23 -10.955  -0.149  -1.439
  172   1HB   ASN  23          1HB       ASN  23 -12.370  -2.027  -0.639
  173   2HB   ASN  23          2HB       ASN  23 -11.938  -2.184  -2.339
  174   1HD2  ASN  23          1HD2      ASN  23 -10.519  -3.821  -2.953
  175   2HD2  ASN  23          2HD2      ASN  23 -10.141  -5.154  -1.917
  176    H    THR  24           H        THR  24  -8.184  -0.703  -0.203
  177    HA   THR  24           HA       THR  24  -9.094  -1.417   2.491
  178    HB   THR  24           HB       THR  24  -6.822  -2.504   2.751
  179    HG1  THR  24           1HG      THR  24  -5.873  -1.543   0.850
  180   1HG2  THR  24          1HG2      THR  24  -8.841  -3.557   0.769
  181   2HG2  THR  24          2HG2      THR  24  -8.803  -3.835   2.513
  182   3HG2  THR  24          3HG2      THR  24  -7.553  -4.534   1.483
  183    H    ARG  25           H        ARG  25  -8.608  -0.151   4.076
  184    HA   ARG  25           HA       ARG  25  -7.036   2.234   3.604
  185   1HB   ARG  25          1HB       ARG  25  -7.735   2.696   6.048
  186   2HB   ARG  25          2HB       ARG  25  -8.977   2.716   4.808
  187   1HG   ARG  25          1HG       ARG  25  -9.749   1.590   6.825
  188   2HG   ARG  25          2HG       ARG  25  -9.693   0.478   5.460
  189   1HD   ARG  25          1HD       ARG  25  -7.482  -0.328   6.286
  190   2HD   ARG  25          2HD       ARG  25  -7.699   0.693   7.714
  191    HE   ARG  25           HE       ARG  25  -9.959  -0.834   7.663
  192   1HH1  ARG  25          2HH1      ARG  25  -6.534  -1.535   7.616
  193   2HH1  ARG  25          1HH1      ARG  25  -6.701  -3.085   8.379
  194   1HH2  ARG  25          2HH2      ARG  25 -10.199  -2.856   8.682
  195   2HH2  ARG  25          1HH2      ARG  25  -8.797  -3.833   9.003
  196    H    GLY  26           H        GLY  26  -6.384  -0.862   4.640
  197   1HA   GLY  26          1HA       GLY  26  -4.385  -0.057   6.620
  198   2HA   GLY  26          2HA       GLY  26  -4.946  -1.698   6.324
  199    H    ALA  27           H        ALA  27  -2.614   0.685   5.547
  200    HA   ALA  27           HA       ALA  27  -1.237  -1.293   3.899
  201   1HB   ALA  27          1HB       ALA  27  -1.617   1.573   3.049
  202   2HB   ALA  27          2HB       ALA  27  -0.657   0.355   2.209
  203   3HB   ALA  27          3HB       ALA  27  -2.407   0.171   2.329
  204    H    LYS  28           H        LYS  28   0.941  -1.251   4.034
  205    HA   LYS  28           HA       LYS  28   2.265   0.883   5.510
  206   1HB   LYS  28          1HB       LYS  28   1.470  -0.880   7.145
  207   2HB   LYS  28          2HB       LYS  28   2.529  -2.017   6.330
  208   1HG   LYS  28          1HG       LYS  28   3.794   0.473   7.249
  209   2HG   LYS  28          2HG       LYS  28   3.216  -0.615   8.512
  210   1HD   LYS  28          1HD       LYS  28   4.513  -2.441   7.533
  211   2HD   LYS  28          2HD       LYS  28   5.079  -1.362   6.255
  212   1HE   LYS  28          1HE       LYS  28   6.752  -1.633   8.029
  213   2HE   LYS  28          2HE       LYS  28   6.199   0.035   7.899
  214   1HZ   LYS  28          1HZ       LYS  28   6.365  -0.674  10.202
  215   2HZ   LYS  28          2HZ       LYS  28   5.273  -1.939   9.923
  216   3HZ   LYS  28          3HZ       LYS  28   4.752  -0.333   9.803
  217    H    CYS  29           H        CYS  29   4.424   1.096   4.926
  218    HA   CYS  29           HA       CYS  29   5.139  -0.304   2.489
  219   1HB   CYS  29          1HB       CYS  29   5.446   2.119   2.590
  220   2HB   CYS  29          2HB       CYS  29   6.512   1.949   3.977
  221    H    ILE  30           H        ILE  30   6.212  -2.168   2.572
  222    HA   ILE  30           HA       ILE  30   7.495  -2.849   5.112
  223    HB   ILE  30           HB       ILE  30   5.762  -4.375   4.542
  224   1HG1  ILE  30          1HG1      ILE  30   7.012  -6.530   4.322
  225   2HG1  ILE  30          2HG1      ILE  30   8.471  -5.598   4.003
  226   1HG2  ILE  30          1HG2      ILE  30   5.652  -5.653   2.492
  227   2HG2  ILE  30          2HG2      ILE  30   5.642  -3.925   2.139
  228   3HG2  ILE  30          3HG2      ILE  30   7.113  -4.866   1.894
  229   1HD1  ILE  30          1HD1      ILE  30   6.830  -5.471   6.521
  230   2HD1  ILE  30          2HD1      ILE  30   8.357  -6.333   6.324
  231   3HD1  ILE  30          3HD1      ILE  30   8.312  -4.573   6.201
  232    H    ASN  31           H        ASN  31   8.113  -3.575   1.658
  233    HA   ASN  31           HA       ASN  31  10.959  -3.880   2.345
  234   1HB   ASN  31          1HB       ASN  31  11.128  -5.192   0.265
  235   2HB   ASN  31          2HB       ASN  31   9.922  -5.869   1.355
  236   1HD2  ASN  31          1HD2      ASN  31  10.243  -6.094  -1.569
  237   2HD2  ASN  31          2HD2      ASN  31   8.720  -5.588  -2.233
  238    H    GLY  32           H        GLY  32   9.305  -1.433   1.665
  239   1HA   GLY  32          1HA       GLY  32  10.261   0.562   0.756
  240   2HA   GLY  32          2HA       GLY  32  11.086  -0.431  -0.442
  241    H    ARG  33           H        ARG  33   8.196  -1.828  -0.363
  242    HA   ARG  33           HA       ARG  33   7.046  -0.009  -2.376
  243   1HB   ARG  33          1HB       ARG  33   5.962  -2.761  -2.037
  244   2HB   ARG  33          2HB       ARG  33   6.106  -1.773  -3.485
  245   1HG   ARG  33          1HG       ARG  33   8.492  -3.002  -2.163
  246   2HG   ARG  33          2HG       ARG  33   7.513  -3.871  -3.343
  247   1HD   ARG  33          1HD       ARG  33   7.866  -1.838  -4.867
  248   2HD   ARG  33          2HD       ARG  33   9.154  -1.389  -3.738
  249    HE   ARG  33           HE       ARG  33   9.105  -3.782  -5.443
  250   1HH1  ARG  33          2HH1      ARG  33  10.826  -1.628  -3.296
  251   2HH1  ARG  33          1HH1      ARG  33  12.367  -2.373  -3.570
  252   1HH2  ARG  33          2HH2      ARG  33  11.136  -4.772  -5.811
  253   2HH2  ARG  33          1HH2      ARG  33  12.542  -4.159  -4.998
  254    H    CYS  34           H        CYS  34   4.585  -0.174  -2.441
  255    HA   CYS  34           HA       CYS  34   3.564   0.168   0.256
  256   1HB   CYS  34          1HB       CYS  34   2.521   0.828  -2.486
  257   2HB   CYS  34          2HB       CYS  34   1.458   0.880  -1.080
  258    H    THR  35           H        THR  35   2.881  -1.560   1.282
  259    HA   THR  35           HA       THR  35   1.429  -3.641  -0.212
  260    HB   THR  35           HB       THR  35   3.140  -3.937   2.271
  261    HG1  THR  35           1HG      THR  35   3.610  -4.931  -0.363
  262   1HG2  THR  35          1HG2      THR  35   1.311  -5.552   2.252
  263   2HG2  THR  35          2HG2      THR  35   2.850  -6.355   1.933
  264   3HG2  THR  35          3HG2      THR  35   1.732  -6.031   0.607
  265    H    CYS  36           H        CYS  36  -0.585  -4.149   0.490
  266    HA   CYS  36           HA       CYS  36  -1.564  -2.657   2.829
  267   1HB   CYS  36          1HB       CYS  36  -3.219  -3.792   0.570
  268   2HB   CYS  36          2HB       CYS  36  -3.747  -2.661   1.823
  269    H    TYR  37           H        TYR  37  -2.518  -3.646   4.469
  270    HA   TYR  37           HA       TYR  37  -2.682  -6.589   4.400
  271   1HB   TYR  37          1HB       TYR  37  -1.974  -4.839   6.769
  272   2HB   TYR  37          2HB       TYR  37  -2.052  -6.595   6.764
  273    HD1  TYR  37           1HD      TYR  37  -0.252  -7.914   5.872
  274    HD2  TYR  37           2HD      TYR  37  -0.116  -3.664   5.642
  275    HE1  TYR  37           1HE      TYR  37   2.133  -8.025   5.289
  276    HE2  TYR  37           2HE      TYR  37   2.271  -3.768   5.061
  277    HH   TYR  37           HH       TYR  37   4.158  -5.309   5.337
  278    HA   PRO  38           HA       PRO  38  -6.892  -5.046   5.370
  279   1HB   PRO  38          1HB       PRO  38  -7.749  -7.332   3.761
  280   2HB   PRO  38          2HB       PRO  38  -8.039  -5.608   3.498
  281   1HG   PRO  38          1HG       PRO  38  -6.410  -7.015   1.885
  282   2HG   PRO  38          2HG       PRO  38  -6.079  -5.315   2.303
  283   1HD   PRO  38          1HD       PRO  38  -4.922  -7.812   3.530
  284   2HD   PRO  38          2HD       PRO  38  -4.080  -6.362   2.930
  Start of MODEL    6
    1    HN   PCA   1           H        PCA   1  -1.094 -11.402  -0.116
    2    HA   PCA   1           HA       PCA   1  -2.261  -9.486   1.207
    3   1HB   PCA   1          1HB       PCA   1  -0.786  -8.592   2.682
    4   2HB   PCA   1          2HB       PCA   1   0.226  -8.016   1.347
    5   1HG   PCA   1          1HG       PCA   1   0.651 -10.231   3.128
    6   2HG   PCA   1          2HG       PCA   1   1.732  -9.572   1.880
    7    H    ILE   2           H        ILE   2  -2.185  -7.097   0.440
    8    HA   ILE   2           HA       ILE   2  -2.038  -7.092  -2.449
    9    HB   ILE   2           HB       ILE   2  -2.815  -4.899  -0.514
   10   1HG1  ILE   2          1HG1      ILE   2  -4.368  -6.799  -0.514
   11   2HG1  ILE   2          2HG1      ILE   2  -5.110  -5.369  -1.222
   12   1HG2  ILE   2          1HG2      ILE   2  -2.014  -3.887  -2.540
   13   2HG2  ILE   2          2HG2      ILE   2  -3.001  -4.972  -3.522
   14   3HG2  ILE   2          3HG2      ILE   2  -3.772  -3.762  -2.495
   15   1HD1  ILE   2          1HD1      ILE   2  -3.960  -7.686  -2.757
   16   2HD1  ILE   2          2HD1      ILE   2  -5.671  -7.389  -2.450
   17   3HD1  ILE   2          3HD1      ILE   2  -4.748  -6.266  -3.447
   18    H    ASP   3           H        ASP   3   0.204  -7.288  -2.818
   19    HA   ASP   3           HA       ASP   3   1.852  -5.052  -1.882
   20   1HB   ASP   3          1HB       ASP   3   2.695  -7.395  -1.578
   21   2HB   ASP   3          2HB       ASP   3   2.760  -7.546  -3.331
   22    H    THR   4           H        THR   4   1.802  -3.371  -3.143
   23    HA   THR   4           HA       THR   4   1.010  -3.512  -5.884
   24    HB   THR   4           HB       THR   4   1.447  -1.062  -5.889
   25    HG1  THR   4           1HG      THR   4   2.157  -1.458  -3.150
   26   1HG2  THR   4          1HG2      THR   4  -0.295  -0.472  -4.251
   27   2HG2  THR   4          2HG2      THR   4  -0.148  -2.074  -3.526
   28   3HG2  THR   4          3HG2      THR   4  -0.736  -1.905  -5.181
   29    H    ASN   5           H        ASN   5   3.944  -3.923  -4.274
   30    HA   ASN   5           HA       ASN   5   6.118  -4.069  -4.911
   31   1HB   ASN   5          1HB       ASN   5   4.935  -4.266  -7.686
   32   2HB   ASN   5          2HB       ASN   5   6.603  -4.638  -7.281
   33   1HD2  ASN   5          1HD2      ASN   5   5.933  -5.959  -4.776
   34   2HD2  ASN   5          2HD2      ASN   5   5.219  -7.475  -5.208
   35    H    VAL   6           H        VAL   6   5.201  -1.589  -4.430
   36    HA   VAL   6           HA       VAL   6   6.366   0.108  -6.534
   37    HB   VAL   6           HB       VAL   6   4.122   0.730  -4.613
   38   1HG1  VAL   6          1HG1      VAL   6   4.019   2.941  -5.677
   39   2HG1  VAL   6          2HG1      VAL   6   5.573   2.687  -4.882
   40   3HG1  VAL   6          3HG1      VAL   6   5.446   2.548  -6.636
   41   1HG2  VAL   6          1HG2      VAL   6   3.433  -0.596  -6.538
   42   2HG2  VAL   6          2HG2      VAL   6   2.797   1.045  -6.657
   43   3HG2  VAL   6          3HG2      VAL   6   4.190   0.569  -7.626
   44    H    LYS   7           H        LYS   7   8.359   0.456  -5.825
   45    HA   LYS   7           HA       LYS   7   9.289   0.721  -3.254
   46   1HB   LYS   7          1HB       LYS   7  10.250   2.179  -5.718
   47   2HB   LYS   7          2HB       LYS   7  11.138   2.091  -4.204
   48   1HG   LYS   7          1HG       LYS   7  11.209  -0.373  -4.445
   49   2HG   LYS   7          2HG       LYS   7  10.437  -0.203  -6.024
   50   1HD   LYS   7          1HD       LYS   7  12.834  -0.413  -6.299
   51   2HD   LYS   7          2HD       LYS   7  12.320   1.212  -6.759
   52   1HE   LYS   7          1HE       LYS   7  12.945   1.955  -4.442
   53   2HE   LYS   7          2HE       LYS   7  13.658   0.360  -4.198
   54   1HZ   LYS   7          1HZ       LYS   7  14.453   2.321  -6.283
   55   2HZ   LYS   7          2HZ       LYS   7  15.137   0.784  -6.071
   56   3HZ   LYS   7          3HZ       LYS   7  15.320   1.968  -4.871
   57    H    CYS   8           H        CYS   8   8.907   2.094  -1.685
   58    HA   CYS   8           HA       CYS   8   8.124   4.851  -2.293
   59   1HB   CYS   8          1HB       CYS   8   6.330   4.604  -0.515
   60   2HB   CYS   8          2HB       CYS   8   6.018   3.757  -2.029
   61    H    SER   9           H        SER   9   8.635   6.334  -0.681
   62    HA   SER   9           HA       SER   9  10.439   5.384   1.397
   63   1HB   SER   9          1HB       SER   9  10.748   7.907   1.739
   64   2HB   SER   9          2HB       SER   9  11.309   7.248   0.201
   65    HG   SER   9           HG       SER   9  10.109   9.077  -0.233
   66    H    GLY  10           H        GLY  10   7.584   7.472   1.063
   67   1HA   GLY  10          1HA       GLY  10   6.955   7.035   3.898
   68   2HA   GLY  10          2HA       GLY  10   6.259   8.284   2.872
   69    H    SER  11           H        SER  11   5.485   5.607   4.468
   70    HA   SER  11           HA       SER  11   4.173   3.924   2.647
   71   1HB   SER  11          1HB       SER  11   3.507   4.431   5.562
   72   2HB   SER  11          2HB       SER  11   3.022   3.022   4.619
   73    HG   SER  11           HG       SER  11   5.087   3.083   6.049
   74    H    SER  12           H        SER  12   3.317   7.007   3.873
   75    HA   SER  12           HA       SER  12   0.545   6.676   4.164
   76   1HB   SER  12          1HB       SER  12   1.825   8.408   5.334
   77   2HB   SER  12          2HB       SER  12   2.131   9.222   3.800
   78    HG   SER  12           HG       SER  12  -0.349   8.849   5.126
   79    H    LYS  13           H        LYS  13   2.467   7.545   1.366
   80    HA   LYS  13           HA       LYS  13   0.350   8.808  -0.040
   81   1HB   LYS  13          1HB       LYS  13   2.937   7.619  -1.007
   82   2HB   LYS  13          2HB       LYS  13   1.788   8.427  -2.069
   83   1HG   LYS  13          1HG       LYS  13   2.001  10.435  -0.545
   84   2HG   LYS  13          2HG       LYS  13   3.367   9.604   0.202
   85   1HD   LYS  13          1HD       LYS  13   3.124  10.305  -2.722
   86   2HD   LYS  13          2HD       LYS  13   4.073  11.199  -1.533
   87   1HE   LYS  13          1HE       LYS  13   5.447   9.208  -1.145
   88   2HE   LYS  13          2HE       LYS  13   4.496   8.324  -2.340
   89   1HZ   LYS  13          1HZ       LYS  13   6.553   9.155  -3.300
   90   2HZ   LYS  13          2HZ       LYS  13   6.132  10.748  -2.879
   91   3HZ   LYS  13          3HZ       LYS  13   5.212   9.905  -4.028
   92    H    CYS  14           H        CYS  14   0.975   5.540   0.604
   93    HA   CYS  14           HA       CYS  14  -0.597   4.714  -1.719
   94   1HB   CYS  14          1HB       CYS  14   1.214   3.200   0.134
   95   2HB   CYS  14          2HB       CYS  14   0.135   2.396  -1.005
   96    H    VAL  15           H        VAL  15  -0.563   4.509   1.806
   97    HA   VAL  15           HA       VAL  15  -2.709   2.745   2.084
   98    HB   VAL  15           HB       VAL  15  -1.471   3.094   4.019
   99   1HG1  VAL  15          1HG1      VAL  15  -0.495   5.214   3.281
  100   2HG1  VAL  15          2HG1      VAL  15  -1.961   6.047   3.799
  101   3HG1  VAL  15          3HG1      VAL  15  -0.952   5.224   4.990
  102   1HG2  VAL  15          1HG2      VAL  15  -3.854   2.948   4.522
  103   2HG2  VAL  15          2HG2      VAL  15  -3.018   3.962   5.698
  104   3HG2  VAL  15          3HG2      VAL  15  -3.990   4.704   4.428
  105    H    LYS  16           H        LYS  16  -2.685   6.227   1.559
  106    HA   LYS  16           HA       LYS  16  -5.477   6.558   2.033
  107   1HB   LYS  16          1HB       LYS  16  -5.181   8.782   1.004
  108   2HB   LYS  16          2HB       LYS  16  -3.987   8.457   2.251
  109   1HG   LYS  16          1HG       LYS  16  -2.281   8.077   0.636
  110   2HG   LYS  16          2HG       LYS  16  -3.449   8.102  -0.688
  111   1HD   LYS  16          1HD       LYS  16  -2.722  10.426   1.101
  112   2HD   LYS  16          2HD       LYS  16  -2.219  10.205  -0.578
  113   1HE   LYS  16          1HE       LYS  16  -4.625  10.213  -1.228
  114   2HE   LYS  16          2HE       LYS  16  -5.029  10.598   0.446
  115   1HZ   LYS  16          1HZ       LYS  16  -3.452  12.259  -1.443
  116   2HZ   LYS  16          2HZ       LYS  16  -3.626  12.608   0.206
  117   3HZ   LYS  16          3HZ       LYS  16  -4.987  12.605  -0.806
  118    H    ILE  17           H        ILE  17  -3.530   5.966  -0.868
  119    HA   ILE  17           HA       ILE  17  -5.843   6.357  -2.571
  120    HB   ILE  17           HB       ILE  17  -3.673   7.188  -3.314
  121   1HG1  ILE  17          1HG1      ILE  17  -3.856   6.481  -5.604
  122   2HG1  ILE  17          2HG1      ILE  17  -4.609   4.962  -5.123
  123   1HG2  ILE  17          1HG2      ILE  17  -2.859   4.299  -3.440
  124   2HG2  ILE  17          2HG2      ILE  17  -1.943   5.644  -4.127
  125   3HG2  ILE  17          3HG2      ILE  17  -2.187   5.544  -2.383
  126   1HD1  ILE  17          1HD1      ILE  17  -6.578   6.158  -4.357
  127   2HD1  ILE  17          2HD1      ILE  17  -5.820   7.696  -4.781
  128   3HD1  ILE  17          3HD1      ILE  17  -6.230   6.536  -6.047
  129    H    CYS  18           H        CYS  18  -3.919   3.718  -1.361
  130    HA   CYS  18           HA       CYS  18  -4.840   1.640  -2.973
  131   1HB   CYS  18          1HB       CYS  18  -3.018   1.370  -1.379
  132   2HB   CYS  18          2HB       CYS  18  -4.117   1.582  -0.032
  133    H    ILE  19           H        ILE  19  -6.390   3.347  -0.391
  134    HA   ILE  19           HA       ILE  19  -8.569   1.686   0.137
  135    HB   ILE  19           HB       ILE  19  -8.477   4.707   0.132
  136   1HG1  ILE  19          1HG1      ILE  19  -8.138   2.743   2.405
  137   2HG1  ILE  19          2HG1      ILE  19  -6.826   3.620   1.624
  138   1HG2  ILE  19          1HG2      ILE  19 -10.777   3.876   0.063
  139   2HG2  ILE  19          2HG2      ILE  19 -10.448   2.847   1.460
  140   3HG2  ILE  19          3HG2      ILE  19 -10.405   4.604   1.629
  141   1HD1  ILE  19          1HD1      ILE  19  -9.105   4.850   3.159
  142   2HD1  ILE  19          2HD1      ILE  19  -7.449   4.647   3.735
  143   3HD1  ILE  19          3HD1      ILE  19  -7.788   5.729   2.382
  144    H    ASP  20           H        ASP  20  -8.066   4.053  -2.422
  145    HA   ASP  20           HA       ASP  20 -10.787   3.774  -3.385
  146   1HB   ASP  20          1HB       ASP  20  -9.752   5.978  -3.441
  147   2HB   ASP  20          2HB       ASP  20  -8.438   5.366  -4.440
  148    H    ARG  21           H        ARG  21  -7.675   2.472  -3.987
  149    HA   ARG  21           HA       ARG  21  -8.200   1.530  -6.643
  150   1HB   ARG  21          1HB       ARG  21  -6.084   0.732  -4.640
  151   2HB   ARG  21          2HB       ARG  21  -6.128   0.205  -6.313
  152   1HG   ARG  21          1HG       ARG  21  -5.856   2.508  -7.059
  153   2HG   ARG  21          2HG       ARG  21  -5.827   3.041  -5.371
  154   1HD   ARG  21          1HD       ARG  21  -3.842   1.748  -4.951
  155   2HD   ARG  21          2HD       ARG  21  -3.884   1.084  -6.583
  156    HE   ARG  21           HE       ARG  21  -3.780   3.833  -6.869
  157   1HH1  ARG  21          2HH1      ARG  21  -1.787   1.265  -5.580
  158   2HH1  ARG  21          1HH1      ARG  21  -0.297   2.150  -5.746
  159   1HH2  ARG  21          2HH2      ARG  21  -1.817   4.999  -7.137
  160   2HH2  ARG  21          1HH2      ARG  21  -0.314   4.259  -6.658
  161    H    TYR  22           H        TYR  22  -7.932  -0.063  -3.468
  162    HA   TYR  22           HA       TYR  22  -9.225  -2.401  -4.682
  163   1HB   TYR  22          1HB       TYR  22  -7.444  -2.281  -2.236
  164   2HB   TYR  22          2HB       TYR  22  -8.134  -3.739  -2.945
  165    HD1  TYR  22           1HD      TYR  22  -5.502  -1.240  -3.191
  166    HD2  TYR  22           2HD      TYR  22  -7.354  -4.525  -5.163
  167    HE1  TYR  22           1HE      TYR  22  -3.585  -1.397  -4.713
  168    HE2  TYR  22           2HE      TYR  22  -5.431  -4.699  -6.682
  169    HH   TYR  22           HH       TYR  22  -3.651  -3.252  -7.557
  170    H    ASN  23           H        ASN  23  -8.993  -2.404  -1.291
  171    HA   ASN  23           HA       ASN  23 -11.542  -1.184  -0.784
  172   1HB   ASN  23          1HB       ASN  23 -12.770  -3.176  -0.191
  173   2HB   ASN  23          2HB       ASN  23 -12.169  -3.362  -1.836
  174   1HD2  ASN  23          1HD2      ASN  23 -12.028  -4.509   1.414
  175   2HD2  ASN  23          2HD2      ASN  23 -11.043  -5.897   1.103
  176    H    THR  24           H        THR  24  -8.678  -1.333   0.174
  177    HA   THR  24           HA       THR  24  -9.207  -2.114   2.958
  178    HB   THR  24           HB       THR  24  -7.727  -3.763   2.098
  179    HG1  THR  24           1HG      THR  24  -6.369  -3.604   3.721
  180   1HG2  THR  24          1HG2      THR  24  -7.020  -2.561   0.087
  181   2HG2  THR  24          2HG2      THR  24  -5.648  -3.253   0.949
  182   3HG2  THR  24          3HG2      THR  24  -5.986  -1.526   1.072
  183    H    ARG  25           H        ARG  25  -7.695  -1.066   4.510
  184    HA   ARG  25           HA       ARG  25  -7.248   1.749   3.759
  185   1HB   ARG  25          1HB       ARG  25  -8.182   2.460   5.879
  186   2HB   ARG  25          2HB       ARG  25  -9.365   1.453   5.054
  187   1HG   ARG  25          1HG       ARG  25  -7.509   0.425   7.194
  188   2HG   ARG  25          2HG       ARG  25  -9.133   1.032   7.516
  189   1HD   ARG  25          1HD       ARG  25 -10.138  -0.795   6.620
  190   2HD   ARG  25          2HD       ARG  25  -8.881  -1.026   5.403
  191    HE   ARG  25           HE       ARG  25  -7.939  -1.604   8.042
  192   1HH1  ARG  25          2HH1      ARG  25  -9.912  -2.908   5.449
  193   2HH1  ARG  25          1HH1      ARG  25  -9.488  -4.562   5.790
  194   1HH2  ARG  25          2HH2      ARG  25  -7.375  -3.763   8.478
  195   2HH2  ARG  25          1HH2      ARG  25  -8.005  -5.048   7.484
  196    H    GLY  26           H        GLY  26  -5.743  -0.972   4.600
  197   1HA   GLY  26          1HA       GLY  26  -3.938   0.365   6.521
  198   2HA   GLY  26          2HA       GLY  26  -4.333  -1.344   6.599
  199    H    ALA  27           H        ALA  27  -2.913   1.053   4.387
  200    HA   ALA  27           HA       ALA  27  -1.199  -1.077   3.330
  201   1HB   ALA  27          1HB       ALA  27  -0.621   0.446   1.538
  202   2HB   ALA  27          2HB       ALA  27  -2.376   0.375   1.698
  203   3HB   ALA  27          3HB       ALA  27  -1.486   1.760   2.331
  204    H    LYS  28           H        LYS  28   1.004  -0.963   3.401
  205    HA   LYS  28           HA       LYS  28   2.276   1.213   4.861
  206   1HB   LYS  28          1HB       LYS  28   1.631  -0.307   6.647
  207   2HB   LYS  28          2HB       LYS  28   2.322  -1.670   5.777
  208   1HG   LYS  28          1HG       LYS  28   4.551  -0.667   6.008
  209   2HG   LYS  28          2HG       LYS  28   3.840   0.660   6.929
  210   1HD   LYS  28          1HD       LYS  28   3.100  -0.894   8.638
  211   2HD   LYS  28          2HD       LYS  28   3.723  -2.253   7.698
  212   1HE   LYS  28          1HE       LYS  28   5.985  -1.387   7.914
  213   2HE   LYS  28          2HE       LYS  28   5.380   0.017   8.794
  214   1HZ   LYS  28          1HZ       LYS  28   4.625  -1.433  10.554
  215   2HZ   LYS  28          2HZ       LYS  28   6.282  -1.674  10.281
  216   3HZ   LYS  28          3HZ       LYS  28   5.152  -2.804   9.705
  217    H    CYS  29           H        CYS  29   4.376   1.504   4.267
  218    HA   CYS  29           HA       CYS  29   5.392  -0.035   2.061
  219   1HB   CYS  29          1HB       CYS  29   6.460   2.290   3.665
  220   2HB   CYS  29          2HB       CYS  29   7.382   1.529   2.385
  221    H    ILE  30           H        ILE  30   6.027  -2.047   2.559
  222    HA   ILE  30           HA       ILE  30   7.213  -2.516   5.195
  223    HB   ILE  30           HB       ILE  30   5.272  -3.847   4.758
  224   1HG1  ILE  30          1HG1      ILE  30   6.215  -6.150   4.942
  225   2HG1  ILE  30          2HG1      ILE  30   7.800  -5.486   4.557
  226   1HG2  ILE  30          1HG2      ILE  30   4.961  -5.303   2.912
  227   2HG2  ILE  30          2HG2      ILE  30   5.450  -3.742   2.252
  228   3HG2  ILE  30          3HG2      ILE  30   6.614  -5.066   2.349
  229   1HD1  ILE  30          1HD1      ILE  30   6.121  -4.774   6.950
  230   2HD1  ILE  30          2HD1      ILE  30   7.541  -5.817   6.944
  231   3HD1  ILE  30          3HD1      ILE  30   7.707  -4.103   6.568
  232    H    ASN  31           H        ASN  31   7.712  -3.926   1.953
  233    HA   ASN  31           HA       ASN  31  10.515  -4.391   2.637
  234   1HB   ASN  31          1HB       ASN  31   8.784  -5.404   0.362
  235   2HB   ASN  31          2HB       ASN  31  10.497  -5.771   0.532
  236   1HD2  ASN  31          1HD2      ASN  31   8.146  -7.544   0.533
  237   2HD2  ASN  31          2HD2      ASN  31   8.237  -8.419   2.025
  238    H    GLY  32           H        GLY  32   9.626  -1.768   2.227
  239   1HA   GLY  32          1HA       GLY  32  10.431   0.107   1.129
  240   2HA   GLY  32          2HA       GLY  32  11.231  -0.950  -0.029
  241    H    ARG  33           H        ARG  33   8.084  -1.958   0.314
  242    HA   ARG  33           HA       ARG  33   7.136  -0.256  -1.892
  243   1HB   ARG  33          1HB       ARG  33   6.229  -3.095  -1.774
  244   2HB   ARG  33          2HB       ARG  33   6.409  -2.023  -3.163
  245   1HG   ARG  33          1HG       ARG  33   8.748  -3.150  -1.672
  246   2HG   ARG  33          2HG       ARG  33   7.983  -3.972  -3.038
  247   1HD   ARG  33          1HD       ARG  33   8.324  -1.922  -4.403
  248   2HD   ARG  33          2HD       ARG  33   9.215  -1.222  -3.051
  249    HE   ARG  33           HE       ARG  33  10.882  -2.974  -3.330
  250   1HH1  ARG  33          2HH1      ARG  33   8.652  -2.470  -5.995
  251   2HH1  ARG  33          1HH1      ARG  33   9.726  -3.147  -7.180
  252   1HH2  ARG  33          2HH2      ARG  33  12.284  -3.833  -4.888
  253   2HH2  ARG  33          1HH2      ARG  33  11.788  -3.918  -6.551
  254    H    CYS  34           H        CYS  34   4.822  -0.111  -2.055
  255    HA   CYS  34           HA       CYS  34   3.532   0.009   0.502
  256   1HB   CYS  34          1HB       CYS  34   2.222   0.340  -2.194
  257   2HB   CYS  34          2HB       CYS  34   1.692   1.003  -0.651
  258    H    THR  35           H        THR  35   2.826  -1.794   1.444
  259    HA   THR  35           HA       THR  35   1.328  -3.696  -0.229
  260    HB   THR  35           HB       THR  35   2.759  -4.242   2.383
  261    HG1  THR  35           1HG      THR  35   3.476  -4.483  -0.317
  262   1HG2  THR  35          1HG2      THR  35   0.794  -5.666   2.085
  263   2HG2  THR  35          2HG2      THR  35   2.278  -6.599   1.893
  264   3HG2  THR  35          3HG2      THR  35   1.351  -6.116   0.472
  265    H    CYS  36           H        CYS  36  -0.759  -3.919   0.197
  266    HA   CYS  36           HA       CYS  36  -1.878  -2.471   2.485
  267   1HB   CYS  36          1HB       CYS  36  -3.294  -3.594   0.069
  268   2HB   CYS  36          2HB       CYS  36  -3.970  -2.502   1.274
  269    H    TYR  37           H        TYR  37  -2.733  -3.482   4.138
  270    HA   TYR  37           HA       TYR  37  -3.113  -6.394   3.977
  271   1HB   TYR  37          1HB       TYR  37  -2.610  -4.691   6.425
  272   2HB   TYR  37          2HB       TYR  37  -2.707  -6.446   6.379
  273    HD1  TYR  37           1HD      TYR  37  -0.674  -3.533   5.307
  274    HD2  TYR  37           2HD      TYR  37  -0.819  -7.760   5.831
  275    HE1  TYR  37           1HE      TYR  37   1.761  -3.656   4.988
  276    HE2  TYR  37           2HE      TYR  37   1.612  -7.886   5.505
  277    HH   TYR  37           HH       TYR  37   3.408  -6.617   4.497
  278    HA   PRO  38           HA       PRO  38  -7.385  -4.901   4.634
  279   1HB   PRO  38          1HB       PRO  38  -8.071  -7.259   3.035
  280   2HB   PRO  38          2HB       PRO  38  -8.414  -5.556   2.712
  281   1HG   PRO  38          1HG       PRO  38  -6.645  -6.914   1.217
  282   2HG   PRO  38          2HG       PRO  38  -6.376  -5.205   1.645
  283   1HD   PRO  38          1HD       PRO  38  -5.259  -7.664   2.981
  284   2HD   PRO  38          2HD       PRO  38  -4.397  -6.219   2.397
  Start of MODEL    7
    1    HN   PCA   1           H        PCA   1  -3.436  -9.575   1.182
    2    HA   PCA   1           HA       PCA   1  -1.513  -7.941   2.086
    3   1HB   PCA   1          1HB       PCA   1   0.430  -9.112   2.371
    4   2HB   PCA   1          2HB       PCA   1   0.242  -9.956   0.822
    5   1HG   PCA   1          1HG       PCA   1  -0.564 -10.759   3.516
    6   2HG   PCA   1          2HG       PCA   1  -0.320 -11.747   2.056
    7    H    ILE   2           H        ILE   2  -2.264  -6.554   0.561
    8    HA   ILE   2           HA       ILE   2  -2.075  -7.069  -2.260
    9    HB   ILE   2           HB       ILE   2  -2.693  -4.570  -0.684
   10   1HG1  ILE   2          1HG1      ILE   2  -4.426  -6.291  -0.596
   11   2HG1  ILE   2          2HG1      ILE   2  -4.977  -4.893  -1.509
   12   1HG2  ILE   2          1HG2      ILE   2  -2.653  -4.926  -3.669
   13   2HG2  ILE   2          2HG2      ILE   2  -3.418  -3.570  -2.836
   14   3HG2  ILE   2          3HG2      ILE   2  -1.676  -3.819  -2.699
   15   1HD1  ILE   2          1HD1      ILE   2  -4.544  -6.100  -3.595
   16   2HD1  ILE   2          2HD1      ILE   2  -4.013  -7.501  -2.663
   17   3HD1  ILE   2          3HD1      ILE   2  -5.686  -6.953  -2.555
   18    H    ASP   3           H        ASP   3   0.038  -7.381  -2.880
   19    HA   ASP   3           HA       ASP   3   1.988  -5.340  -2.186
   20   1HB   ASP   3          1HB       ASP   3   2.160  -7.986  -3.585
   21   2HB   ASP   3          2HB       ASP   3   3.442  -6.798  -3.798
   22    H    THR   4           H        THR   4   1.573  -3.520  -3.194
   23    HA   THR   4           HA       THR   4   0.460  -3.354  -5.814
   24    HB   THR   4           HB       THR   4   0.981  -0.893  -5.557
   25    HG1  THR   4           1HG      THR   4   1.630  -1.504  -2.864
   26   1HG2  THR   4          1HG2      THR   4  -1.187  -1.799  -4.884
   27   2HG2  THR   4          2HG2      THR   4  -0.674  -0.527  -3.776
   28   3HG2  THR   4          3HG2      THR   4  -0.532  -2.220  -3.300
   29    H    ASN   5           H        ASN   5   3.558  -3.927  -4.688
   30    HA   ASN   5           HA       ASN   5   5.639  -3.950  -5.590
   31   1HB   ASN   5          1HB       ASN   5   3.860  -4.782  -7.600
   32   2HB   ASN   5          2HB       ASN   5   4.943  -3.641  -8.394
   33   1HD2  ASN   5          1HD2      ASN   5   4.654  -6.567  -8.651
   34   2HD2  ASN   5          2HD2      ASN   5   6.235  -7.212  -8.336
   35    H    VAL   6           H        VAL   6   4.987  -1.620  -4.619
   36    HA   VAL   6           HA       VAL   6   5.743   0.405  -6.607
   37    HB   VAL   6           HB       VAL   6   3.832   0.666  -4.279
   38   1HG1  VAL   6          1HG1      VAL   6   5.217   2.673  -4.423
   39   2HG1  VAL   6          2HG1      VAL   6   4.859   2.809  -6.147
   40   3HG1  VAL   6          3HG1      VAL   6   3.571   3.015  -4.961
   41   1HG2  VAL   6          1HG2      VAL   6   3.441   0.991  -7.250
   42   2HG2  VAL   6          2HG2      VAL   6   2.847  -0.339  -6.255
   43   3HG2  VAL   6          3HG2      VAL   6   2.215   1.291  -6.017
   44    H    LYS   7           H        LYS   7   7.849   0.642  -6.173
   45    HA   LYS   7           HA       LYS   7   9.150   0.636  -3.728
   46   1HB   LYS   7          1HB       LYS   7   9.852   2.505  -5.994
   47   2HB   LYS   7          2HB       LYS   7  10.941   1.775  -4.824
   48   1HG   LYS   7          1HG       LYS   7  10.680  -0.382  -5.828
   49   2HG   LYS   7          2HG       LYS   7   9.406   0.218  -6.892
   50   1HD   LYS   7          1HD       LYS   7  12.298   1.092  -6.917
   51   2HD   LYS   7          2HD       LYS   7  11.529   0.021  -8.089
   52   1HE   LYS   7          1HE       LYS   7  10.730   2.886  -7.569
   53   2HE   LYS   7          2HE       LYS   7  11.751   2.346  -8.901
   54   1HZ   LYS   7          1HZ       LYS   7   9.346   2.679  -9.454
   55   2HZ   LYS   7          2HZ       LYS   7   8.988   1.340  -8.479
   56   3HZ   LYS   7          3HZ       LYS   7   9.965   1.153  -9.850
   57    H    CYS   8           H        CYS   8   8.979   1.962  -1.999
   58    HA   CYS   8           HA       CYS   8   7.897   4.665  -2.426
   59   1HB   CYS   8          1HB       CYS   8   6.530   4.250  -0.321
   60   2HB   CYS   8          2HB       CYS   8   6.001   3.409  -1.776
   61    H    SER   9           H        SER   9   8.271   6.160  -0.732
   62    HA   SER   9           HA       SER   9  10.279   5.338   1.265
   63   1HB   SER   9          1HB       SER   9   9.894   8.092   0.063
   64   2HB   SER   9          2HB       SER   9  11.128   7.630   1.238
   65    HG   SER   9           HG       SER   9  11.407   5.923  -0.697
   66    H    GLY  10           H        GLY  10   7.141   6.000   0.798
   67   1HA   GLY  10          1HA       GLY  10   6.717   6.707   3.590
   68   2HA   GLY  10          2HA       GLY  10   6.053   7.807   2.388
   69    H    SER  11           H        SER  11   4.783   5.969   4.399
   70    HA   SER  11           HA       SER  11   3.454   3.998   2.720
   71   1HB   SER  11          1HB       SER  11   2.975   4.590   5.646
   72   2HB   SER  11          2HB       SER  11   2.544   3.127   4.761
   73    HG   SER  11           HG       SER  11   5.102   4.047   5.530
   74    H    SER  12           H        SER  12   2.885   7.137   4.017
   75    HA   SER  12           HA       SER  12   0.130   7.018   4.485
   76   1HB   SER  12          1HB       SER  12   1.557   8.774   5.412
   77   2HB   SER  12          2HB       SER  12   1.837   9.420   3.796
   78    HG   SER  12           HG       SER  12  -0.089  10.316   3.797
   79    H    LYS  13           H        LYS  13   1.920   8.014   1.581
   80    HA   LYS  13           HA       LYS  13  -0.334   8.875   0.126
   81   1HB   LYS  13          1HB       LYS  13   2.305   7.774  -0.850
   82   2HB   LYS  13          2HB       LYS  13   1.107   8.552  -1.879
   83   1HG   LYS  13          1HG       LYS  13   2.550   9.840   0.436
   84   2HG   LYS  13          2HG       LYS  13   2.909  10.081  -1.274
   85   1HD   LYS  13          1HD       LYS  13   0.268  10.729   0.029
   86   2HD   LYS  13          2HD       LYS  13   1.547  11.906  -0.276
   87   1HE   LYS  13          1HE       LYS  13   0.174  10.250  -2.392
   88   2HE   LYS  13          2HE       LYS  13  -0.227  11.923  -2.003
   89   1HZ   LYS  13          1HZ       LYS  13   2.418  10.977  -2.976
   90   2HZ   LYS  13          2HZ       LYS  13   1.990  12.586  -2.645
   91   3HZ   LYS  13          3HZ       LYS  13   1.244  11.754  -3.922
   92    H    CYS  14           H        CYS  14   0.951   5.719   0.763
   93    HA   CYS  14           HA       CYS  14  -0.532   4.475  -1.381
   94   1HB   CYS  14          1HB       CYS  14   1.226   3.381   0.796
   95   2HB   CYS  14          2HB       CYS  14   0.365   2.352  -0.348
   96    H    VAL  15           H        VAL  15  -0.667   4.529   2.163
   97    HA   VAL  15           HA       VAL  15  -2.673   2.596   2.430
   98    HB   VAL  15           HB       VAL  15  -1.409   3.175   4.350
   99   1HG1  VAL  15          1HG1      VAL  15  -1.378   5.366   5.342
  100   2HG1  VAL  15          2HG1      VAL  15  -0.875   5.444   3.648
  101   3HG1  VAL  15          3HG1      VAL  15  -2.498   5.963   4.115
  102   1HG2  VAL  15          1HG2      VAL  15  -3.123   3.704   6.016
  103   2HG2  VAL  15          2HG2      VAL  15  -4.214   4.216   4.731
  104   3HG2  VAL  15          3HG2      VAL  15  -3.706   2.528   4.839
  105    H    LYS  16           H        LYS  16  -2.901   6.062   1.783
  106    HA   LYS  16           HA       LYS  16  -5.752   6.086   2.152
  107   1HB   LYS  16          1HB       LYS  16  -5.698   8.373   1.450
  108   2HB   LYS  16          2HB       LYS  16  -4.314   8.105   2.496
  109   1HG   LYS  16          1HG       LYS  16  -2.812   8.115   0.666
  110   2HG   LYS  16          2HG       LYS  16  -4.133   8.042  -0.501
  111   1HD   LYS  16          1HD       LYS  16  -4.898  10.268   0.376
  112   2HD   LYS  16          2HD       LYS  16  -3.406  10.338   1.312
  113   1HE   LYS  16          1HE       LYS  16  -2.088  10.244  -0.718
  114   2HE   LYS  16          2HE       LYS  16  -3.547  10.052  -1.688
  115   1HZ   LYS  16          1HZ       LYS  16  -2.832  12.433  -0.061
  116   2HZ   LYS  16          2HZ       LYS  16  -4.265  12.251  -0.950
  117   3HZ   LYS  16          3HZ       LYS  16  -2.772  12.326  -1.755
  118    H    ILE  17           H        ILE  17  -3.552   5.712  -0.576
  119    HA   ILE  17           HA       ILE  17  -5.711   6.042  -2.478
  120    HB   ILE  17           HB       ILE  17  -3.365   6.857  -2.894
  121   1HG1  ILE  17          1HG1      ILE  17  -3.511   6.484  -5.255
  122   2HG1  ILE  17          2HG1      ILE  17  -4.400   4.981  -5.018
  123   1HG2  ILE  17          1HG2      ILE  17  -2.853   3.937  -3.394
  124   2HG2  ILE  17          2HG2      ILE  17  -1.766   5.252  -3.845
  125   3HG2  ILE  17          3HG2      ILE  17  -2.113   4.940  -2.143
  126   1HD1  ILE  17          1HD1      ILE  17  -6.299   6.231  -4.157
  127   2HD1  ILE  17          2HD1      ILE  17  -5.409   7.742  -4.376
  128   3HD1  ILE  17          3HD1      ILE  17  -5.855   6.770  -5.779
  129    H    CYS  18           H        CYS  18  -4.055   3.479  -0.897
  130    HA   CYS  18           HA       CYS  18  -4.734   1.372  -2.640
  131   1HB   CYS  18          1HB       CYS  18  -3.094   1.043  -0.884
  132   2HB   CYS  18          2HB       CYS  18  -4.295   1.332   0.363
  133    H    ILE  19           H        ILE  19  -6.623   3.263  -0.491
  134    HA   ILE  19           HA       ILE  19  -8.826   1.459  -0.285
  135    HB   ILE  19           HB       ILE  19  -8.805   4.457   0.093
  136   1HG1  ILE  19          1HG1      ILE  19  -8.489   2.250   2.141
  137   2HG1  ILE  19          2HG1      ILE  19  -7.191   3.287   1.560
  138   1HG2  ILE  19          1HG2      ILE  19 -10.814   4.095   1.434
  139   2HG2  ILE  19          2HG2      ILE  19 -11.047   3.548  -0.227
  140   3HG2  ILE  19          3HG2      ILE  19 -10.762   2.372   1.057
  141   1HD1  ILE  19          1HD1      ILE  19  -7.983   4.018   3.723
  142   2HD1  ILE  19          2HD1      ILE  19  -8.340   5.232   2.494
  143   3HD1  ILE  19          3HD1      ILE  19  -9.622   4.177   3.091
  144    H    ASP  20           H        ASP  20  -7.809   3.929  -2.517
  145    HA   ASP  20           HA       ASP  20 -10.346   3.978  -3.922
  146   1HB   ASP  20          1HB       ASP  20  -9.178   6.064  -3.864
  147   2HB   ASP  20          2HB       ASP  20  -7.681   5.312  -4.406
  148    H    ARG  21           H        ARG  21  -7.060   2.807  -4.451
  149    HA   ARG  21           HA       ARG  21  -7.538   1.757  -7.045
  150   1HB   ARG  21          1HB       ARG  21  -5.410   1.100  -5.002
  151   2HB   ARG  21          2HB       ARG  21  -5.407   0.507  -6.658
  152   1HG   ARG  21          1HG       ARG  21  -5.198   2.744  -7.515
  153   2HG   ARG  21          2HG       ARG  21  -5.370   3.413  -5.888
  154   1HD   ARG  21          1HD       ARG  21  -3.303   2.381  -5.204
  155   2HD   ARG  21          2HD       ARG  21  -3.131   1.595  -6.774
  156    HE   ARG  21           HE       ARG  21  -3.354   4.389  -7.130
  157   1HH1  ARG  21          2HH1      ARG  21  -1.078   1.937  -6.080
  158   2HH1  ARG  21          1HH1      ARG  21   0.315   2.928  -6.380
  159   1HH2  ARG  21          2HH2      ARG  21  -1.520   5.683  -7.536
  160   2HH2  ARG  21          1HH2      ARG  21   0.064   5.044  -7.202
  161    H    TYR  22           H        TYR  22  -7.706   0.372  -3.795
  162    HA   TYR  22           HA       TYR  22  -8.968  -1.991  -5.006
  163   1HB   TYR  22          1HB       TYR  22  -7.289  -1.946  -2.485
  164   2HB   TYR  22          2HB       TYR  22  -8.045  -3.362  -3.213
  165    HD1  TYR  22           1HD      TYR  22  -7.189  -4.264  -5.344
  166    HD2  TYR  22           2HD      TYR  22  -5.252  -1.051  -3.346
  167    HE1  TYR  22           1HE      TYR  22  -5.183  -4.627  -6.717
  168    HE2  TYR  22           2HE      TYR  22  -3.240  -1.401  -4.710
  169    HH   TYR  22           HH       TYR  22  -3.217  -3.422  -7.474
  170    H    ASN  23           H        ASN  23  -8.843  -1.987  -1.639
  171    HA   ASN  23           HA       ASN  23 -11.115  -0.314  -1.127
  172   1HB   ASN  23          1HB       ASN  23 -12.096  -2.402  -2.174
  173   2HB   ASN  23          2HB       ASN  23 -11.519  -3.284  -0.763
  174   1HD2  ASN  23          1HD2      ASN  23 -13.767  -0.890  -1.934
  175   2HD2  ASN  23          2HD2      ASN  23 -14.800  -0.900  -0.543
  176    H    THR  24           H        THR  24  -8.288  -1.428  -0.150
  177    HA   THR  24           HA       THR  24  -9.105  -2.044   2.588
  178    HB   THR  24           HB       THR  24  -7.984  -3.927   1.927
  179    HG1  THR  24           1HG      THR  24  -6.162  -3.961   3.142
  180   1HG2  THR  24          1HG2      THR  24  -7.295  -3.152  -0.269
  181   2HG2  THR  24          2HG2      THR  24  -5.964  -3.978   0.545
  182   3HG2  THR  24          3HG2      THR  24  -5.985  -2.215   0.457
  183    H    ARG  25           H        ARG  25  -7.687  -1.343   4.308
  184    HA   ARG  25           HA       ARG  25  -6.852   1.431   3.775
  185   1HB   ARG  25          1HB       ARG  25  -7.685   1.692   6.249
  186   2HB   ARG  25          2HB       ARG  25  -8.823   1.732   4.914
  187   1HG   ARG  25          1HG       ARG  25  -9.573   0.387   6.874
  188   2HG   ARG  25          2HG       ARG  25  -9.541  -0.502   5.354
  189   1HD   ARG  25          1HD       ARG  25  -7.491  -1.607   5.974
  190   2HD   ARG  25          2HD       ARG  25  -7.346  -0.608   7.425
  191    HE   ARG  25           HE       ARG  25  -9.584  -1.744   8.035
  192   1HH1  ARG  25          2HH1      ARG  25  -6.896  -3.268   6.361
  193   2HH1  ARG  25          1HH1      ARG  25  -7.319  -4.872   6.881
  194   1HH2  ARG  25          2HH2      ARG  25 -10.110  -3.851   8.742
  195   2HH2  ARG  25          1HH2      ARG  25  -9.139  -5.201   8.229
  196    H    GLY  26           H        GLY  26  -5.248  -1.186   4.225
  197   1HA   GLY  26          1HA       GLY  26  -3.716  -0.198   6.556
  198   2HA   GLY  26          2HA       GLY  26  -4.073  -1.902   6.343
  199    H    ALA  27           H        ALA  27  -2.738   0.690   4.269
  200    HA   ALA  27           HA       ALA  27  -0.794  -1.278   3.302
  201   1HB   ALA  27          1HB       ALA  27  -0.345   0.319   1.496
  202   2HB   ALA  27          2HB       ALA  27  -2.061  -0.079   1.596
  203   3HB   ALA  27          3HB       ALA  27  -1.474   1.459   2.226
  204    H    LYS  28           H        LYS  28   1.272  -1.199   3.776
  205    HA   LYS  28           HA       LYS  28   2.359   1.250   4.983
  206   1HB   LYS  28          1HB       LYS  28   1.958  -0.244   6.834
  207   2HB   LYS  28          2HB       LYS  28   2.720  -1.582   5.986
  208   1HG   LYS  28          1HG       LYS  28   4.871  -0.474   6.111
  209   2HG   LYS  28          2HG       LYS  28   4.128   0.919   6.898
  210   1HD   LYS  28          1HD       LYS  28   3.564  -0.411   8.827
  211   2HD   LYS  28          2HD       LYS  28   4.113  -1.883   8.025
  212   1HE   LYS  28          1HE       LYS  28   6.390  -1.060   7.992
  213   2HE   LYS  28          2HE       LYS  28   5.873   0.476   8.685
  214   1HZ   LYS  28          1HZ       LYS  28   6.885  -1.206  10.258
  215   2HZ   LYS  28          2HZ       LYS  28   5.456  -2.102  10.086
  216   3HZ   LYS  28          3HZ       LYS  28   5.404  -0.532  10.729
  217    H    CYS  29           H        CYS  29   4.375   1.798   4.367
  218    HA   CYS  29           HA       CYS  29   5.600   0.353   2.183
  219   1HB   CYS  29          1HB       CYS  29   5.510   2.872   2.351
  220   2HB   CYS  29          2HB       CYS  29   6.623   2.765   3.709
  221    H    ILE  30           H        ILE  30   6.394  -1.578   2.947
  222    HA   ILE  30           HA       ILE  30   7.984  -1.469   5.421
  223    HB   ILE  30           HB       ILE  30   5.949  -2.566   5.932
  224   1HG1  ILE  30          1HG1      ILE  30   6.717  -4.888   6.487
  225   2HG1  ILE  30          2HG1      ILE  30   8.170  -4.572   5.546
  226   1HG2  ILE  30          1HG2      ILE  30   5.196  -3.110   3.687
  227   2HG2  ILE  30          2HG2      ILE  30   6.400  -4.394   3.581
  228   3HG2  ILE  30          3HG2      ILE  30   5.084  -4.512   4.752
  229   1HD1  ILE  30          1HD1      ILE  30   7.295  -3.051   7.991
  230   2HD1  ILE  30          2HD1      ILE  30   8.560  -4.276   7.925
  231   3HD1  ILE  30          3HD1      ILE  30   8.763  -2.756   7.056
  232    H    ASN  31           H        ASN  31   7.532  -3.598   2.568
  233    HA   ASN  31           HA       ASN  31  10.313  -4.451   2.877
  234   1HB   ASN  31          1HB       ASN  31   8.301  -6.052   2.485
  235   2HB   ASN  31          2HB       ASN  31   8.395  -5.517   0.812
  236   1HD2  ASN  31          1HD2      ASN  31  10.150  -6.152  -0.448
  237   2HD2  ASN  31          2HD2      ASN  31  11.235  -7.410   0.039
  238    H    GLY  32           H        GLY  32   9.992  -1.829   2.121
  239   1HA   GLY  32          1HA       GLY  32  10.948  -0.375   0.617
  240   2HA   GLY  32          2HA       GLY  32  11.379  -1.752  -0.393
  241    H    ARG  33           H        ARG  33   8.216  -2.118   0.245
  242    HA   ARG  33           HA       ARG  33   7.229  -0.294  -1.799
  243   1HB   ARG  33          1HB       ARG  33   6.186  -1.951  -3.096
  244   2HB   ARG  33          2HB       ARG  33   7.825  -2.534  -2.834
  245   1HG   ARG  33          1HG       ARG  33   7.123  -4.101  -1.221
  246   2HG   ARG  33          2HG       ARG  33   5.523  -3.365  -1.094
  247   1HD   ARG  33          1HD       ARG  33   5.183  -5.247  -2.392
  248   2HD   ARG  33          2HD       ARG  33   5.265  -3.933  -3.559
  249    HE   ARG  33           HE       ARG  33   7.575  -4.650  -4.023
  250   1HH1  ARG  33          2HH1      ARG  33   5.445  -6.887  -2.373
  251   2HH1  ARG  33          1HH1      ARG  33   6.258  -8.311  -2.958
  252   1HH2  ARG  33          2HH2      ARG  33   8.666  -6.530  -4.802
  253   2HH2  ARG  33          1HH2      ARG  33   8.089  -8.104  -4.327
  254    H    CYS  34           H        CYS  34   4.828  -0.272  -1.841
  255    HA   CYS  34           HA       CYS  34   3.810  -0.281   0.855
  256   1HB   CYS  34          1HB       CYS  34   2.438   0.420  -1.745
  257   2HB   CYS  34          2HB       CYS  34   1.806   0.754  -0.130
  258    H    THR  35           H        THR  35   3.308  -2.224   1.654
  259    HA   THR  35           HA       THR  35   1.660  -4.022   0.028
  260    HB   THR  35           HB       THR  35   2.936  -4.541   2.724
  261    HG1  THR  35           1HG      THR  35   3.789  -5.680   0.265
  262   1HG2  THR  35          1HG2      THR  35   1.639  -6.408   0.733
  263   2HG2  THR  35          2HG2      THR  35   0.987  -5.949   2.308
  264   3HG2  THR  35          3HG2      THR  35   2.467  -6.905   2.209
  265    H    CYS  36           H        CYS  36  -0.458  -4.176   0.377
  266    HA   CYS  36           HA       CYS  36  -1.622  -2.584   2.552
  267   1HB   CYS  36          1HB       CYS  36  -2.154  -2.612  -0.122
  268   2HB   CYS  36          2HB       CYS  36  -3.384  -3.715   0.483
  269    H    TYR  37           H        TYR  37  -2.456  -3.568   4.251
  270    HA   TYR  37           HA       TYR  37  -2.951  -6.463   4.121
  271   1HB   TYR  37          1HB       TYR  37  -2.466  -4.694   6.530
  272   2HB   TYR  37          2HB       TYR  37  -2.624  -6.445   6.547
  273    HD1  TYR  37           1HD      TYR  37  -0.780  -7.850   6.024
  274    HD2  TYR  37           2HD      TYR  37  -0.456  -3.636   5.471
  275    HE1  TYR  37           1HE      TYR  37   1.649  -8.080   5.723
  276    HE2  TYR  37           2HE      TYR  37   1.973  -3.861   5.171
  277    HH   TYR  37           HH       TYR  37   3.506  -6.859   4.679
  278    HA   PRO  38           HA       PRO  38  -7.237  -4.966   4.629
  279   1HB   PRO  38          1HB       PRO  38  -7.894  -7.358   3.076
  280   2HB   PRO  38          2HB       PRO  38  -8.177  -5.658   2.677
  281   1HG   PRO  38          1HG       PRO  38  -6.370  -7.089   1.308
  282   2HG   PRO  38          2HG       PRO  38  -6.069  -5.381   1.734
  283   1HD   PRO  38          1HD       PRO  38  -5.146  -7.848   3.211
  284   2HD   PRO  38          2HD       PRO  38  -4.164  -6.491   2.596
  Start of MODEL    8
    1    HN   PCA   1           H        PCA   1  -0.474 -11.318  -0.130
    2    HA   PCA   1           HA       PCA   1  -2.352  -9.959   0.967
    3   1HB   PCA   1          1HB       PCA   1  -1.417  -8.979   2.803
    4   2HB   PCA   1          2HB       PCA   1  -0.726  -7.762   1.716
    5   1HG   PCA   1          1HG       PCA   1   0.635  -9.730   3.224
    6   2HG   PCA   1          2HG       PCA   1   1.320  -8.599   2.035
    7    H    ILE   2           H        ILE   2  -2.270  -7.176   0.573
    8    HA   ILE   2           HA       ILE   2  -2.208  -7.076  -2.320
    9    HB   ILE   2           HB       ILE   2  -3.166  -5.115  -0.246
   10   1HG1  ILE   2          1HG1      ILE   2  -4.545  -6.662  -2.453
   11   2HG1  ILE   2          2HG1      ILE   2  -4.650  -6.988  -0.725
   12   1HG2  ILE   2          1HG2      ILE   2  -3.911  -3.677  -2.131
   13   2HG2  ILE   2          2HG2      ILE   2  -2.157  -3.756  -1.957
   14   3HG2  ILE   2          3HG2      ILE   2  -2.964  -4.686  -3.225
   15   1HD1  ILE   2          1HD1      ILE   2  -5.766  -4.838  -0.396
   16   2HD1  ILE   2          2HD1      ILE   2  -5.675  -4.531  -2.131
   17   3HD1  ILE   2          3HD1      ILE   2  -6.644  -5.873  -1.521
   18    H    ASP   3           H        ASP   3  -0.216  -6.919  -3.112
   19    HA   ASP   3           HA       ASP   3   1.479  -4.742  -2.132
   20   1HB   ASP   3          1HB       ASP   3   3.272  -5.753  -3.480
   21   2HB   ASP   3          2HB       ASP   3   2.595  -6.918  -2.350
   22    H    THR   4           H        THR   4   1.506  -2.879  -3.216
   23    HA   THR   4           HA       THR   4  -0.183  -2.611  -5.524
   24    HB   THR   4           HB       THR   4   0.574  -0.179  -5.389
   25    HG1  THR   4           1HG      THR   4   1.885   0.408  -3.772
   26   1HG2  THR   4          1HG2      THR   4  -0.818   0.289  -3.449
   27   2HG2  THR   4          2HG2      THR   4  -0.675  -1.388  -2.919
   28   3HG2  THR   4          3HG2      THR   4  -1.533  -1.006  -4.412
   29    H    ASN   5           H        ASN   5   2.916  -3.619  -5.211
   30    HA   ASN   5           HA       ASN   5   4.808  -3.659  -6.460
   31   1HB   ASN   5          1HB       ASN   5   3.151  -4.535  -8.155
   32   2HB   ASN   5          2HB       ASN   5   3.007  -2.892  -8.773
   33   1HD2  ASN   5          1HD2      ASN   5   3.785  -3.446 -10.795
   34   2HD2  ASN   5          2HD2      ASN   5   5.455  -3.831 -11.066
   35    H    VAL   6           H        VAL   6   4.307  -1.441  -5.063
   36    HA   VAL   6           HA       VAL   6   5.410   0.740  -6.701
   37    HB   VAL   6           HB       VAL   6   3.231   0.922  -4.607
   38   1HG1  VAL   6          1HG1      VAL   6   4.750   2.766  -4.246
   39   2HG1  VAL   6          2HG1      VAL   6   4.754   3.150  -5.969
   40   3HG1  VAL   6          3HG1      VAL   6   3.284   3.371  -5.020
   41   1HG2  VAL   6          1HG2      VAL   6   3.274   1.689  -7.526
   42   2HG2  VAL   6          2HG2      VAL   6   2.428   0.312  -6.819
   43   3HG2  VAL   6          3HG2      VAL   6   1.932   1.955  -6.415
   44    H    LYS   7           H        LYS   7   7.434   1.002  -5.953
   45    HA   LYS   7           HA       LYS   7   8.306   0.368  -3.351
   46   1HB   LYS   7          1HB       LYS   7   9.532   2.337  -5.296
   47   2HB   LYS   7          2HB       LYS   7  10.343   1.594  -3.920
   48   1HG   LYS   7          1HG       LYS   7  10.047  -0.610  -4.965
   49   2HG   LYS   7          2HG       LYS   7   9.290   0.172  -6.355
   50   1HD   LYS   7          1HD       LYS   7  11.424   1.523  -6.573
   51   2HD   LYS   7          2HD       LYS   7  12.139   0.398  -5.414
   52   1HE   LYS   7          1HE       LYS   7  12.654  -0.320  -7.660
   53   2HE   LYS   7          2HE       LYS   7  11.543  -1.468  -6.913
   54   1HZ   LYS   7          1HZ       LYS   7  10.801   0.677  -8.835
   55   2HZ   LYS   7          2HZ       LYS   7   9.715  -0.394  -8.098
   56   3HZ   LYS   7          3HZ       LYS   7  10.882  -0.984  -9.176
   57    H    CYS   8           H        CYS   8   8.437   1.560  -1.511
   58    HA   CYS   8           HA       CYS   8   6.651   3.881  -1.556
   59   1HB   CYS   8          1HB       CYS   8   6.331   3.356   0.867
   60   2HB   CYS   8          2HB       CYS   8   5.823   2.069  -0.222
   61    H    SER   9           H        SER   9   7.381   5.829  -1.119
   62    HA   SER   9           HA       SER   9   9.837   6.125   0.470
   63   1HB   SER   9          1HB       SER   9   9.670   8.550  -0.349
   64   2HB   SER   9          2HB       SER   9  10.053   7.337  -1.572
   65    HG   SER   9           HG       SER   9   7.828   7.348  -2.159
   66    H    GLY  10           H        GLY  10   6.934   5.539   1.150
   67   1HA   GLY  10          1HA       GLY  10   6.723   6.593   3.661
   68   2HA   GLY  10          2HA       GLY  10   5.945   7.781   2.618
   69    H    SER  11           H        SER  11   4.957   5.706   4.678
   70    HA   SER  11           HA       SER  11   3.504   3.753   3.214
   71   1HB   SER  11          1HB       SER  11   2.998   4.755   6.025
   72   2HB   SER  11          2HB       SER  11   2.438   3.229   5.338
   73    HG   SER  11           HG       SER  11   5.092   4.030   5.954
   74    H    SER  12           H        SER  12   2.862   7.052   4.016
   75    HA   SER  12           HA       SER  12   0.064   6.882   4.306
   76   1HB   SER  12          1HB       SER  12   1.730   9.295   3.569
   77   2HB   SER  12          2HB       SER  12   0.096   9.315   4.231
   78    HG   SER  12           HG       SER  12   0.863   8.510   6.153
   79    H    LYS  13           H        LYS  13   2.062   7.787   1.466
   80    HA   LYS  13           HA       LYS  13  -0.132   8.415  -0.190
   81   1HB   LYS  13          1HB       LYS  13   1.392   7.982  -2.103
   82   2HB   LYS  13          2HB       LYS  13   2.075   9.062  -0.896
   83   1HG   LYS  13          1HG       LYS  13   3.652   7.540  -0.227
   84   2HG   LYS  13          2HG       LYS  13   2.691   6.153  -0.740
   85   1HD   LYS  13          1HD       LYS  13   4.642   6.457  -2.178
   86   2HD   LYS  13          2HD       LYS  13   3.146   6.688  -3.077
   87   1HE   LYS  13          1HE       LYS  13   4.697   8.993  -1.923
   88   2HE   LYS  13          2HE       LYS  13   5.061   8.324  -3.510
   89   1HZ   LYS  13          1HZ       LYS  13   3.609  10.002  -4.033
   90   2HZ   LYS  13          2HZ       LYS  13   2.696   9.824  -2.618
   91   3HZ   LYS  13          3HZ       LYS  13   2.522   8.705  -3.886
   92    H    CYS  14           H        CYS  14   1.360   5.402   0.681
   93    HA   CYS  14           HA       CYS  14   0.192   3.780  -1.319
   94   1HB   CYS  14          1HB       CYS  14   0.959   2.874   1.449
   95   2HB   CYS  14          2HB       CYS  14   0.967   1.940  -0.033
   96    H    VAL  15           H        VAL  15  -0.600   4.160   2.125
   97    HA   VAL  15           HA       VAL  15  -2.891   2.578   2.121
   98    HB   VAL  15           HB       VAL  15  -1.892   3.123   4.201
   99   1HG1  VAL  15          1HG1      VAL  15  -1.707   5.359   5.078
  100   2HG1  VAL  15          2HG1      VAL  15  -0.874   5.205   3.527
  101   3HG1  VAL  15          3HG1      VAL  15  -2.443   6.008   3.611
  102   1HG2  VAL  15          1HG2      VAL  15  -3.752   4.016   5.515
  103   2HG2  VAL  15          2HG2      VAL  15  -4.523   4.588   4.034
  104   3HG2  VAL  15          3HG2      VAL  15  -4.317   2.858   4.308
  105    H    LYS  16           H        LYS  16  -2.462   5.973   1.338
  106    HA   LYS  16           HA       LYS  16  -5.181   6.706   1.281
  107   1HB   LYS  16          1HB       LYS  16  -3.483   8.401   1.337
  108   2HB   LYS  16          2HB       LYS  16  -2.768   7.810  -0.156
  109   1HG   LYS  16          1HG       LYS  16  -4.739   8.506  -1.397
  110   2HG   LYS  16          2HG       LYS  16  -5.495   9.066   0.096
  111   1HD   LYS  16          1HD       LYS  16  -3.787  10.735   0.392
  112   2HD   LYS  16          2HD       LYS  16  -2.882  10.109  -0.988
  113   1HE   LYS  16          1HE       LYS  16  -4.669  10.749  -2.490
  114   2HE   LYS  16          2HE       LYS  16  -5.659  11.279  -1.128
  115   1HZ   LYS  16          1HZ       LYS  16  -3.026  12.452  -1.839
  116   2HZ   LYS  16          2HZ       LYS  16  -4.095  13.011  -0.652
  117   3HZ   LYS  16          3HZ       LYS  16  -4.519  13.118  -2.290
  118    H    ILE  17           H        ILE  17  -2.986   5.686  -1.344
  119    HA   ILE  17           HA       ILE  17  -5.132   5.867  -3.262
  120    HB   ILE  17           HB       ILE  17  -2.736   6.439  -3.764
  121   1HG1  ILE  17          1HG1      ILE  17  -2.926   5.798  -6.046
  122   2HG1  ILE  17          2HG1      ILE  17  -3.838   4.347  -5.632
  123   1HG2  ILE  17          1HG2      ILE  17  -1.629   4.563  -2.725
  124   2HG2  ILE  17          2HG2      ILE  17  -2.428   3.449  -3.834
  125   3HG2  ILE  17          3HG2      ILE  17  -1.248   4.606  -4.447
  126   1HD1  ILE  17          1HD1      ILE  17  -4.830   7.170  -5.295
  127   2HD1  ILE  17          2HD1      ILE  17  -5.249   6.083  -6.623
  128   3HD1  ILE  17          3HD1      ILE  17  -5.738   5.687  -4.973
  129    H    CYS  18           H        CYS  18  -3.657   3.420  -1.360
  130    HA   CYS  18           HA       CYS  18  -4.406   1.148  -2.849
  131   1HB   CYS  18          1HB       CYS  18  -2.772   1.203  -0.933
  132   2HB   CYS  18          2HB       CYS  18  -4.140   1.302   0.164
  133    H    ILE  19           H        ILE  19  -6.209   3.272  -0.786
  134    HA   ILE  19           HA       ILE  19  -8.460   1.549  -0.452
  135    HB   ILE  19           HB       ILE  19  -8.375   4.568  -0.269
  136   1HG1  ILE  19          1HG1      ILE  19  -8.134   2.526   1.951
  137   2HG1  ILE  19          2HG1      ILE  19  -6.791   3.453   1.289
  138   1HG2  ILE  19          1HG2      ILE  19 -10.403   4.361   1.065
  139   2HG2  ILE  19          2HG2      ILE  19 -10.634   3.659  -0.537
  140   3HG2  ILE  19          3HG2      ILE  19 -10.373   2.611   0.859
  141   1HD1  ILE  19          1HD1      ILE  19  -7.592   4.393   3.388
  142   2HD1  ILE  19          2HD1      ILE  19  -7.832   5.515   2.047
  143   3HD1  ILE  19          3HD1      ILE  19  -9.197   4.598   2.684
  144    H    ASP  20           H        ASP  20  -7.529   4.036  -2.759
  145    HA   ASP  20           HA       ASP  20 -10.124   4.152  -3.996
  146   1HB   ASP  20          1HB       ASP  20  -8.472   6.065  -3.925
  147   2HB   ASP  20          2HB       ASP  20  -7.506   5.186  -5.105
  148    H    ARG  21           H        ARG  21  -7.008   2.683  -4.678
  149    HA   ARG  21           HA       ARG  21  -7.671   1.545  -7.173
  150   1HB   ARG  21          1HB       ARG  21  -5.585   1.026  -5.087
  151   2HB   ARG  21          2HB       ARG  21  -5.756  -0.067  -6.444
  152   1HG   ARG  21          1HG       ARG  21  -5.239   1.674  -7.999
  153   2HG   ARG  21          2HG       ARG  21  -5.271   2.889  -6.712
  154   1HD   ARG  21          1HD       ARG  21  -3.338   1.992  -5.693
  155   2HD   ARG  21          2HD       ARG  21  -3.407   0.527  -6.673
  156    HE   ARG  21           HE       ARG  21  -2.876   3.152  -7.913
  157   1HH1  ARG  21          2HH1      ARG  21  -2.010  -0.194  -7.337
  158   2HH1  ARG  21          1HH1      ARG  21  -0.633  -0.157  -8.393
  159   1HH2  ARG  21          2HH2      ARG  21  -1.040   3.204  -9.291
  160   2HH2  ARG  21          1HH2      ARG  21  -0.084   1.762  -9.497
  161    H    TYR  22           H        TYR  22  -7.537   0.124  -3.895
  162    HA   TYR  22           HA       TYR  22  -8.951  -2.202  -4.995
  163   1HB   TYR  22          1HB       TYR  22  -7.232  -2.102  -2.514
  164   2HB   TYR  22          2HB       TYR  22  -7.932  -3.539  -3.253
  165    HD1  TYR  22           1HD      TYR  22  -7.090  -4.312  -5.467
  166    HD2  TYR  22           2HD      TYR  22  -5.187  -1.181  -3.308
  167    HE1  TYR  22           1HE      TYR  22  -5.076  -4.598  -6.844
  168    HE2  TYR  22           2HE      TYR  22  -3.165  -1.456  -4.679
  169    HH   TYR  22           HH       TYR  22  -2.104  -3.360  -6.031
  170    H    ASN  23           H        ASN  23  -8.585  -1.828  -1.604
  171    HA   ASN  23           HA       ASN  23 -11.258  -0.876  -1.107
  172   1HB   ASN  23          1HB       ASN  23 -11.844  -3.079  -1.831
  173   2HB   ASN  23          2HB       ASN  23 -10.569  -3.802  -0.860
  174   1HD2  ASN  23          1HD2      ASN  23 -13.714  -2.289  -0.795
  175   2HD2  ASN  23          2HD2      ASN  23 -14.170  -2.872   0.770
  176    H    THR  24           H        THR  24  -8.113  -1.525  -0.048
  177    HA   THR  24           HA       THR  24  -8.940  -1.876   2.733
  178    HB   THR  24           HB       THR  24  -7.618  -3.721   2.004
  179    HG1  THR  24           1HG      THR  24  -6.063  -3.654   3.582
  180   1HG2  THR  24          1HG2      THR  24  -5.535  -1.716   1.143
  181   2HG2  THR  24          2HG2      THR  24  -6.553  -2.682   0.075
  182   3HG2  THR  24          3HG2      THR  24  -5.358  -3.471   1.106
  183    H    ARG  25           H        ARG  25  -7.299  -1.008   4.326
  184    HA   ARG  25           HA       ARG  25  -6.634   1.758   3.640
  185   1HB   ARG  25          1HB       ARG  25  -7.928   2.574   5.567
  186   2HB   ARG  25          2HB       ARG  25  -8.967   1.777   4.396
  187   1HG   ARG  25          1HG       ARG  25  -7.952   0.501   6.939
  188   2HG   ARG  25          2HG       ARG  25  -9.536   1.251   6.748
  189   1HD   ARG  25          1HD       ARG  25 -10.053  -0.374   4.960
  190   2HD   ARG  25          2HD       ARG  25  -8.489  -1.143   5.225
  191    HE   ARG  25           HE       ARG  25 -10.526  -0.999   7.352
  192   1HH1  ARG  25          2HH1      ARG  25  -8.233  -2.821   5.425
  193   2HH1  ARG  25          1HH1      ARG  25  -8.578  -4.334   6.197
  194   1HH2  ARG  25          2HH2      ARG  25 -11.005  -3.002   8.354
  195   2HH2  ARG  25          1HH2      ARG  25 -10.168  -4.438   7.845
  196    H    GLY  26           H        GLY  26  -5.403  -0.917   4.650
  197   1HA   GLY  26          1HA       GLY  26  -3.879   0.319   6.856
  198   2HA   GLY  26          2HA       GLY  26  -4.358  -1.374   6.887
  199    H    ALA  27           H        ALA  27  -2.374   0.998   5.194
  200    HA   ALA  27           HA       ALA  27  -0.830  -1.248   4.074
  201   1HB   ALA  27          1HB       ALA  27  -1.055   1.555   2.986
  202   2HB   ALA  27          2HB       ALA  27  -0.158   0.220   2.262
  203   3HB   ALA  27          3HB       ALA  27  -1.919   0.147   2.368
  204    H    LYS  28           H        LYS  28   1.338  -1.284   4.296
  205    HA   LYS  28           HA       LYS  28   2.565   0.857   5.901
  206   1HB   LYS  28          1HB       LYS  28   2.144  -1.048   7.354
  207   2HB   LYS  28          2HB       LYS  28   2.910  -2.133   6.204
  208   1HG   LYS  28          1HG       LYS  28   4.417  -1.751   8.005
  209   2HG   LYS  28          2HG       LYS  28   5.047  -0.933   6.577
  210   1HD   LYS  28          1HD       LYS  28   4.149   1.186   7.400
  211   2HD   LYS  28          2HD       LYS  28   3.523   0.370   8.834
  212   1HE   LYS  28          1HE       LYS  28   5.885  -0.331   9.335
  213   2HE   LYS  28          2HE       LYS  28   6.406   0.728   8.025
  214   1HZ   LYS  28          1HZ       LYS  28   5.232   2.561   9.241
  215   2HZ   LYS  28          2HZ       LYS  28   6.606   1.947  10.020
  216   3HZ   LYS  28          3HZ       LYS  28   5.060   1.497  10.553
  217    H    CYS  29           H        CYS  29   4.451   1.617   5.138
  218    HA   CYS  29           HA       CYS  29   5.717   0.417   2.839
  219   1HB   CYS  29          1HB       CYS  29   5.744   2.847   3.103
  220   2HB   CYS  29          2HB       CYS  29   6.555   2.694   4.656
  221    H    ILE  30           H        ILE  30   6.765  -1.473   3.170
  222    HA   ILE  30           HA       ILE  30   8.287  -1.727   5.664
  223    HB   ILE  30           HB       ILE  30   6.272  -2.869   6.109
  224   1HG1  ILE  30          1HG1      ILE  30   7.022  -5.229   6.370
  225   2HG1  ILE  30          2HG1      ILE  30   8.411  -4.867   5.350
  226   1HG2  ILE  30          1HG2      ILE  30   5.441  -3.100   3.824
  227   2HG2  ILE  30          2HG2      ILE  30   6.601  -4.396   3.529
  228   3HG2  ILE  30          3HG2      ILE  30   5.319  -4.616   4.718
  229   1HD1  ILE  30          1HD1      ILE  30   9.027  -4.827   7.683
  230   2HD1  ILE  30          2HD1      ILE  30   9.163  -3.212   6.990
  231   3HD1  ILE  30          3HD1      ILE  30   7.786  -3.618   8.015
  232    H    ASN  31           H        ASN  31   7.765  -3.610   2.644
  233    HA   ASN  31           HA       ASN  31  10.548  -4.486   2.859
  234   1HB   ASN  31          1HB       ASN  31   8.226  -5.506   1.217
  235   2HB   ASN  31          2HB       ASN  31   9.870  -6.110   1.032
  236   1HD2  ASN  31          1HD2      ASN  31   7.518  -7.564   1.839
  237   2HD2  ASN  31          2HD2      ASN  31   7.848  -8.194   3.415
  238    H    GLY  32           H        GLY  32   9.987  -1.813   2.046
  239   1HA   GLY  32          1HA       GLY  32  11.160  -0.447   0.544
  240   2HA   GLY  32          2HA       GLY  32  11.393  -1.838  -0.508
  241    H    ARG  33           H        ARG  33   8.349  -2.243   0.079
  242    HA   ARG  33           HA       ARG  33   7.344  -0.214  -1.776
  243   1HB   ARG  33          1HB       ARG  33   6.177  -1.802  -3.085
  244   2HB   ARG  33          2HB       ARG  33   7.837  -2.368  -2.959
  245   1HG   ARG  33          1HG       ARG  33   7.284  -4.142  -1.632
  246   2HG   ARG  33          2HG       ARG  33   5.837  -3.355  -0.992
  247   1HD   ARG  33          1HD       ARG  33   5.118  -5.080  -2.443
  248   2HD   ARG  33          2HD       ARG  33   4.828  -3.549  -3.266
  249    HE   ARG  33           HE       ARG  33   6.904  -4.016  -4.546
  250   1HH1  ARG  33          2HH1      ARG  33   5.298  -6.692  -2.950
  251   2HH1  ARG  33          1HH1      ARG  33   5.755  -7.859  -4.156
  252   1HH2  ARG  33          2HH2      ARG  33   7.554  -5.558  -6.115
  253   2HH2  ARG  33          1HH2      ARG  33   7.084  -7.222  -5.927
  254    H    CYS  34           H        CYS  34   4.907  -0.261  -1.856
  255    HA   CYS  34           HA       CYS  34   3.888  -0.101   0.817
  256   1HB   CYS  34          1HB       CYS  34   2.293   0.067  -1.737
  257   2HB   CYS  34          2HB       CYS  34   1.888   0.754  -0.174
  258    H    THR  35           H        THR  35   3.035  -1.714   1.944
  259    HA   THR  35           HA       THR  35   1.788  -3.935   0.463
  260    HB   THR  35           HB       THR  35   2.987  -4.078   3.233
  261    HG1  THR  35           1HG      THR  35   4.268  -3.881   0.969
  262   1HG2  THR  35          1HG2      THR  35   1.262  -5.751   2.822
  263   2HG2  THR  35          2HG2      THR  35   2.850  -6.519   2.847
  264   3HG2  THR  35          3HG2      THR  35   2.042  -6.214   1.308
  265    H    CYS  36           H        CYS  36  -0.330  -4.031   0.666
  266    HA   CYS  36           HA       CYS  36  -1.621  -2.599   2.869
  267   1HB   CYS  36          1HB       CYS  36  -2.833  -3.744   0.353
  268   2HB   CYS  36          2HB       CYS  36  -3.646  -2.717   1.529
  269    H    TYR  37           H        TYR  37  -2.457  -3.634   4.502
  270    HA   TYR  37           HA       TYR  37  -2.902  -6.530   4.296
  271   1HB   TYR  37          1HB       TYR  37  -2.709  -4.834   6.798
  272   2HB   TYR  37          2HB       TYR  37  -2.706  -6.592   6.706
  273    HD1  TYR  37           1HD      TYR  37  -0.709  -3.550   6.260
  274    HD2  TYR  37           2HD      TYR  37  -0.706  -7.798   6.007
  275    HE1  TYR  37           1HE      TYR  37   1.747  -3.539   6.205
  276    HE2  TYR  37           2HE      TYR  37   1.753  -7.797   5.942
  277    HH   TYR  37           HH       TYR  37   3.595  -6.261   5.354
  278    HA   PRO  38           HA       PRO  38  -7.144  -4.835   4.169
  279   1HB   PRO  38          1HB       PRO  38  -7.729  -7.403   2.866
  280   2HB   PRO  38          2HB       PRO  38  -7.955  -5.760   2.255
  281   1HG   PRO  38          1HG       PRO  38  -6.056  -7.339   1.238
  282   2HG   PRO  38          2HG       PRO  38  -5.766  -5.600   1.487
  283   1HD   PRO  38          1HD       PRO  38  -4.971  -7.902   3.255
  284   2HD   PRO  38          2HD       PRO  38  -3.968  -6.562   2.647
  Start of MODEL    9
    1    HN   PCA   1           H        PCA   1  -1.485 -11.435  -0.002
    2    HA   PCA   1           HA       PCA   1  -2.866  -9.511   0.763
    3   1HB   PCA   1          1HB       PCA   1  -1.694  -8.810   2.607
    4   2HB   PCA   1          2HB       PCA   1  -0.870  -7.703   1.496
    5   1HG   PCA   1          1HG       PCA   1   0.271  -9.810   2.957
    6   2HG   PCA   1          2HG       PCA   1   1.036  -8.874   1.650
    7    H    ILE   2           H        ILE   2  -2.723  -7.056   0.043
    8    HA   ILE   2           HA       ILE   2  -2.138  -7.092  -2.787
    9    HB   ILE   2           HB       ILE   2  -3.350  -4.955  -1.027
   10   1HG1  ILE   2          1HG1      ILE   2  -4.556  -6.700  -3.183
   11   2HG1  ILE   2          2HG1      ILE   2  -4.752  -6.945  -1.451
   12   1HG2  ILE   2          1HG2      ILE   2  -2.860  -4.909  -4.004
   13   2HG2  ILE   2          2HG2      ILE   2  -3.900  -3.773  -3.143
   14   3HG2  ILE   2          3HG2      ILE   2  -2.170  -3.824  -2.792
   15   1HD1  ILE   2          1HD1      ILE   2  -6.709  -5.892  -2.390
   16   2HD1  ILE   2          2HD1      ILE   2  -5.891  -4.782  -1.293
   17   3HD1  ILE   2          3HD1      ILE   2  -5.724  -4.579  -3.036
   18    H    ASP   3           H        ASP   3   0.099  -7.062  -3.025
   19    HA   ASP   3           HA       ASP   3   1.334  -4.552  -2.125
   20   1HB   ASP   3          1HB       ASP   3   3.469  -5.524  -2.241
   21   2HB   ASP   3          2HB       ASP   3   2.475  -6.797  -1.547
   22    H    THR   4           H        THR   4   1.834  -3.071  -3.601
   23    HA   THR   4           HA       THR   4   0.803  -3.545  -6.259
   24    HB   THR   4           HB       THR   4   1.356  -1.058  -6.520
   25    HG1  THR   4           1HG      THR   4   1.974   0.032  -4.732
   26   1HG2  THR   4          1HG2      THR   4  -0.572  -1.896  -4.344
   27   2HG2  THR   4          2HG2      THR   4  -0.910  -1.894  -6.074
   28   3HG2  THR   4          3HG2      THR   4  -0.613  -0.372  -5.234
   29    H    ASN   5           H        ASN   5   3.673  -4.183  -4.917
   30    HA   ASN   5           HA       ASN   5   5.856  -4.256  -5.540
   31   1HB   ASN   5          1HB       ASN   5   4.810  -5.666  -7.325
   32   2HB   ASN   5          2HB       ASN   5   4.710  -4.234  -8.346
   33   1HD2  ASN   5          1HD2      ASN   5   6.033  -5.009  -9.930
   34   2HD2  ASN   5          2HD2      ASN   5   7.732  -5.267  -9.709
   35    H    VAL   6           H        VAL   6   5.029  -1.851  -4.850
   36    HA   VAL   6           HA       VAL   6   6.347   0.011  -6.703
   37    HB   VAL   6           HB       VAL   6   3.758   0.407  -5.208
   38   1HG1  VAL   6          1HG1      VAL   6   5.422   2.464  -6.673
   39   2HG1  VAL   6          2HG1      VAL   6   3.780   2.725  -6.087
   40   3HG1  VAL   6          3HG1      VAL   6   5.088   2.424  -4.942
   41   1HG2  VAL   6          1HG2      VAL   6   3.524  -0.698  -7.357
   42   2HG2  VAL   6          2HG2      VAL   6   2.859   0.933  -7.434
   43   3HG2  VAL   6          3HG2      VAL   6   4.437   0.588  -8.143
   44    H    LYS   7           H        LYS   7   8.115   0.661  -5.674
   45    HA   LYS   7           HA       LYS   7   8.654   0.576  -2.979
   46   1HB   LYS   7          1HB       LYS   7  10.496   2.097  -3.380
   47   2HB   LYS   7          2HB       LYS   7  10.377   0.954  -4.703
   48   1HG   LYS   7          1HG       LYS   7   9.431   3.814  -4.772
   49   2HG   LYS   7          2HG       LYS   7  10.937   3.210  -5.459
   50   1HD   LYS   7          1HD       LYS   7   9.381   1.608  -6.789
   51   2HD   LYS   7          2HD       LYS   7   8.120   2.771  -6.376
   52   1HE   LYS   7          1HE       LYS   7   8.847   3.578  -8.402
   53   2HE   LYS   7          2HE       LYS   7   9.834   4.512  -7.279
   54   1HZ   LYS   7          1HZ       LYS   7  11.195   3.665  -9.054
   55   2HZ   LYS   7          2HZ       LYS   7  10.670   2.079  -8.762
   56   3HZ   LYS   7          3HZ       LYS   7  11.627   2.879  -7.613
   57    H    CYS   8           H        CYS   8   8.487   2.014  -1.263
   58    HA   CYS   8           HA       CYS   8   5.974   3.412  -1.435
   59   1HB   CYS   8          1HB       CYS   8   6.123   3.577   0.992
   60   2HB   CYS   8          2HB       CYS   8   6.480   1.936   0.465
   61    H    SER   9           H        SER   9   5.602   5.510  -1.428
   62    HA   SER   9           HA       SER   9   7.878   7.336  -1.472
   63   1HB   SER   9          1HB       SER   9   6.196   7.373  -3.332
   64   2HB   SER   9          2HB       SER   9   4.971   7.867  -2.165
   65    HG   SER   9           HG       SER   9   6.393   9.698  -1.717
   66    H    GLY  10           H        GLY  10   7.338   6.307   1.032
   67   1HA   GLY  10          1HA       GLY  10   7.533   7.616   3.053
   68   2HA   GLY  10          2HA       GLY  10   6.326   8.707   2.401
   69    H    SER  11           H        SER  11   5.778   5.365   2.029
   70    HA   SER  11           HA       SER  11   4.370   3.828   2.871
   71   1HB   SER  11          1HB       SER  11   3.968   3.691   5.264
   72   2HB   SER  11          2HB       SER  11   5.659   4.046   4.937
   73    HG   SER  11           HG       SER  11   4.884   6.352   5.267
   74    H    SER  12           H        SER  12   3.323   7.073   3.937
   75    HA   SER  12           HA       SER  12   0.645   6.361   4.402
   76   1HB   SER  12          1HB       SER  12   1.804   8.380   5.295
   77   2HB   SER  12          2HB       SER  12   1.704   9.099   3.691
   78    HG   SER  12           HG       SER  12  -0.147   9.017   5.630
   79    H    LYS  13           H        LYS  13   2.272   7.583   1.521
   80    HA   LYS  13           HA       LYS  13   0.159   8.249  -0.112
   81   1HB   LYS  13          1HB       LYS  13   2.662   8.328  -0.637
   82   2HB   LYS  13          2HB       LYS  13   2.513   6.633  -1.078
   83   1HG   LYS  13          1HG       LYS  13   2.403   7.890  -3.080
   84   2HG   LYS  13          2HG       LYS  13   0.775   7.297  -2.744
   85   1HD   LYS  13          1HD       LYS  13   0.693   9.611  -3.473
   86   2HD   LYS  13          2HD       LYS  13   0.196   9.490  -1.784
   87   1HE   LYS  13          1HE       LYS  13   2.360  10.249  -1.045
   88   2HE   LYS  13          2HE       LYS  13   2.972  10.220  -2.698
   89   1HZ   LYS  13          1HZ       LYS  13   0.733  11.955  -1.806
   90   2HZ   LYS  13          2HZ       LYS  13   1.559  12.016  -3.284
   91   3HZ   LYS  13          3HZ       LYS  13   2.352  12.455  -1.854
   92    H    CYS  14           H        CYS  14   1.512   5.049   0.489
   93    HA   CYS  14           HA       CYS  14  -0.129   3.657  -1.348
   94   1HB   CYS  14          1HB       CYS  14   0.930   2.283   1.075
   95   2HB   CYS  14          2HB       CYS  14   0.937   1.762  -0.604
   96    H    VAL  15           H        VAL  15  -0.317   4.253   2.135
   97    HA   VAL  15           HA       VAL  15  -2.521   2.669   2.769
   98    HB   VAL  15           HB       VAL  15  -1.989   5.386   3.973
   99   1HG1  VAL  15          1HG1      VAL  15  -4.050   4.333   4.696
  100   2HG1  VAL  15          2HG1      VAL  15  -3.172   2.866   5.129
  101   3HG1  VAL  15          3HG1      VAL  15  -2.879   4.362   6.016
  102   1HG2  VAL  15          1HG2      VAL  15  -0.457   4.301   5.532
  103   2HG2  VAL  15          2HG2      VAL  15  -0.636   2.783   4.653
  104   3HG2  VAL  15          3HG2      VAL  15   0.115   4.170   3.867
  105    H    LYS  16           H        LYS  16  -2.301   5.902   1.466
  106    HA   LYS  16           HA       LYS  16  -5.087   6.481   1.662
  107   1HB   LYS  16          1HB       LYS  16  -3.536   8.297   1.713
  108   2HB   LYS  16          2HB       LYS  16  -2.791   7.785   0.207
  109   1HG   LYS  16          1HG       LYS  16  -4.187   9.743  -0.114
  110   2HG   LYS  16          2HG       LYS  16  -4.814   8.358  -1.007
  111   1HD   LYS  16          1HD       LYS  16  -6.471   7.968   0.727
  112   2HD   LYS  16          2HD       LYS  16  -5.822   9.312   1.670
  113   1HE   LYS  16          1HE       LYS  16  -7.026   9.510  -1.086
  114   2HE   LYS  16          2HE       LYS  16  -7.838   9.947   0.421
  115   1HZ   LYS  16          1HZ       LYS  16  -5.679  11.331  -1.000
  116   2HZ   LYS  16          2HZ       LYS  16  -5.713  11.438   0.691
  117   3HZ   LYS  16          3HZ       LYS  16  -7.044  11.973  -0.217
  118    H    ILE  17           H        ILE  17  -2.938   5.729  -1.081
  119    HA   ILE  17           HA       ILE  17  -5.126   6.001  -2.908
  120    HB   ILE  17           HB       ILE  17  -2.789   6.663  -3.437
  121   1HG1  ILE  17          1HG1      ILE  17  -3.018   6.169  -5.754
  122   2HG1  ILE  17          2HG1      ILE  17  -3.887   4.672  -5.416
  123   1HG2  ILE  17          1HG2      ILE  17  -1.262   4.925  -4.304
  124   2HG2  ILE  17          2HG2      ILE  17  -1.555   4.793  -2.567
  125   3HG2  ILE  17          3HG2      ILE  17  -2.368   3.695  -3.688
  126   1HD1  ILE  17          1HD1      ILE  17  -5.382   6.426  -6.228
  127   2HD1  ILE  17          2HD1      ILE  17  -5.786   5.936  -4.578
  128   3HD1  ILE  17          3HD1      ILE  17  -4.921   7.450  -4.866
  129    H    CYS  18           H        CYS  18  -3.547   3.336  -1.339
  130    HA   CYS  18           HA       CYS  18  -4.440   1.283  -3.050
  131   1HB   CYS  18          1HB       CYS  18  -2.743   1.148  -1.136
  132   2HB   CYS  18          2HB       CYS  18  -4.120   0.971  -0.066
  133    H    ILE  19           H        ILE  19  -6.060   3.172  -0.622
  134    HA   ILE  19           HA       ILE  19  -8.333   1.487  -0.332
  135    HB   ILE  19           HB       ILE  19  -8.170   4.468   0.141
  136   1HG1  ILE  19          1HG1      ILE  19  -7.777   2.192   2.096
  137   2HG1  ILE  19          2HG1      ILE  19  -6.492   3.210   1.452
  138   1HG2  ILE  19          1HG2      ILE  19 -10.456   3.620  -0.036
  139   2HG2  ILE  19          2HG2      ILE  19 -10.108   2.417   1.204
  140   3HG2  ILE  19          3HG2      ILE  19 -10.086   4.133   1.609
  141   1HD1  ILE  19          1HD1      ILE  19  -8.792   4.154   3.147
  142   2HD1  ILE  19          2HD1      ILE  19  -7.138   3.881   3.698
  143   3HD1  ILE  19          3HD1      ILE  19  -7.479   5.153   2.523
  144    H    ASP  20           H        ASP  20  -7.585   4.278  -2.370
  145    HA   ASP  20           HA       ASP  20 -10.223   4.540  -3.411
  146   1HB   ASP  20          1HB       ASP  20  -8.598   6.404  -3.383
  147   2HB   ASP  20          2HB       ASP  20  -7.604   5.544  -4.555
  148    H    ARG  21           H        ARG  21  -7.340   2.844  -4.401
  149    HA   ARG  21           HA       ARG  21  -8.359   2.097  -6.965
  150   1HB   ARG  21          1HB       ARG  21  -5.905   1.497  -5.375
  151   2HB   ARG  21          2HB       ARG  21  -6.290   0.500  -6.768
  152   1HG   ARG  21          1HG       ARG  21  -6.158   2.318  -8.242
  153   2HG   ARG  21          2HG       ARG  21  -6.179   3.488  -6.921
  154   1HD   ARG  21          1HD       ARG  21  -3.990   2.725  -6.198
  155   2HD   ARG  21          2HD       ARG  21  -3.966   1.520  -7.492
  156    HE   ARG  21           HE       ARG  21  -4.417   3.918  -8.744
  157   1HH1  ARG  21          2HH1      ARG  21  -1.873   2.589  -6.732
  158   2HH1  ARG  21          1HH1      ARG  21  -0.644   3.619  -7.399
  159   1HH2  ARG  21          2HH2      ARG  21  -2.812   5.227  -9.633
  160   2HH2  ARG  21          1HH2      ARG  21  -1.180   5.122  -9.051
  161    H    TYR  22           H        TYR  22  -7.955   0.401  -3.847
  162    HA   TYR  22           HA       TYR  22  -9.604  -1.737  -5.007
  163   1HB   TYR  22          1HB       TYR  22  -7.486  -2.115  -2.883
  164   2HB   TYR  22          2HB       TYR  22  -8.363  -3.371  -3.753
  165    HD1  TYR  22           1HD      TYR  22  -8.005  -3.486  -6.300
  166    HD2  TYR  22           2HD      TYR  22  -5.422  -1.374  -3.670
  167    HE1  TYR  22           1HE      TYR  22  -6.240  -3.544  -7.998
  168    HE2  TYR  22           2HE      TYR  22  -3.644  -1.425  -5.368
  169    HH   TYR  22           HH       TYR  22  -3.033  -2.859  -7.349
  170    H    ASN  23           H        ASN  23  -8.770  -2.291  -1.851
  171    HA   ASN  23           HA       ASN  23 -10.745  -0.725  -0.510
  172   1HB   ASN  23          1HB       ASN  23 -12.238  -2.391  -1.550
  173   2HB   ASN  23          2HB       ASN  23 -11.282  -3.686  -0.832
  174   1HD2  ASN  23          1HD2      ASN  23 -13.123  -4.460   0.243
  175   2HD2  ASN  23          2HD2      ASN  23 -13.730  -3.676   1.669
  176    H    THR  24           H        THR  24  -9.104  -0.200   0.874
  177    HA   THR  24           HA       THR  24  -8.141  -2.360   2.608
  178    HB   THR  24           HB       THR  24  -5.886  -1.320   2.635
  179    HG1  THR  24           1HG      THR  24  -6.953   0.735   1.653
  180   1HG2  THR  24          1HG2      THR  24  -6.174  -3.209   1.172
  181   2HG2  THR  24          2HG2      THR  24  -5.186  -2.007   0.338
  182   3HG2  THR  24          3HG2      THR  24  -6.894  -2.187  -0.074
  183    H    ARG  25           H        ARG  25  -7.598  -1.682   4.725
  184    HA   ARG  25           HA       ARG  25  -8.385   1.075   5.360
  185   1HB   ARG  25          1HB       ARG  25  -8.931   0.264   7.654
  186   2HB   ARG  25          2HB       ARG  25  -9.980  -0.369   6.403
  187   1HG   ARG  25          1HG       ARG  25  -7.645  -1.933   7.454
  188   2HG   ARG  25          2HG       ARG  25  -9.226  -1.962   8.234
  189   1HD   ARG  25          1HD       ARG  25  -8.495  -2.880   5.461
  190   2HD   ARG  25          2HD       ARG  25  -9.153  -3.837   6.787
  191    HE   ARG  25           HE       ARG  25 -10.913  -1.719   5.991
  192   1HH1  ARG  25          2HH1      ARG  25  -9.906  -5.007   5.268
  193   2HH1  ARG  25          1HH1      ARG  25 -11.376  -5.386   4.405
  194   1HH2  ARG  25          2HH2      ARG  25 -12.821  -2.221   4.869
  195   2HH2  ARG  25          1HH2      ARG  25 -13.029  -3.804   4.177
  196    H    GLY  26           H        GLY  26  -5.793  -0.650   4.806
  197   1HA   GLY  26          1HA       GLY  26  -4.065   1.048   6.243
  198   2HA   GLY  26          2HA       GLY  26  -4.157  -0.517   7.042
  199    H    ALA  27           H        ALA  27  -2.295   1.181   5.098
  200    HA   ALA  27           HA       ALA  27  -1.182  -1.244   3.864
  201   1HB   ALA  27          1HB       ALA  27  -2.167   0.161   2.099
  202   2HB   ALA  27          2HB       ALA  27  -1.182   1.522   2.635
  203   3HB   ALA  27          3HB       ALA  27  -0.408   0.086   1.961
  204    H    LYS  28           H        LYS  28   1.215  -1.090   3.611
  205    HA   LYS  28           HA       LYS  28   2.479   0.929   5.297
  206   1HB   LYS  28          1HB       LYS  28   1.715  -0.968   6.776
  207   2HB   LYS  28          2HB       LYS  28   2.800  -2.023   5.887
  208   1HG   LYS  28          1HG       LYS  28   4.665  -0.466   6.566
  209   2HG   LYS  28          2HG       LYS  28   3.505   0.294   7.658
  210   1HD   LYS  28          1HD       LYS  28   3.098  -1.963   8.659
  211   2HD   LYS  28          2HD       LYS  28   4.432  -2.575   7.679
  212   1HE   LYS  28          1HE       LYS  28   5.379  -2.104   9.774
  213   2HE   LYS  28          2HE       LYS  28   5.841  -0.746   8.745
  214   1HZ   LYS  28          1HZ       LYS  28   4.143   0.597   9.720
  215   2HZ   LYS  28          2HZ       LYS  28   5.042  -0.093  10.983
  216   3HZ   LYS  28          3HZ       LYS  28   3.513  -0.716  10.590
  217    H    CYS  29           H        CYS  29   4.727   1.026   5.097
  218    HA   CYS  29           HA       CYS  29   5.808  -0.283   2.713
  219   1HB   CYS  29          1HB       CYS  29   6.110   2.158   2.898
  220   2HB   CYS  29          2HB       CYS  29   6.948   1.939   4.431
  221    H    ILE  30           H        ILE  30   6.500  -2.291   3.225
  222    HA   ILE  30           HA       ILE  30   7.560  -2.709   5.924
  223    HB   ILE  30           HB       ILE  30   5.659  -4.089   5.426
  224   1HG1  ILE  30          1HG1      ILE  30   6.652  -6.369   5.712
  225   2HG1  ILE  30          2HG1      ILE  30   8.237  -5.659   5.420
  226   1HG2  ILE  30          1HG2      ILE  30   7.192  -5.119   3.048
  227   2HG2  ILE  30          2HG2      ILE  30   5.653  -5.755   3.631
  228   3HG2  ILE  30          3HG2      ILE  30   5.749  -4.104   3.011
  229   1HD1  ILE  30          1HD1      ILE  30   7.796  -5.960   7.797
  230   2HD1  ILE  30          2HD1      ILE  30   7.984  -4.254   7.386
  231   3HD1  ILE  30          3HD1      ILE  30   6.375  -4.923   7.666
  232    H    ASN  31           H        ASN  31   8.281  -3.655   2.564
  233    HA   ASN  31           HA       ASN  31  11.047  -4.181   3.434
  234   1HB   ASN  31          1HB       ASN  31   9.596  -6.123   2.551
  235   2HB   ASN  31          2HB       ASN  31   9.768  -5.367   0.972
  236   1HD2  ASN  31          1HD2      ASN  31  11.669  -5.576  -0.130
  237   2HD2  ASN  31          2HD2      ASN  31  12.993  -6.552   0.422
  238    H    GLY  32           H        GLY  32   9.590  -1.726   2.436
  239   1HA   GLY  32          1HA       GLY  32  10.874   0.090   1.509
  240   2HA   GLY  32          2HA       GLY  32  11.572  -1.047   0.367
  241    H    ARG  33           H        ARG  33   8.510  -1.994   0.372
  242    HA   ARG  33           HA       ARG  33   7.584   0.109  -1.446
  243   1HB   ARG  33          1HB       ARG  33   6.721  -1.507  -3.013
  244   2HB   ARG  33          2HB       ARG  33   8.444  -1.768  -2.788
  245   1HG   ARG  33          1HG       ARG  33   8.051  -3.693  -1.449
  246   2HG   ARG  33          2HG       ARG  33   6.315  -3.369  -1.399
  247   1HD   ARG  33          1HD       ARG  33   6.116  -3.751  -3.763
  248   2HD   ARG  33          2HD       ARG  33   7.870  -3.903  -3.921
  249    HE   ARG  33           HE       ARG  33   6.341  -5.811  -2.273
  250   1HH1  ARG  33          2HH1      ARG  33   8.461  -5.132  -4.975
  251   2HH1  ARG  33          1HH1      ARG  33   8.919  -6.785  -5.213
  252   1HH2  ARG  33          2HH2      ARG  33   6.936  -8.014  -2.588
  253   2HH2  ARG  33          1HH2      ARG  33   8.065  -8.418  -3.849
  254    H    CYS  34           H        CYS  34   5.198  -0.254  -1.989
  255    HA   CYS  34           HA       CYS  34   3.813  -0.146   0.509
  256   1HB   CYS  34          1HB       CYS  34   2.625  -0.076  -2.269
  257   2HB   CYS  34          2HB       CYS  34   1.891   0.525  -0.789
  258    H    THR  35           H        THR  35   2.962  -1.776   1.553
  259    HA   THR  35           HA       THR  35   1.731  -3.957   0.010
  260    HB   THR  35           HB       THR  35   3.099  -4.196   2.700
  261    HG1  THR  35           1HG      THR  35   3.985  -4.412   0.126
  262   1HG2  THR  35          1HG2      THR  35   1.205  -5.719   2.519
  263   2HG2  THR  35          2HG2      THR  35   2.719  -6.621   2.404
  264   3HG2  THR  35          3HG2      THR  35   1.781  -6.281   0.949
  265    H    CYS  36           H        CYS  36  -0.377  -4.068   0.305
  266    HA   CYS  36           HA       CYS  36  -1.583  -2.493   2.454
  267   1HB   CYS  36          1HB       CYS  36  -2.920  -3.777   0.067
  268   2HB   CYS  36          2HB       CYS  36  -3.599  -2.548   1.133
  269    H    TYR  37           H        TYR  37  -2.807  -3.371   4.023
  270    HA   TYR  37           HA       TYR  37  -3.193  -6.287   3.935
  271   1HB   TYR  37          1HB       TYR  37  -2.769  -4.545   6.378
  272   2HB   TYR  37          2HB       TYR  37  -3.027  -6.286   6.386
  273    HD1  TYR  37           1HD      TYR  37  -1.251  -7.810   5.800
  274    HD2  TYR  37           2HD      TYR  37  -0.645  -3.604   5.590
  275    HE1  TYR  37           1HE      TYR  37   1.177  -8.173   5.628
  276    HE2  TYR  37           2HE      TYR  37   1.779  -3.951   5.414
  277    HH   TYR  37           HH       TYR  37   3.165  -7.004   4.813
  278    HA   PRO  38           HA       PRO  38  -7.353  -4.343   3.947
  279   1HB   PRO  38          1HB       PRO  38  -8.070  -6.675   2.334
  280   2HB   PRO  38          2HB       PRO  38  -8.187  -4.960   1.928
  281   1HG   PRO  38          1HG       PRO  38  -6.390  -6.588   0.740
  282   2HG   PRO  38          2HG       PRO  38  -6.042  -4.878   1.073
  283   1HD   PRO  38          1HD       PRO  38  -5.216  -7.311   2.620
  284   2HD   PRO  38          2HD       PRO  38  -4.250  -5.894   2.152
  Start of MODEL   10
    1    HN   PCA   1           H        PCA   1  -2.833 -10.773   0.858
    2    HA   PCA   1           HA       PCA   1  -2.731  -8.281   1.837
    3   1HB   PCA   1          1HB       PCA   1  -0.680  -7.894   2.748
    4   2HB   PCA   1          2HB       PCA   1   0.154  -8.534   1.321
    5   1HG   PCA   1          1HG       PCA   1  -0.454  -9.826   3.842
    6   2HG   PCA   1          2HG       PCA   1   0.608 -10.364   2.520
    7    H    ILE   2           H        ILE   2  -2.369  -6.525   0.449
    8    HA   ILE   2           HA       ILE   2  -2.247  -7.272  -2.385
    9    HB   ILE   2           HB       ILE   2  -3.281  -4.777  -1.027
   10   1HG1  ILE   2          1HG1      ILE   2  -4.760  -6.943  -2.538
   11   2HG1  ILE   2          2HG1      ILE   2  -4.681  -6.821  -0.784
   12   1HG2  ILE   2          1HG2      ILE   2  -4.094  -4.115  -3.255
   13   2HG2  ILE   2          2HG2      ILE   2  -2.332  -4.178  -3.162
   14   3HG2  ILE   2          3HG2      ILE   2  -3.223  -5.481  -3.956
   15   1HD1  ILE   2          1HD1      ILE   2  -5.916  -4.809  -2.650
   16   2HD1  ILE   2          2HD1      ILE   2  -6.776  -5.949  -1.615
   17   3HD1  ILE   2          3HD1      ILE   2  -5.816  -4.656  -0.894
   18    H    ASP   3           H        ASP   3  -0.315  -7.013  -3.317
   19    HA   ASP   3           HA       ASP   3   1.407  -4.824  -2.406
   20   1HB   ASP   3          1HB       ASP   3   1.987  -7.150  -4.254
   21   2HB   ASP   3          2HB       ASP   3   3.137  -5.876  -3.876
   22    H    THR   4           H        THR   4   1.635  -3.024  -3.555
   23    HA   THR   4           HA       THR   4   0.320  -2.725  -6.097
   24    HB   THR   4           HB       THR   4   1.472  -0.436  -6.007
   25    HG1  THR   4           1HG      THR   4   1.969  -0.226  -3.486
   26   1HG2  THR   4          1HG2      THR   4  -0.855  -0.753  -5.337
   27   2HG2  THR   4          2HG2      THR   4  -0.059   0.392  -4.257
   28   3HG2  THR   4          3HG2      THR   4  -0.339  -1.271  -3.729
   29    H    ASN   5           H        ASN   5   3.389  -3.547  -4.894
   30    HA   ASN   5           HA       ASN   5   5.308  -4.297  -5.811
   31   1HB   ASN   5          1HB       ASN   5   3.603  -5.391  -7.475
   32   2HB   ASN   5          2HB       ASN   5   4.155  -4.145  -8.589
   33   1HD2  ASN   5          1HD2      ASN   5   5.040  -7.001  -6.817
   34   2HD2  ASN   5          2HD2      ASN   5   6.517  -7.311  -7.658
   35    H    VAL   6           H        VAL   6   4.920  -1.769  -5.201
   36    HA   VAL   6           HA       VAL   6   6.523  -0.240  -7.086
   37    HB   VAL   6           HB       VAL   6   3.704   0.306  -6.254
   38   1HG1  VAL   6          1HG1      VAL   6   5.703   2.456  -6.903
   39   2HG1  VAL   6          2HG1      VAL   6   3.955   2.678  -6.816
   40   3HG1  VAL   6          3HG1      VAL   6   4.856   2.220  -5.373
   41   1HG2  VAL   6          1HG2      VAL   6   5.243   0.743  -8.808
   42   2HG2  VAL   6          2HG2      VAL   6   4.105  -0.560  -8.474
   43   3HG2  VAL   6          3HG2      VAL   6   3.534   1.105  -8.578
   44    H    LYS   7           H        LYS   7   8.054   0.852  -6.013
   45    HA   LYS   7           HA       LYS   7   8.334   0.761  -3.209
   46   1HB   LYS   7          1HB       LYS   7   9.700   2.629  -5.153
   47   2HB   LYS   7          2HB       LYS   7  10.244   2.237  -3.529
   48   1HG   LYS   7          1HG       LYS   7  10.656  -0.056  -4.187
   49   2HG   LYS   7          2HG       LYS   7  10.026   0.276  -5.804
   50   1HD   LYS   7          1HD       LYS   7  12.479   1.498  -4.535
   51   2HD   LYS   7          2HD       LYS   7  12.448   0.321  -5.849
   52   1HE   LYS   7          1HE       LYS   7  11.301   1.935  -7.276
   53   2HE   LYS   7          2HE       LYS   7  11.295   3.106  -5.961
   54   1HZ   LYS   7          1HZ       LYS   7  13.749   3.016  -5.995
   55   2HZ   LYS   7          2HZ       LYS   7  13.084   3.613  -7.437
   56   3HZ   LYS   7          3HZ       LYS   7  13.673   2.024  -7.370
   57    H    CYS   8           H        CYS   8   8.128   2.356  -1.652
   58    HA   CYS   8           HA       CYS   8   6.347   4.586  -2.408
   59   1HB   CYS   8          1HB       CYS   8   5.541   4.427  -0.028
   60   2HB   CYS   8          2HB       CYS   8   5.161   3.026  -1.026
   61    H    SER   9           H        SER   9   6.654   6.600  -1.391
   62    HA   SER   9           HA       SER   9   9.326   7.209  -0.536
   63   1HB   SER   9          1HB       SER   9   8.230   9.502  -0.112
   64   2HB   SER   9          2HB       SER   9   8.246   8.915  -1.777
   65    HG   SER   9           HG       SER   9   6.131   9.499  -0.188
   66    H    GLY  10           H        GLY  10   6.159   6.918   0.924
   67   1HA   GLY  10          1HA       GLY  10   7.379   6.335   3.493
   68   2HA   GLY  10          2HA       GLY  10   6.291   7.721   3.443
   69    H    SER  11           H        SER  11   5.606   5.714   5.084
   70    HA   SER  11           HA       SER  11   4.230   3.536   4.022
   71   1HB   SER  11          1HB       SER  11   3.027   3.567   6.269
   72   2HB   SER  11          2HB       SER  11   4.787   3.514   6.337
   73    HG   SER  11           HG       SER  11   3.801   5.079   7.775
   74    H    SER  12           H        SER  12   3.281   6.863   4.334
   75    HA   SER  12           HA       SER  12   0.464   6.424   4.302
   76   1HB   SER  12          1HB       SER  12   1.390   8.423   5.326
   77   2HB   SER  12          2HB       SER  12   2.062   8.936   3.780
   78    HG   SER  12           HG       SER  12  -0.420   8.576   3.243
   79    H    LYS  13           H        LYS  13   2.733   6.136   1.863
   80    HA   LYS  13           HA       LYS  13   1.416   7.421  -0.282
   81   1HB   LYS  13          1HB       LYS  13   3.790   6.765  -0.371
   82   2HB   LYS  13          2HB       LYS  13   3.316   5.071  -0.361
   83   1HG   LYS  13          1HG       LYS  13   3.905   5.884  -2.601
   84   2HG   LYS  13          2HG       LYS  13   2.241   5.304  -2.499
   85   1HD   LYS  13          1HD       LYS  13   1.474   7.637  -2.256
   86   2HD   LYS  13          2HD       LYS  13   3.142   8.186  -2.441
   87   1HE   LYS  13          1HE       LYS  13   1.658   6.547  -4.484
   88   2HE   LYS  13          2HE       LYS  13   1.776   8.306  -4.527
   89   1HZ   LYS  13          1HZ       LYS  13   4.156   8.135  -4.729
   90   2HZ   LYS  13          2HZ       LYS  13   3.431   7.198  -5.944
   91   3HZ   LYS  13          3HZ       LYS  13   4.096   6.447  -4.578
   92    H    CYS  14           H        CYS  14   1.501   3.992   0.678
   93    HA   CYS  14           HA       CYS  14  -0.399   3.280  -1.343
   94   1HB   CYS  14          1HB       CYS  14   1.219   1.873   0.656
   95   2HB   CYS  14          2HB       CYS  14  -0.346   1.134   0.327
   96    H    VAL  15           H        VAL  15  -0.554   3.825   2.137
   97    HA   VAL  15           HA       VAL  15  -2.962   2.518   2.627
   98    HB   VAL  15           HB       VAL  15  -1.515   3.113   4.438
   99   1HG1  VAL  15          1HG1      VAL  15  -1.168   5.403   5.151
  100   2HG1  VAL  15          2HG1      VAL  15  -0.626   5.161   3.486
  101   3HG1  VAL  15          3HG1      VAL  15  -2.154   5.980   3.805
  102   1HG2  VAL  15          1HG2      VAL  15  -3.856   2.890   5.017
  103   2HG2  VAL  15          2HG2      VAL  15  -3.100   4.142   6.007
  104   3HG2  VAL  15          3HG2      VAL  15  -4.132   4.594   4.650
  105    H    LYS  16           H        LYS  16  -2.427   5.687   1.243
  106    HA   LYS  16           HA       LYS  16  -5.218   6.411   1.570
  107   1HB   LYS  16          1HB       LYS  16  -4.613   8.468   0.320
  108   2HB   LYS  16          2HB       LYS  16  -3.630   8.217   1.755
  109   1HG   LYS  16          1HG       LYS  16  -1.758   7.583   0.483
  110   2HG   LYS  16          2HG       LYS  16  -2.719   7.393  -0.982
  111   1HD   LYS  16          1HD       LYS  16  -2.469  10.047   0.399
  112   2HD   LYS  16          2HD       LYS  16  -1.255   9.495  -0.752
  113   1HE   LYS  16          1HE       LYS  16  -2.706  10.779  -2.045
  114   2HE   LYS  16          2HE       LYS  16  -3.225   9.124  -2.354
  115   1HZ   LYS  16          1HZ       LYS  16  -4.955   9.503  -0.591
  116   2HZ   LYS  16          2HZ       LYS  16  -5.158  10.399  -2.014
  117   3HZ   LYS  16          3HZ       LYS  16  -4.533  11.148  -0.624
  118    H    ILE  17           H        ILE  17  -3.061   5.327  -1.013
  119    HA   ILE  17           HA       ILE  17  -5.087   5.821  -3.023
  120    HB   ILE  17           HB       ILE  17  -2.680   6.250  -3.453
  121   1HG1  ILE  17          1HG1      ILE  17  -2.724   5.502  -5.728
  122   2HG1  ILE  17          2HG1      ILE  17  -3.796   4.166  -5.324
  123   1HG2  ILE  17          1HG2      ILE  17  -2.466   3.251  -3.450
  124   2HG2  ILE  17          2HG2      ILE  17  -1.213   4.359  -4.006
  125   3HG2  ILE  17          3HG2      ILE  17  -1.703   4.358  -2.312
  126   1HD1  ILE  17          1HD1      ILE  17  -5.587   5.723  -4.839
  127   2HD1  ILE  17          2HD1      ILE  17  -4.518   7.083  -5.202
  128   3HD1  ILE  17          3HD1      ILE  17  -4.972   5.953  -6.479
  129    H    CYS  18           H        CYS  18  -3.829   3.156  -1.225
  130    HA   CYS  18           HA       CYS  18  -4.743   1.015  -2.793
  131   1HB   CYS  18          1HB       CYS  18  -3.231   0.976  -0.724
  132   2HB   CYS  18          2HB       CYS  18  -4.706   1.017   0.227
  133    H    ILE  19           H        ILE  19  -6.403   3.308  -0.859
  134    HA   ILE  19           HA       ILE  19  -8.843   1.820  -0.594
  135    HB   ILE  19           HB       ILE  19  -8.461   4.802  -0.280
  136   1HG1  ILE  19          1HG1      ILE  19  -8.275   2.640   1.832
  137   2HG1  ILE  19          2HG1      ILE  19  -6.905   3.520   1.162
  138   1HG2  ILE  19          1HG2      ILE  19 -10.549   2.933   0.844
  139   2HG2  ILE  19          2HG2      ILE  19 -10.446   4.669   1.135
  140   3HG2  ILE  19          3HG2      ILE  19 -10.792   4.065  -0.487
  141   1HD1  ILE  19          1HD1      ILE  19  -7.797   5.601   2.060
  142   2HD1  ILE  19          2HD1      ILE  19  -9.177   4.724   2.724
  143   3HD1  ILE  19          3HD1      ILE  19  -7.554   4.400   3.330
  144    H    ASP  20           H        ASP  20  -7.449   3.975  -2.956
  145    HA   ASP  20           HA       ASP  20 -10.035   4.609  -4.137
  146   1HB   ASP  20          1HB       ASP  20  -8.303   6.348  -4.030
  147   2HB   ASP  20          2HB       ASP  20  -7.220   5.341  -4.984
  148    H    ARG  21           H        ARG  21  -7.339   2.509  -4.597
  149    HA   ARG  21           HA       ARG  21  -8.183   1.712  -7.250
  150   1HB   ARG  21          1HB       ARG  21  -5.923   0.626  -5.579
  151   2HB   ARG  21          2HB       ARG  21  -6.130   0.507  -7.317
  152   1HG   ARG  21          1HG       ARG  21  -5.898   2.946  -7.495
  153   2HG   ARG  21          2HG       ARG  21  -5.596   3.011  -5.752
  154   1HD   ARG  21          1HD       ARG  21  -3.499   3.065  -6.835
  155   2HD   ARG  21          2HD       ARG  21  -3.673   1.460  -6.130
  156    HE   ARG  21           HE       ARG  21  -4.638   1.248  -8.707
  157   1HH1  ARG  21          2HH1      ARG  21  -1.555   2.121  -7.245
  158   2HH1  ARG  21          1HH1      ARG  21  -0.630   1.494  -8.574
  159   1HH2  ARG  21          2HH2      ARG  21  -3.401   0.438 -10.433
  160   2HH2  ARG  21          1HH2      ARG  21  -1.663   0.544 -10.369
  161    H    TYR  22           H        TYR  22  -7.891   0.340  -3.990
  162    HA   TYR  22           HA       TYR  22  -9.239  -2.070  -4.977
  163   1HB   TYR  22          1HB       TYR  22  -7.498  -1.774  -2.517
  164   2HB   TYR  22          2HB       TYR  22  -8.194  -3.272  -3.128
  165    HD1  TYR  22           1HD      TYR  22  -7.396  -4.195  -5.303
  166    HD2  TYR  22           2HD      TYR  22  -5.487  -0.897  -3.418
  167    HE1  TYR  22           1HE      TYR  22  -5.427  -4.528  -6.729
  168    HE2  TYR  22           2HE      TYR  22  -3.510  -1.219  -4.842
  169    HH   TYR  22           HH       TYR  22  -2.459  -3.109  -6.130
  170    H    ASN  23           H        ASN  23  -9.058  -1.832  -1.608
  171    HA   ASN  23           HA       ASN  23 -11.495  -0.371  -1.210
  172   1HB   ASN  23          1HB       ASN  23 -12.941  -2.169  -0.554
  173   2HB   ASN  23          2HB       ASN  23 -12.318  -2.543  -2.157
  174   1HD2  ASN  23          1HD2      ASN  23 -12.390  -3.440   1.169
  175   2HD2  ASN  23          2HD2      ASN  23 -11.560  -4.948   1.003
  176    H    THR  24           H        THR  24  -8.615  -1.129  -0.063
  177    HA   THR  24           HA       THR  24  -9.539  -1.502   2.699
  178    HB   THR  24           HB       THR  24  -8.387  -3.498   2.038
  179    HG1  THR  24           1HG      THR  24  -7.005  -3.564   3.729
  180   1HG2  THR  24          1HG2      THR  24  -6.084  -1.714   1.241
  181   2HG2  THR  24          2HG2      THR  24  -7.112  -2.642   0.149
  182   3HG2  THR  24          3HG2      THR  24  -6.046  -3.476   1.280
  183    H    ARG  25           H        ARG  25  -8.678  -0.335   4.298
  184    HA   ARG  25           HA       ARG  25  -7.174   2.047   3.513
  185   1HB   ARG  25          1HB       ARG  25  -7.832   2.768   5.903
  186   2HB   ARG  25          2HB       ARG  25  -9.081   2.723   4.671
  187   1HG   ARG  25          1HG       ARG  25  -9.860   1.830   6.806
  188   2HG   ARG  25          2HG       ARG  25  -9.905   0.613   5.536
  189   1HD   ARG  25          1HD       ARG  25  -7.922  -0.440   6.384
  190   2HD   ARG  25          2HD       ARG  25  -7.673   0.868   7.546
  191    HE   ARG  25           HE       ARG  25 -10.171  -0.164   8.105
  192   1HH1  ARG  25          2HH1      ARG  25  -6.897  -1.411   8.012
  193   2HH1  ARG  25          1HH1      ARG  25  -7.186  -2.603   9.241
  194   1HH2  ARG  25          2HH2      ARG  25 -10.528  -1.673   9.767
  195   2HH2  ARG  25          1HH2      ARG  25  -9.238  -2.740  10.261
  196    H    GLY  26           H        GLY  26  -6.279  -0.877   4.344
  197   1HA   GLY  26          1HA       GLY  26  -4.352  -0.011   6.409
  198   2HA   GLY  26          2HA       GLY  26  -4.925  -1.661   6.212
  199    H    ALA  27           H        ALA  27  -2.574   0.638   5.319
  200    HA   ALA  27           HA       ALA  27  -1.185  -1.450   3.824
  201   1HB   ALA  27          1HB       ALA  27  -1.512   1.356   2.763
  202   2HB   ALA  27          2HB       ALA  27  -0.543   0.076   2.033
  203   3HB   ALA  27          3HB       ALA  27  -2.297  -0.086   2.118
  204    H    LYS  28           H        LYS  28   0.984  -1.448   4.091
  205    HA   LYS  28           HA       LYS  28   2.214   0.782   5.542
  206   1HB   LYS  28          1HB       LYS  28   1.589  -0.856   7.240
  207   2HB   LYS  28          2HB       LYS  28   2.384  -2.134   6.334
  208   1HG   LYS  28          1HG       LYS  28   4.538  -0.899   6.644
  209   2HG   LYS  28          2HG       LYS  28   3.679   0.196   7.727
  210   1HD   LYS  28          1HD       LYS  28   3.130  -1.633   9.207
  211   2HD   LYS  28          2HD       LYS  28   3.860  -2.793   8.096
  212   1HE   LYS  28          1HE       LYS  28   6.040  -1.661   8.409
  213   2HE   LYS  28          2HE       LYS  28   5.284  -0.593   9.592
  214   1HZ   LYS  28          1HZ       LYS  28   6.464  -2.467  10.615
  215   2HZ   LYS  28          2HZ       LYS  28   5.426  -3.552   9.826
  216   3HZ   LYS  28          3HZ       LYS  28   4.812  -2.480  10.982
  217    H    CYS  29           H        CYS  29   4.316   1.158   4.981
  218    HA   CYS  29           HA       CYS  29   5.435  -0.286   2.753
  219   1HB   CYS  29          1HB       CYS  29   6.406   2.021   4.439
  220   2HB   CYS  29          2HB       CYS  29   7.368   1.319   3.150
  221    H    ILE  30           H        ILE  30   7.084  -1.789   2.834
  222    HA   ILE  30           HA       ILE  30   7.809  -2.619   5.568
  223    HB   ILE  30           HB       ILE  30   6.145  -4.150   4.842
  224   1HG1  ILE  30          1HG1      ILE  30   7.412  -6.303   4.741
  225   2HG1  ILE  30          2HG1      ILE  30   8.894  -5.373   4.545
  226   1HG2  ILE  30          1HG2      ILE  30   6.303  -5.461   2.778
  227   2HG2  ILE  30          2HG2      ILE  30   6.178  -3.731   2.461
  228   3HG2  ILE  30          3HG2      ILE  30   7.736  -4.543   2.315
  229   1HD1  ILE  30          1HD1      ILE  30   8.544  -4.346   6.724
  230   2HD1  ILE  30          2HD1      ILE  30   7.046  -5.256   6.918
  231   3HD1  ILE  30          3HD1      ILE  30   8.589  -6.105   6.844
  232    H    ASN  31           H        ASN  31   8.740  -3.162   2.163
  233    HA   ASN  31           HA       ASN  31  11.543  -2.985   3.032
  234   1HB   ASN  31          1HB       ASN  31  10.788  -5.368   2.588
  235   2HB   ASN  31          2HB       ASN  31  10.537  -4.899   0.909
  236   1HD2  ASN  31          1HD2      ASN  31  12.867  -5.522   3.403
  237   2HD2  ASN  31          2HD2      ASN  31  14.254  -5.605   2.366
  238    H    GLY  32           H        GLY  32  10.738  -0.748   2.335
  239   1HA   GLY  32          1HA       GLY  32  11.137   0.982   0.871
  240   2HA   GLY  32          2HA       GLY  32  11.778  -0.178  -0.284
  241    H    ARG  33           H        ARG  33   9.268  -1.766  -0.075
  242    HA   ARG  33           HA       ARG  33   7.569  -0.058  -1.748
  243   1HB   ARG  33          1HB       ARG  33   8.261  -1.866  -3.067
  244   2HB   ARG  33          2HB       ARG  33   8.139  -3.010  -1.733
  245   1HG   ARG  33          1HG       ARG  33   5.723  -2.922  -1.848
  246   2HG   ARG  33          2HG       ARG  33   5.810  -1.706  -3.127
  247   1HD   ARG  33          1HD       ARG  33   5.429  -3.753  -4.228
  248   2HD   ARG  33          2HD       ARG  33   7.141  -3.401  -4.458
  249    HE   ARG  33           HE       ARG  33   6.480  -5.119  -2.205
  250   1HH1  ARG  33          2HH1      ARG  33   7.614  -4.867  -5.513
  251   2HH1  ARG  33          1HH1      ARG  33   8.184  -6.506  -5.590
  252   1HH2  ARG  33          2HH2      ARG  33   7.260  -7.277  -2.288
  253   2HH2  ARG  33          1HH2      ARG  33   8.007  -7.872  -3.738
  254    H    CYS  34           H        CYS  34   5.303  -0.113  -1.423
  255    HA   CYS  34           HA       CYS  34   4.597  -0.711   1.347
  256   1HB   CYS  34          1HB       CYS  34   2.563   0.693   0.816
  257   2HB   CYS  34          2HB       CYS  34   4.105   1.533   0.739
  258    H    THR  35           H        THR  35   2.946  -2.018   1.940
  259    HA   THR  35           HA       THR  35   1.543  -3.514  -0.167
  260    HB   THR  35           HB       THR  35   2.758  -4.694   2.346
  261    HG1  THR  35           1HG      THR  35   3.500  -5.524  -0.231
  262   1HG2  THR  35          1HG2      THR  35   0.687  -5.828   1.710
  263   2HG2  THR  35          2HG2      THR  35   2.085  -6.860   1.403
  264   3HG2  THR  35          3HG2      THR  35   1.291  -6.028   0.064
  265    H    CYS  36           H        CYS  36  -0.582  -4.107   0.340
  266    HA   CYS  36           HA       CYS  36  -1.731  -2.646   2.604
  267   1HB   CYS  36          1HB       CYS  36  -3.156  -3.989   0.299
  268   2HB   CYS  36          2HB       CYS  36  -3.857  -2.870   1.464
  269    H    TYR  37           H        TYR  37  -2.354  -3.654   4.361
  270    HA   TYR  37           HA       TYR  37  -2.766  -6.572   4.283
  271   1HB   TYR  37          1HB       TYR  37  -1.842  -4.927   6.649
  272   2HB   TYR  37          2HB       TYR  37  -1.965  -6.679   6.569
  273    HD1  TYR  37           1HD      TYR  37   0.019  -3.752   5.621
  274    HD2  TYR  37           2HD      TYR  37  -0.291  -7.989   5.371
  275    HE1  TYR  37           1HE      TYR  37   2.370  -3.876   4.916
  276    HE2  TYR  37           2HE      TYR  37   2.061  -8.123   4.662
  277    HH   TYR  37           HH       TYR  37   4.217  -5.542   4.938
  278    HA   PRO  38           HA       PRO  38  -6.817  -4.773   5.581
  279   1HB   PRO  38          1HB       PRO  38  -7.840  -7.089   4.074
  280   2HB   PRO  38          2HB       PRO  38  -8.245  -5.376   3.907
  281   1HG   PRO  38          1HG       PRO  38  -6.803  -6.616   2.035
  282   2HG   PRO  38          2HG       PRO  38  -6.432  -4.943   2.521
  283   1HD   PRO  38          1HD       PRO  38  -5.109  -7.500   3.417
  284   2HD   PRO  38          2HD       PRO  38  -4.355  -6.002   2.821