*HEADER    MEMBRANE PROTEIN                        17-DEC-14   2MXA              
*TITLE     SOLUTION STRUCTURE OF THE NDH-1 COMPLEX SUBUNIT CUPS FROM             
*TITLE    2 THERMOSYNECHOCOCCUS ELONGATUS                                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: NDH-1 COMPLEX SENSORY SUBUNIT CUPS;                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: THERMOSYNECHOCOCCUS ELONGATUS;                  
*SOURCE   3 ORGANISM_TAXID: 146786;                                              
*SOURCE   4 GENE: CUPS;                                                          
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR: PRSET6A                                    
*KEYWDS    MEMBRANE PROTEIN, BIOENERGETICS-ELECTRON TRANSFER COMPLEX,            
*KEYWDS   2 CYANOBACTERIA, NDH-1 COMPLEX                                         
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    A.KORSTE, H.WULFHORST, T.IKEGAMI, M.M.NOWACZYK, R.STOLL               
*REVDAT   1   10-JUN-15 2MXA    0                                                


 ASSI {   10}
   (( segid "   A" and resid 2    and name  HA  ))
   (  segid "   A" and resid 2    and name  HB# )
      2.070     0.535     0.535 peak    10 weight  1.00000E+00 volume  7.05844E+06 ppm1      4.305 ppm2      1.533

 ASSI {  621}
   (  segid "   A" and resid 2    and name  HB# )
   (( segid "   A" and resid 3    and name  HN  ))
      2.534     0.803     0.803 peak   621 weight  1.00000E+00 volume  2.18452E+07 ppm1      9.671 ppm2      1.501

 ASSI { 1203}
   (( segid "   A" and resid 2    and name  HA  ))
   (( segid "   A" and resid 6    and name  HB2 ))
      5.126     3.284     3.284 peak  1203 weight  1.00000E+00 volume  -3.08765E+04 ppm1      4.301 ppm2      2.879

 ASSI { 3402}
   (  segid "   A" and resid 2    and name  HB# )
   (( segid "   A" and resid 6    and name  HB2 ))
      2.142     0.574     0.574 peak  3402 weight  1.00000E+00 volume  5.79400E+06 ppm1      1.533 ppm2      2.691

 ASSI { 3665}
   (( segid "   A" and resid 2    and name  HA  ))
   (( segid "   A" and resid 6    and name  HB1 ))
      5.125     3.284     3.284 peak  3665 weight  1.00000E+00 volume  -3.08800E+04 ppm1      4.301 ppm2      2.879

 ASSI {   25}
   (  segid "   A" and resid 2    and name  HB# )
   (  segid "   A" and resid 7    and name  HD1#)
      2.032     0.516     0.516 peak    25 weight  1.00000E+00 volume  7.95007E+06 ppm1      1.534 ppm2      0.680

 ASSI { 3398}
   (  segid "   A" and resid 2    and name  HB# )
   (( segid "   A" and resid 7    and name  HN  ))
      2.510     0.788     0.788 peak  3398 weight  1.00000E+00 volume  2.23800E+06 ppm1      1.533 ppm2      8.064

 ASSI {   19}
   (  segid "   A" and resid 2    and name  HB# )
   (( segid "   A" and resid 7    and name  HA  ))
      2.631     0.865     0.865 peak    19 weight  1.00000E+00 volume  1.68798E+06 ppm1      1.534 ppm2      3.585

 ASSI {   24}
   (  segid "   A" and resid 2    and name  HB# )
   (( segid "   A" and resid 7    and name  HG12))
      2.281     0.650     0.650 peak    24 weight  1.00000E+00 volume  3.97428E+06 ppm1      1.534 ppm2      1.034

 ASSI {   27}
   (( segid "   A" and resid 3    and name  HA  ))
   (  segid "   A" and resid 3    and name  HG2#)
      2.173     0.590     0.590 peak    27 weight  1.00000E+00 volume  5.31599E+06 ppm1      4.416 ppm2      1.300

 ASSI { 1159}
   (( segid "   A" and resid 3    and name  HN  ))
   (  segid "   A" and resid 3    and name  HG2#)
      3.291     1.354     1.354 peak  1159 weight  1.00000E+00 volume  2.09828E+07 ppm1      9.672 ppm2      1.279

 ASSI { 4182}
   (  segid "   A" and resid 3    and name  HG2#)
   (  segid "   A" and resid 4    and name  HD1#)
      1.965     0.483     0.483 peak  4182 weight  1.00000E+00 volume  9.72192E+06 ppm1      0.847 ppm2      1.292

 ASSI {  447}
   (( segid "   A" and resid 3    and name  HA  ))
   (( segid "   A" and resid 4    and name  HN  ))
      2.579     0.831     0.831 peak   447 weight  1.00000E+00 volume  9.06124E+07 ppm1      9.160 ppm2      4.394

 ASSI { 1188}
   (  segid "   A" and resid 3    and name  HG2#)
   (( segid "   A" and resid 4    and name  HN  ))
      2.411     0.726     0.726 peak  1188 weight  1.00000E+00 volume  1.35703E+08 ppm1      9.160 ppm2      1.285

 ASSI {   85}
   (  segid "   A" and resid 3    and name  HG2#)
   (  segid "   A" and resid 5    and name  HG1#)
      2.057     0.529     0.529 peak    85 weight  1.00000E+00 volume  7.39630E+06 ppm1      0.789 ppm2      1.291

 ASSI {  894}
   (( segid "   A" and resid 3    and name  HN  ))
   (( segid "   A" and resid 6    and name  HN  ))
      3.210     1.288     1.288 peak   894 weight  1.00000E+00 volume  2.43568E+07 ppm1      7.137 ppm2      9.652

 ASSI { 1195}
   (  segid "   A" and resid 3    and name  HG2#)
   (( segid "   A" and resid 6    and name  HN  ))
      2.695     0.908     0.908 peak  1195 weight  1.00000E+00 volume  6.95770E+07 ppm1      7.140 ppm2      1.292

 ASSI { 1406}
   (  segid "   A" and resid 3    and name  HG2#)
   (( segid "   A" and resid 31   and name  HE22))
      3.199     1.279     1.279 peak  1406 weight  1.00000E+00 volume  2.48489E+07 ppm1      6.756 ppm2      1.291

 ASSI { 1939}
   (  segid "   A" and resid 4    and name  HD1#)
   (( segid "   A" and resid 4    and name  HN  ))
      2.503     0.783     0.783 peak  1939 weight  1.00000E+00 volume  2.27717E+06 ppm1      0.844 ppm2      9.152

 ASSI { 4184}
   (  segid "   A" and resid 4    and name  HD1#)
   (( segid "   A" and resid 4    and name  HB  ))
      1.978     0.489     0.489 peak  4184 weight  1.00000E+00 volume  9.35162E+06 ppm1      0.845 ppm2      1.849

 ASSI { 4196}
   (( segid "   A" and resid 4    and name  HB  ))
   (  segid "   A" and resid 4    and name  HG2#)
      2.308     0.666     0.666 peak  4196 weight  1.00000E+00 volume  3.70094E+06 ppm1      1.850 ppm2      0.714

 ASSI {  432}
   (( segid "   A" and resid 4    and name  HN  ))
   (( segid "   A" and resid 5    and name  HN  ))
      3.204     1.283     1.283 peak   432 weight  1.00000E+00 volume  2.46206E+07 ppm1      9.159 ppm2      6.630

 ASSI {   71}
   (  segid "   A" and resid 5    and name  HG1#)
   (( segid "   A" and resid 3    and name  HB  ))
      2.653     0.880     0.880 peak    71 weight  1.00000E+00 volume  1.60515E+06 ppm1      0.789 ppm2      4.621

 ASSI {   36}
   (( segid "   A" and resid 5    and name  HA  ))
   (( segid "   A" and resid 5    and name  HB  ))
      2.600     0.845     0.845 peak    36 weight  1.00000E+00 volume  1.81286E+06 ppm1      3.294 ppm2      1.686

 ASSI {   37}
   (( segid "   A" and resid 5    and name  HA  ))
   (  segid "   A" and resid 5    and name  HG2#)
      2.083     0.542     0.542 peak    37 weight  1.00000E+00 volume  6.85466E+06 ppm1      3.294 ppm2      0.808

 ASSI {   41}
   (( segid "   A" and resid 5    and name  HB  ))
   (  segid "   A" and resid 5    and name  HG# )
      1.924     0.463     0.463 peak    41 weight  1.00000E+00 volume  1.10502E+07 ppm1      1.711 ppm2      0.803

 ASSI { 3416}
   (( segid "   A" and resid 5    and name  HB  ))
   (  segid "   A" and resid 5    and name  HG1#)
      1.870     0.437     0.437 peak  3416 weight  1.00000E+00 volume  1.30900E+07 ppm1      0.787 ppm2      1.714

 ASSI {  622}
   (( segid "   A" and resid 5    and name  HB  ))
   (( segid "   A" and resid 5    and name  HN  ))
      2.861     1.024     1.024 peak   622 weight  1.00000E+00 volume  4.85249E+07 ppm1      6.621 ppm2      1.682

 ASSI {  987}
   (  segid "   A" and resid 5    and name  HG1#)
   (( segid "   A" and resid 5    and name  HN  ))
      2.663     0.887     0.887 peak   987 weight  1.00000E+00 volume  7.46802E+07 ppm1      6.623 ppm2      0.774

 ASSI {  984}
   (  segid "   A" and resid 5    and name  HG1#)
   (( segid "   A" and resid 6    and name  HN  ))
      2.166     0.586     0.586 peak   984 weight  1.00000E+00 volume  1.78764E+08 ppm1      7.139 ppm2      0.771

 ASSI { 3406}
   (  segid "   A" and resid 5    and name  HG2#)
   (( segid "   A" and resid 6    and name  HN  ))
      2.478     0.768     0.768 peak  3406 weight  1.00000E+00 volume  2.41700E+06 ppm1      0.831 ppm2      7.152

 ASSI { 3413}
   (  segid "   A" and resid 5    and name  HG1#)
   (( segid "   A" and resid 6    and name  HA  ))
      2.501     0.782     0.782 peak  3413 weight  1.00000E+00 volume  2.29000E+06 ppm1      0.789 ppm2      4.179

 ASSI { 3414}
   (  segid "   A" and resid 5    and name  HG1#)
   (( segid "   A" and resid 6    and name  HB1 ))
      2.714     0.920     0.920 peak  3414 weight  1.00000E+00 volume  1.40200E+06 ppm1      0.790 ppm2      2.754

 ASSI { 1288}
   (( segid "   A" and resid 5    and name  HA  ))
   (( segid "   A" and resid 6    and name  HN  ))
      2.741     0.939     0.939 peak  1288 weight  1.00000E+00 volume  6.27941E+07 ppm1      7.139 ppm2      3.249

 ASSI { 3404}
   (( segid "   A" and resid 5    and name  HA  ))
   (  segid "   A" and resid 8    and name  HB# )
      2.491     0.776     0.776 peak  3404 weight  1.00000E+00 volume  2.34200E+06 ppm1      3.292 ppm2      1.155

 ASSI { 1298}
   (( segid "   A" and resid 5    and name  HA  ))
   (( segid "   A" and resid 8    and name  HN  ))
      2.913     1.061     1.061 peak  1298 weight  1.00000E+00 volume  4.35602E+07 ppm1      7.830 ppm2      3.249

 ASSI {   53}
   (  segid "   A" and resid 5    and name  HG2#)
   (( segid "   A" and resid 27   and name  HA  ))
      2.270     0.644     0.644 peak    53 weight  1.00000E+00 volume  4.09057E+06 ppm1      0.833 ppm2      3.064

 ASSI {   44}
   (  segid "   A" and resid 5    and name  HG2#)
   (  segid "   A" and resid 30   and name  HD1#)
      1.916     0.459     0.459 peak    44 weight  1.00000E+00 volume  5.95007E+06 ppm1      0.832 ppm2      0.547

 ASSI { 3571}
   (( segid "   A" and resid 5    and name  HB  ))
   (  segid "   A" and resid 30   and name  HD1#)
      2.641     0.872     0.872 peak  3571 weight  1.00000E+00 volume  1.64800E+06 ppm1      0.538 ppm2      1.712

 ASSI { 2405}
   (  segid "   A" and resid 5    and name  HG2#)
   (( segid "   A" and resid 30   and name  HN  ))
      2.750     0.945     0.945 peak  2405 weight  1.00000E+00 volume  6.15600E+07 ppm1      7.441 ppm2      0.809

 ASSI {   48}
   (  segid "   A" and resid 5    and name  HG2#)
   (( segid "   A" and resid 31   and name  HN  ))
      2.712     0.919     0.919 peak    48 weight  1.00000E+00 volume  1.40738E+06 ppm1      0.833 ppm2      7.599

 ASSI { 2408}
   (  segid "   A" and resid 5    and name  HG1#)
   (( segid "   A" and resid 31   and name  HN  ))
      2.238     0.626     0.626 peak  2408 weight  1.00000E+00 volume  1.09900E+08 ppm1      7.570 ppm2      0.796

 ASSI { 1412}
   (  segid "   A" and resid 5    and name  HG1#)
   (( segid "   A" and resid 31   and name  HE22))
      2.249     0.632     0.632 peak  1412 weight  1.00000E+00 volume  2.05974E+08 ppm1      6.761 ppm2      0.772

 ASSI {  748}
   (  segid "   A" and resid 5    and name  HG1#)
   (  segid "   A" and resid 31   and name  HB# )
      2.540     0.807     0.807 peak   748 weight  1.00000E+00 volume  2.08324E+06 ppm1      2.124 ppm2      0.817

 ASSI { 3415}
   (  segid "   A" and resid 5    and name  HG1#)
   (( segid "   A" and resid 31   and name  HG2 ))
      2.226     0.619     0.619 peak  3415 weight  1.00000E+00 volume  4.60300E+06 ppm1      0.792 ppm2      2.530

 ASSI { 3577}
   (  segid "   A" and resid 5    and name  HG2#)
   (( segid "   A" and resid 31   and name  HG2 ))
      2.132     0.568     0.568 peak  3577 weight  1.00000E+00 volume  5.95900E+06 ppm1      2.526 ppm2      0.812

 ASSI { 1409}
   (  segid "   A" and resid 5    and name  HG1#)
   (( segid "   A" and resid 31   and name  HE21))
      2.154     0.580     0.580 peak  1409 weight  1.00000E+00 volume  2.66450E+08 ppm1      7.185 ppm2      0.774

 ASSI { 2854}
   (( segid "   A" and resid 5    and name  HB  ))
   (( segid "   A" and resid 31   and name  HE21))
      2.768     0.958     0.958 peak  2854 weight  1.00000E+00 volume  5.92216E+07 ppm1      7.185 ppm2      1.684

 ASSI { 2420}
   (  segid "   A" and resid 5    and name  HG1#)
   (( segid "   A" and resid 32   and name  HN  ))
      3.235     1.308     1.308 peak  2420 weight  1.00000E+00 volume  2.32600E+07 ppm1      7.635 ppm2      0.791

 ASSI { 1192}
   (( segid "   A" and resid 6    and name  HN  ))
   (( segid "   A" and resid 3    and name  HB  ))
      2.955     1.092     1.092 peak  1192 weight  1.00000E+00 volume  3.99962E+07 ppm1      7.140 ppm2      4.629

 ASSI {  895}
   (( segid "   A" and resid 6    and name  HN  ))
   (( segid "   A" and resid 4    and name  HN  ))
      3.378     1.426     1.426 peak   895 weight  1.00000E+00 volume  1.79337E+07 ppm1      7.142 ppm2      9.153

 ASSI {  425}
   (( segid "   A" and resid 6    and name  HN  ))
   (( segid "   A" and resid 5    and name  HN  ))
      2.427     0.737     0.737 peak   425 weight  1.00000E+00 volume  3.14545E+07 ppm1      6.623 ppm2      7.139

 ASSI {   93}
   (( segid "   A" and resid 6    and name  HA  ))
   (( segid "   A" and resid 6    and name  HB1 ))
      2.291     0.656     0.656 peak    93 weight  1.00000E+00 volume  3.86751E+06 ppm1      4.207 ppm2      2.688

 ASSI {   92}
   (( segid "   A" and resid 6    and name  HA  ))
   (( segid "   A" and resid 6    and name  HB2 ))
      2.668     0.890     0.890 peak    92 weight  1.00000E+00 volume  1.55215E+06 ppm1      4.207 ppm2      2.910

 ASSI {  625}
   (( segid "   A" and resid 6    and name  HN  ))
   (( segid "   A" and resid 6    and name  HB1 ))
      2.448     0.749     0.749 peak   625 weight  1.00000E+00 volume  1.23926E+08 ppm1      7.139 ppm2      2.690

 ASSI {  101}
   (( segid "   A" and resid 6    and name  HB2 ))
   (( segid "   A" and resid 6    and name  HB1 ))
      1.932     0.466     0.466 peak   101 weight  1.00000E+00 volume  1.07768E+07 ppm1      2.699 ppm2      2.874

 ASSI {  624}
   (( segid "   A" and resid 6    and name  HN  ))
   (( segid "   A" and resid 6    and name  HA  ))
      2.355     0.693     0.693 peak   624 weight  1.00000E+00 volume  1.56263E+08 ppm1      7.138 ppm2      4.190

 ASSI { 1025}
   (( segid "   A" and resid 6    and name  HN  ))
   (( segid "   A" and resid 6    and name  HB2 ))
      2.367     0.700     0.700 peak  1025 weight  1.00000E+00 volume  1.51386E+08 ppm1      7.139 ppm2      2.879

 ASSI {   30}
   (( segid "   A" and resid 6    and name  HN  ))
   (( segid "   A" and resid 7    and name  HN  ))
      2.458     0.755     0.755 peak    30 weight  1.00000E+00 volume  8.31868E+07 ppm1      8.080 ppm2      7.140

 ASSI {  451}
   (( segid "   A" and resid 6    and name  HB1 ))
   (( segid "   A" and resid 7    and name  HN  ))
      2.630     0.865     0.865 peak   451 weight  1.00000E+00 volume  6.92488E+07 ppm1      8.080 ppm2      2.688

 ASSI { 1026}
   (( segid "   A" and resid 6    and name  HB2 ))
   (( segid "   A" and resid 7    and name  HN  ))
      2.719     0.924     0.924 peak  1026 weight  1.00000E+00 volume  6.58583E+07 ppm1      8.079 ppm2      2.879

 ASSI {  896}
   (( segid "   A" and resid 6    and name  HN  ))
   (( segid "   A" and resid 8    and name  HN  ))
      3.134     1.228     1.228 peak   896 weight  1.00000E+00 volume  2.80931E+07 ppm1      7.139 ppm2      7.806

 ASSI { 1290}
   (( segid "   A" and resid 6    and name  HN  ))
   (  segid "   A" and resid 8    and name  HB# )
      3.328     1.385     1.385 peak  1290 weight  1.00000E+00 volume  1.95929E+07 ppm1      7.139 ppm2      1.117

 ASSI { 3481}
   (( segid "   A" and resid 6    and name  HA  ))
   (( segid "   A" and resid 9    and name  HB  ))
      3.082     1.187     1.187 peak  3481 weight  1.00000E+00 volume  6.53000E+05 ppm1      2.074 ppm2      4.205
 OR { 3481}
   (( segid "   A" and resid 23   and name  HB  ))
   (( segid "   A" and resid 24   and name  HA  ))

 ASSI { 2338}
   (( segid "   A" and resid 6    and name  HA  ))
   (( segid "   A" and resid 9    and name  HN  ))
      3.383     1.431     1.431 peak  2338 weight  1.00000E+00 volume  1.77700E+07 ppm1      8.366 ppm2      4.186

 ASSI { 1284}
   (  segid "   A" and resid 7    and name  HD1#)
   (( segid "   A" and resid 5    and name  HN  ))
      3.180     1.264     1.264 peak  1284 weight  1.00000E+00 volume  2.57649E+07 ppm1      6.626 ppm2      0.693

 ASSI { 3422}
   (( segid "   A" and resid 7    and name  HG11))
   (( segid "   A" and resid 6    and name  HB2 ))
      2.255     0.636     0.636 peak  3422 weight  1.00000E+00 volume  3.51600E+06 ppm1      2.699 ppm2      1.546

 ASSI {  121}
   (( segid "   A" and resid 7    and name  HA  ))
   (( segid "   A" and resid 7    and name  HG11))
      2.239     0.627     0.627 peak   121 weight  1.00000E+00 volume  4.43913E+06 ppm1      3.602 ppm2      1.555

 ASSI {  123}
   (( segid "   A" and resid 7    and name  HA  ))
   (  segid "   A" and resid 7    and name  HG2#)
      2.179     0.593     0.593 peak   123 weight  1.00000E+00 volume  5.23304E+06 ppm1      3.603 ppm2      0.637

 ASSI {  130}
   (  segid "   A" and resid 7    and name  HD1#)
   (( segid "   A" and resid 7    and name  HB  ))
      1.971     0.485     0.485 peak   130 weight  1.00000E+00 volume  9.56001E+06 ppm1      1.617 ppm2      0.674

 ASSI {  139}
   (( segid "   A" and resid 7    and name  HG12))
   (  segid "   A" and resid 7    and name  HD1#)
      2.109     0.556     0.556 peak   139 weight  1.00000E+00 volume  6.37089E+06 ppm1      0.689 ppm2      1.027

 ASSI {  140}
   (( segid "   A" and resid 7    and name  HG11))
   (  segid "   A" and resid 7    and name  HD1#)
      1.909     0.456     0.456 peak   140 weight  1.00000E+00 volume  1.15542E+07 ppm1      0.691 ppm2      1.548

 ASSI {  985}
   (  segid "   A" and resid 7    and name  HD1#)
   (( segid "   A" and resid 7    and name  HN  ))
      2.346     0.688     0.688 peak   985 weight  1.00000E+00 volume  1.59830E+08 ppm1      8.080 ppm2      0.689

 ASSI {  122}
   (( segid "   A" and resid 7    and name  HA  ))
   (( segid "   A" and resid 7    and name  HG12))
      2.375     0.705     0.705 peak   122 weight  1.00000E+00 volume  3.12254E+06 ppm1      3.603 ppm2      1.042

 ASSI {  151}
   (( segid "   A" and resid 7    and name  HG12))
   (( segid "   A" and resid 7    and name  HG11))
      2.083     0.542     0.542 peak   151 weight  1.00000E+00 volume  6.85363E+06 ppm1      1.032 ppm2      1.557

 ASSI {  164}
   (( segid "   A" and resid 7    and name  HG12))
   (  segid "   A" and resid 7    and name  HG2#)
      2.228     0.620     0.620 peak   164 weight  1.00000E+00 volume  4.58234E+06 ppm1      0.620 ppm2      1.025

 ASSI {  166}
   (  segid "   A" and resid 7    and name  HG2#)
   (( segid "   A" and resid 7    and name  HB  ))
      2.074     0.538     0.538 peak   166 weight  1.00000E+00 volume  7.03557E+06 ppm1      0.622 ppm2      1.586

 ASSI { 3427}
   (( segid "   A" and resid 7    and name  HG12))
   (( segid "   A" and resid 7    and name  HB  ))
      2.618     0.857     0.857 peak  3427 weight  1.00000E+00 volume  1.73700E+06 ppm1      1.620 ppm2      1.075

 ASSI {  626}
   (( segid "   A" and resid 7    and name  HA  ))
   (( segid "   A" and resid 7    and name  HN  ))
      2.514     0.790     0.790 peak   626 weight  1.00000E+00 volume  1.05559E+08 ppm1      8.078 ppm2      3.588

 ASSI { 1125}
   (( segid "   A" and resid 7    and name  HG12))
   (( segid "   A" and resid 7    and name  HN  ))
      2.469     0.762     0.762 peak  1125 weight  1.00000E+00 volume  1.17610E+08 ppm1      8.081 ppm2      1.021

 ASSI { 1165}
   (( segid "   A" and resid 7    and name  HN  ))
   (( segid "   A" and resid 7    and name  HB  ))
      2.193     0.601     0.601 peak  1165 weight  1.00000E+00 volume  2.39671E+08 ppm1      8.080 ppm2      1.604

 ASSI { 1166}
   (( segid "   A" and resid 7    and name  HG11))
   (( segid "   A" and resid 7    and name  HN  ))
      2.126     0.565     0.565 peak  1166 weight  1.00000E+00 volume  2.88523E+08 ppm1      8.076 ppm2      1.546

 ASSI { 3431}
   (  segid "   A" and resid 7    and name  HG2#)
   (( segid "   A" and resid 8    and name  HA  ))
      2.966     1.100     1.100 peak  3431 weight  1.00000E+00 volume  8.22200E+05 ppm1      0.620 ppm2      3.766

 ASSI {   29}
   (( segid "   A" and resid 7    and name  HN  ))
   (( segid "   A" and resid 8    and name  HN  ))
      2.531     0.801     0.801 peak    29 weight  1.00000E+00 volume  1.01384E+08 ppm1      8.079 ppm2      7.822

 ASSI {  453}
   (( segid "   A" and resid 7    and name  HA  ))
   (( segid "   A" and resid 8    and name  HN  ))
      2.874     1.032     1.032 peak   453 weight  1.00000E+00 volume  4.73126E+07 ppm1      7.828 ppm2      3.595

 ASSI { 1198}
   (( segid "   A" and resid 7    and name  HB  ))
   (( segid "   A" and resid 8    and name  HN  ))
      2.479     0.768     0.768 peak  1198 weight  1.00000E+00 volume  1.14799E+08 ppm1      7.829 ppm2      1.593

 ASSI {  232}
   (( segid "   A" and resid 7    and name  HN  ))
   (( segid "   A" and resid 9    and name  HN  ))
      3.327     1.383     1.383 peak   232 weight  1.00000E+00 volume  1.96504E+07 ppm1      8.080 ppm2      8.351

 ASSI { 2332}
   (( segid "   A" and resid 7    and name  HA  ))
   (( segid "   A" and resid 9    and name  HN  ))
      3.065     1.174     1.174 peak  2332 weight  1.00000E+00 volume  3.21400E+07 ppm1      8.366 ppm2      3.617

 ASSI {  120}
   (( segid "   A" and resid 7    and name  HA  ))
   (( segid "   A" and resid 10   and name  HB2 ))
      2.592     0.840     0.840 peak   120 weight  1.00000E+00 volume  1.84362E+06 ppm1      3.603 ppm2      2.925

 ASSI { 2267}
   (( segid "   A" and resid 7    and name  HG12))
   (( segid "   A" and resid 10   and name  HD22))
      3.176     1.261     1.261 peak  2267 weight  1.00000E+00 volume  2.59437E+07 ppm1      7.013 ppm2      0.993

 ASSI { 1206}
   (( segid "   A" and resid 7    and name  HA  ))
   (( segid "   A" and resid 10   and name  HN  ))
      2.826     0.998     0.998 peak  1206 weight  1.00000E+00 volume  5.23422E+07 ppm1      7.628 ppm2      3.609

 ASSI { 2341}
   (( segid "   A" and resid 7    and name  HG12))
   (( segid "   A" and resid 10   and name  HD21))
      3.171     1.257     1.257 peak  2341 weight  1.00000E+00 volume  2.62200E+07 ppm1      7.774 ppm2      0.995

 ASSI { 1234}
   (( segid "   A" and resid 7    and name  HA  ))
   (( segid "   A" and resid 10   and name  HD21))
      3.236     1.309     1.309 peak  1234 weight  1.00000E+00 volume  2.32068E+07 ppm1      7.776 ppm2      3.595

 ASSI { 2368}
   (( segid "   A" and resid 7    and name  HN  ))
   (( segid "   A" and resid 10   and name  HN  ))
      3.434     1.474     1.474 peak  2368 weight  1.00000E+00 volume  1.62400E+07 ppm1      8.077 ppm2      7.651

 ASSI {  209}
   (  segid "   A" and resid 7    and name  HG2#)
   (  segid "   A" and resid 11   and name  HG2#)
      2.503     0.783     0.783 peak   209 weight  1.00000E+00 volume  1.39694E+06 ppm1      1.337 ppm2      0.636

 ASSI { 3432}
   (  segid "   A" and resid 7    and name  HG2#)
   (( segid "   A" and resid 11   and name  HA  ))
      2.580     0.832     0.832 peak  3432 weight  1.00000E+00 volume  1.90000E+06 ppm1      0.624 ppm2      4.770

 ASSI { 2336}
   (( segid "   A" and resid 7    and name  HA  ))
   (( segid "   A" and resid 11   and name  HN  ))
      3.002     1.126     1.126 peak  2336 weight  1.00000E+00 volume  3.64200E+07 ppm1      7.498 ppm2      3.610

 ASSI { 2337}
   (  segid "   A" and resid 7    and name  HG2#)
   (( segid "   A" and resid 11   and name  HN  ))
      3.051     1.164     1.164 peak  2337 weight  1.00000E+00 volume  3.30200E+07 ppm1      7.498 ppm2      0.604

 ASSI {  174}
   (( segid "   A" and resid 8    and name  HA  ))
   (  segid "   A" and resid 8    and name  HB# )
      2.066     0.534     0.534 peak   174 weight  1.00000E+00 volume  7.19438E+06 ppm1      3.774 ppm2      1.155

 ASSI { 1027}
   (( segid "   A" and resid 8    and name  HA  ))
   (( segid "   A" and resid 8    and name  HN  ))
      2.425     0.735     0.735 peak  1027 weight  1.00000E+00 volume  6.60013E+07 ppm1      7.829 ppm2      3.768

 ASSI { 1028}
   (  segid "   A" and resid 8    and name  HB# )
   (( segid "   A" and resid 8    and name  HN  ))
      2.277     0.648     0.648 peak  1028 weight  1.00000E+00 volume  1.90896E+08 ppm1      7.829 ppm2      1.121

 ASSI {   55}
   (( segid "   A" and resid 8    and name  HN  ))
   (( segid "   A" and resid 9    and name  HN  ))
      2.819     0.994     0.994 peak    55 weight  1.00000E+00 volume  5.30346E+07 ppm1      7.830 ppm2      8.354

 ASSI { 2331}
   (  segid "   A" and resid 8    and name  HB# )
   (( segid "   A" and resid 9    and name  HN  ))
      3.017     1.138     1.138 peak  2331 weight  1.00000E+00 volume  3.53300E+07 ppm1      8.362 ppm2      1.127

 ASSI {   50}
   (( segid "   A" and resid 8    and name  HN  ))
   (( segid "   A" and resid 10   and name  HN  ))
      3.105     1.205     1.205 peak    50 weight  1.00000E+00 volume  2.97042E+07 ppm1      7.631 ppm2      7.839

 ASSI { 3441}
   (( segid "   A" and resid 8    and name  HA  ))
   (  segid "   A" and resid 11   and name  HG2#)
      2.305     0.664     0.664 peak  3441 weight  1.00000E+00 volume  3.73000E+06 ppm1      1.337 ppm2      3.803

 ASSI { 2335}
   (( segid "   A" and resid 8    and name  HA  ))
   (( segid "   A" and resid 11   and name  HN  ))
      2.888     1.043     1.043 peak  2335 weight  1.00000E+00 volume  4.59200E+07 ppm1      7.500 ppm2      3.780

 ASSI {  173}
   (( segid "   A" and resid 8    and name  HA  ))
   (  segid "   A" and resid 18   and name  HG2#)
      2.454     0.752     0.752 peak   173 weight  1.00000E+00 volume  2.56615E+06 ppm1      3.774 ppm2      0.947

 ASSI { 4249}
   (( segid "   A" and resid 9    and name  HB  ))
   (  segid "   A" and resid 9    and name  HG1#)
      2.108     0.555     0.555 peak  4249 weight  1.00000E+00 volume  6.38745E+06 ppm1      1.015 ppm2      2.095

 ASSI { 4251}
   (  segid "   A" and resid 9    and name  HG1#)
   (( segid "   A" and resid 9    and name  HA  ))
      1.922     0.462     0.462 peak  4251 weight  1.00000E+00 volume  1.11127E+07 ppm1      1.016 ppm2      3.671

 ASSI { 2909}
   (( segid "   A" and resid 9    and name  HB  ))
   (( segid "   A" and resid 9    and name  HN  ))
      2.699     0.910     0.910 peak  2909 weight  1.00000E+00 volume  6.89702E+07 ppm1      8.364 ppm2      2.077

 ASSI { 2911}
   (( segid "   A" and resid 9    and name  HN  ))
   (  segid "   A" and resid 9    and name  HG2#)
      2.184     0.596     0.596 peak  2911 weight  1.00000E+00 volume  4.73037E+07 ppm1      8.367 ppm2      0.857

 ASSI {   49}
   (( segid "   A" and resid 9    and name  HN  ))
   (( segid "   A" and resid 10   and name  HN  ))
      2.831     1.002     1.002 peak    49 weight  1.00000E+00 volume  5.17926E+07 ppm1      7.625 ppm2      8.364

 ASSI { 3434}
   (( segid "   A" and resid 10   and name  HB2 ))
   (  segid "   A" and resid 7    and name  HG2#)
      2.679     0.897     0.897 peak  3434 weight  1.00000E+00 volume  1.51500E+06 ppm1      2.927 ppm2      0.584

 ASSI {  182}
   (( segid "   A" and resid 10   and name  HB2 ))
   (( segid "   A" and resid 10   and name  HB1 ))
      1.712     0.366     0.366 peak   182 weight  1.00000E+00 volume  1.46285E+07 ppm1      2.932 ppm2      2.709

 ASSI {  189}
   (( segid "   A" and resid 10   and name  HB2 ))
   (( segid "   A" and resid 10   and name  HA  ))
      2.215     0.614     0.614 peak   189 weight  1.00000E+00 volume  4.73443E+06 ppm1      2.932 ppm2      4.732

 ASSI { 1224}
   (( segid "   A" and resid 10   and name  HB2 ))
   (( segid "   A" and resid 10   and name  HD21))
      2.658     0.883     0.883 peak  1224 weight  1.00000E+00 volume  7.55544E+07 ppm1      7.773 ppm2      2.901

 ASSI {  627}
   (( segid "   A" and resid 10   and name  HB1 ))
   (( segid "   A" and resid 10   and name  HN  ))
      2.470     0.762     0.762 peak   627 weight  1.00000E+00 volume  1.17388E+08 ppm1      7.627 ppm2      2.685

 ASSI {  628}
   (( segid "   A" and resid 10   and name  HB2 ))
   (( segid "   A" and resid 10   and name  HN  ))
      2.659     0.884     0.884 peak   628 weight  1.00000E+00 volume  7.54352E+07 ppm1      7.626 ppm2      2.903

 ASSI {  629}
   (( segid "   A" and resid 10   and name  HA  ))
   (( segid "   A" and resid 10   and name  HN  ))
      2.548     0.812     0.812 peak   629 weight  1.00000E+00 volume  9.73490E+07 ppm1      7.631 ppm2      4.710

 ASSI { 1222}
   (( segid "   A" and resid 10   and name  HB1 ))
   (( segid "   A" and resid 10   and name  HD22))
      2.628     0.863     0.863 peak  1222 weight  1.00000E+00 volume  8.09033E+07 ppm1      7.014 ppm2      2.693

 ASSI { 1223}
   (( segid "   A" and resid 10   and name  HB2 ))
   (( segid "   A" and resid 10   and name  HD22))
      2.719     0.924     0.924 peak  1223 weight  1.00000E+00 volume  5.49270E+07 ppm1      7.013 ppm2      2.904

 ASSI { 1225}
   (( segid "   A" and resid 10   and name  HB1 ))
   (( segid "   A" and resid 10   and name  HD21))
      2.477     0.767     0.767 peak  1225 weight  1.00000E+00 volume  1.15433E+08 ppm1      7.772 ppm2      2.692

 ASSI {  616}
   (( segid "   A" and resid 10   and name  HB2 ))
   (( segid "   A" and resid 11   and name  HN  ))
      3.008     1.131     1.131 peak   616 weight  1.00000E+00 volume  3.59639E+07 ppm1      7.498 ppm2      2.901

 ASSI {  617}
   (( segid "   A" and resid 10   and name  HB1 ))
   (( segid "   A" and resid 11   and name  HN  ))
      2.925     1.070     1.070 peak   617 weight  1.00000E+00 volume  4.25165E+07 ppm1      7.498 ppm2      2.698

 ASSI { 2294}
   (( segid "   A" and resid 11   and name  HN  ))
   (( segid "   A" and resid 9    and name  HN  ))
      3.215     1.292     1.292 peak  2294 weight  1.00000E+00 volume  2.41300E+07 ppm1      7.497 ppm2      8.366

 ASSI {   51}
   (( segid "   A" and resid 11   and name  HN  ))
   (( segid "   A" and resid 10   and name  HN  ))
      2.388     0.713     0.713 peak    51 weight  1.00000E+00 volume  9.50322E+07 ppm1      7.631 ppm2      7.519

 ASSI {  207}
   (( segid "   A" and resid 11   and name  HB  ))
   (  segid "   A" and resid 11   and name  HG2#)
      2.097     0.550     0.550 peak   207 weight  1.00000E+00 volume  6.14397E+06 ppm1      4.134 ppm2      1.294

 ASSI {  215}
   (  segid "   A" and resid 11   and name  HG2#)
   (( segid "   A" and resid 11   and name  HA  ))
      2.111     0.557     0.557 peak   215 weight  1.00000E+00 volume  6.32468E+06 ppm1      1.335 ppm2      4.743

 ASSI { 3442}
   (  segid "   A" and resid 11   and name  HG2#)
   (( segid "   A" and resid 11   and name  HG1 ))
      2.806     0.984     0.984 peak  3442 weight  1.00000E+00 volume  1.14600E+06 ppm1      1.338 ppm2      5.931

 ASSI { 1031}
   (  segid "   A" and resid 11   and name  HG2#)
   (( segid "   A" and resid 11   and name  HN  ))
      2.628     0.863     0.863 peak  1031 weight  1.00000E+00 volume  6.82132E+07 ppm1      7.499 ppm2      1.306

 ASSI { 1029}
   (( segid "   A" and resid 11   and name  HA  ))
   (( segid "   A" and resid 11   and name  HN  ))
      2.462     0.757     0.757 peak  1029 weight  1.00000E+00 volume  1.19758E+08 ppm1      7.500 ppm2      4.737

 ASSI { 2334}
   (( segid "   A" and resid 11   and name  HN  ))
   (( segid "   A" and resid 11   and name  HG1 ))
      2.846     1.013     1.013 peak  2334 weight  1.00000E+00 volume  5.01100E+07 ppm1      7.499 ppm2      5.974

 ASSI {  256}
   (( segid "   A" and resid 11   and name  HA  ))
   (( segid "   A" and resid 12   and name  HD2 ))
      2.312     0.668     0.668 peak   256 weight  1.00000E+00 volume  3.66771E+06 ppm1      4.058 ppm2      4.739

 ASSI { 3445}
   (  segid "   A" and resid 11   and name  HG2#)
   (( segid "   A" and resid 12   and name  HD2 ))
      2.583     0.834     0.834 peak  3445 weight  1.00000E+00 volume  1.88300E+06 ppm1      4.058 ppm2      1.324

 ASSI { 3446}
   (  segid "   A" and resid 11   and name  HG2#)
   (( segid "   A" and resid 12   and name  HD1 ))
      2.520     0.794     0.794 peak  3446 weight  1.00000E+00 volume  2.18700E+06 ppm1      3.807 ppm2      1.343

 ASSI { 3440}
   (  segid "   A" and resid 11   and name  HG2#)
   (( segid "   A" and resid 14   and name  HB2 ))
      2.818     0.992     0.992 peak  3440 weight  1.00000E+00 volume  1.11900E+06 ppm1      1.335 ppm2      3.539

 ASSI { 1240}
   (  segid "   A" and resid 11   and name  HG2#)
   (( segid "   A" and resid 14   and name  HN  ))
      3.278     1.344     1.344 peak  1240 weight  1.00000E+00 volume  2.14544E+07 ppm1      7.545 ppm2      1.304
 OR { 1240}
   (  segid "   A" and resid 24   and name  HB# )
   (( segid "   A" and resid 63   and name  HN  ))

 ASSI { 2370}
   (( segid "   A" and resid 11   and name  HA  ))
   (( segid "   A" and resid 14   and name  HN  ))
      3.245     1.316     1.316 peak  2370 weight  1.00000E+00 volume  2.28100E+07 ppm1      7.552 ppm2      4.788

 ASSI { 2346}
   (  segid "   A" and resid 11   and name  HG2#)
   (( segid "   A" and resid 14   and name  HN  ))
      3.279     1.344     1.344 peak  2346 weight  1.00000E+00 volume  2.14500E+07 ppm1      7.545 ppm2      1.304

 ASSI {  227}
   (( segid "   A" and resid 12   and name  HB1 ))
   (( segid "   A" and resid 12   and name  HB2 ))
      1.821     0.414     0.414 peak   227 weight  1.00000E+00 volume  1.53598E+07 ppm1      2.381 ppm2      1.898

 ASSI {  221}
   (( segid "   A" and resid 12   and name  HA  ))
   (( segid "   A" and resid 12   and name  HB1 ))
      2.178     0.593     0.593 peak   221 weight  1.00000E+00 volume  3.53700E+06 ppm1      4.368 ppm2      2.397

 ASSI {  238}
   (( segid "   A" and resid 12   and name  HB2 ))
   (( segid "   A" and resid 12   and name  HD2 ))
      2.312     0.668     0.668 peak   238 weight  1.00000E+00 volume  3.66709E+06 ppm1      1.906 ppm2      4.057

 ASSI {  243}
   (( segid "   A" and resid 12   and name  HD2 ))
   (( segid "   A" and resid 12   and name  HD1 ))
      1.990     0.495     0.495 peak   243 weight  1.00000E+00 volume  7.41721E+06 ppm1      4.056 ppm2      3.815

 ASSI {  253}
   (( segid "   A" and resid 12   and name  HB1 ))
   (( segid "   A" and resid 12   and name  HD2 ))
      2.791     0.974     0.974 peak   253 weight  1.00000E+00 volume  1.18387E+06 ppm1      4.060 ppm2      2.370

 ASSI {  261}
   (( segid "   A" and resid 12   and name  HG1 ))
   (( segid "   A" and resid 12   and name  HG2 ))
      1.615     0.326     0.326 peak   261 weight  1.00000E+00 volume  3.15631E+07 ppm1      2.133 ppm2      2.011

 ASSI {  264}
   (( segid "   A" and resid 12   and name  HB1 ))
   (( segid "   A" and resid 12   and name  HG2 ))
      2.174     0.591     0.591 peak   264 weight  1.00000E+00 volume  5.29585E+06 ppm1      2.012 ppm2      2.353

 ASSI {  252}
   (( segid "   A" and resid 12   and name  HD1 ))
   (( segid "   A" and resid 12   and name  HG1 ))
      2.199     0.604     0.604 peak   252 weight  1.00000E+00 volume  3.52306E+06 ppm1      3.812 ppm2      2.161

 ASSI {  266}
   (( segid "   A" and resid 12   and name  HD1 ))
   (( segid "   A" and resid 12   and name  HG2 ))
      2.075     0.538     0.538 peak   266 weight  1.00000E+00 volume  7.01071E+06 ppm1      2.012 ppm2      3.811

 ASSI {  251}
   (( segid "   A" and resid 12   and name  HD2 ))
   (( segid "   A" and resid 12   and name  HG1 ))
      2.337     0.683     0.683 peak   251 weight  1.00000E+00 volume  1.61658E+06 ppm1      4.060 ppm2      2.164

 ASSI {  269}
   (( segid "   A" and resid 12   and name  HA  ))
   (( segid "   A" and resid 12   and name  HG1 ))
      2.588     0.837     0.837 peak   269 weight  1.00000E+00 volume  1.86425E+06 ppm1      2.139 ppm2      4.343

 ASSI {  268}
   (( segid "   A" and resid 12   and name  HD2 ))
   (( segid "   A" and resid 12   and name  HG2 ))
      2.331     0.679     0.679 peak   268 weight  1.00000E+00 volume  3.04606E+06 ppm1      2.005 ppm2      4.033

 ASSI {  263}
   (( segid "   A" and resid 12   and name  HB1 ))
   (( segid "   A" and resid 12   and name  HG1 ))
      1.978     0.489     0.489 peak   263 weight  1.00000E+00 volume  6.21820E+06 ppm1      2.136 ppm2      2.351

 ASSI {  454}
   (( segid "   A" and resid 12   and name  HA  ))
   (( segid "   A" and resid 13   and name  HN  ))
      2.349     0.690     0.690 peak   454 weight  1.00000E+00 volume  2.25150E+07 ppm1      8.820 ppm2      4.315

 ASSI { 2371}
   (( segid "   A" and resid 12   and name  HA  ))
   (( segid "   A" and resid 14   and name  HN  ))
      3.266     1.333     1.333 peak  2371 weight  1.00000E+00 volume  2.19500E+07 ppm1      7.547 ppm2      4.325

 ASSI {  275}
   (( segid "   A" and resid 13   and name  HA2 ))
   (( segid "   A" and resid 13   and name  HA1 ))
      1.831     0.419     0.419 peak   275 weight  1.00000E+00 volume  5.17051E+06 ppm1      4.079 ppm2      3.688

 ASSI {  631}
   (( segid "   A" and resid 13   and name  HA2 ))
   (( segid "   A" and resid 13   and name  HN  ))
      2.925     1.069     1.069 peak   631 weight  1.00000E+00 volume  1.95693E+07 ppm1      8.817 ppm2      4.053

 ASSI {  630}
   (( segid "   A" and resid 13   and name  HA1 ))
   (( segid "   A" and resid 13   and name  HN  ))
      1.970     0.485     0.485 peak   630 weight  1.00000E+00 volume  1.50391E+07 ppm1      8.811 ppm2      3.708

 ASSI {  356}
   (( segid "   A" and resid 13   and name  HN  ))
   (( segid "   A" and resid 14   and name  HN  ))
      3.233     1.306     1.306 peak   356 weight  1.00000E+00 volume  2.33309E+07 ppm1      7.545 ppm2      8.814

 ASSI {  633}
   (( segid "   A" and resid 13   and name  HA1 ))
   (( segid "   A" and resid 14   and name  HN  ))
      2.882     1.038     1.038 peak   633 weight  1.00000E+00 volume  4.65331E+07 ppm1      7.546 ppm2      3.706

 ASSI {  293}
   (( segid "   A" and resid 14   and name  HB2 ))
   (( segid "   A" and resid 14   and name  HA  ))
      2.645     0.874     0.874 peak   293 weight  1.00000E+00 volume  1.63675E+06 ppm1      3.557 ppm2      5.691

 ASSI { 1238}
   (( segid "   A" and resid 14   and name  HB2 ))
   (( segid "   A" and resid 14   and name  HN  ))
      2.775     0.962     0.962 peak  1238 weight  1.00000E+00 volume  5.83828E+07 ppm1      7.549 ppm2      3.545

 ASSI { 2305}
   (( segid "   A" and resid 14   and name  HA  ))
   (( segid "   A" and resid 14   and name  HN  ))
      2.886     1.041     1.041 peak  2305 weight  1.00000E+00 volume  4.60600E+07 ppm1      7.546 ppm2      5.701

 ASSI { 1611}
   (( segid "   A" and resid 14   and name  HB1 ))
   (( segid "   A" and resid 14   and name  HN  ))
      2.491     0.776     0.776 peak  1611 weight  1.00000E+00 volume  1.11394E+08 ppm1      7.554 ppm2      3.717

 ASSI { 1168}
   (( segid "   A" and resid 14   and name  HA  ))
   (( segid "   A" and resid 15   and name  HN  ))
      2.701     0.912     0.912 peak  1168 weight  1.00000E+00 volume  6.86339E+07 ppm1      8.462 ppm2      5.685

 ASSI { 1242}
   (( segid "   A" and resid 14   and name  HB2 ))
   (( segid "   A" and resid 15   and name  HN  ))
      2.728     0.930     0.930 peak  1242 weight  1.00000E+00 volume  6.46726E+07 ppm1      8.460 ppm2      3.572

 ASSI { 1243}
   (( segid "   A" and resid 14   and name  HB1 ))
   (( segid "   A" and resid 15   and name  HN  ))
      3.018     1.138     1.138 peak  1243 weight  1.00000E+00 volume  3.52578E+07 ppm1      8.462 ppm2      3.705

 ASSI { 1310}
   (( segid "   A" and resid 14   and name  HB2 ))
   (( segid "   A" and resid 18   and name  HN  ))
      2.796     0.977     0.977 peak  1310 weight  1.00000E+00 volume  5.57628E+07 ppm1      8.391 ppm2      3.572

 ASSI {  299}
   (( segid "   A" and resid 15   and name  HB1 ))
   (( segid "   A" and resid 15   and name  HB2 ))
      1.774     0.393     0.393 peak   299 weight  1.00000E+00 volume  1.79609E+07 ppm1      3.934 ppm2      4.087

 ASSI {  636}
   (( segid "   A" and resid 15   and name  HB1 ))
   (( segid "   A" and resid 15   and name  HN  ))
      2.089     0.545     0.545 peak   636 weight  1.00000E+00 volume  3.20894E+08 ppm1      8.462 ppm2      4.059

 ASSI { 1169}
   (( segid "   A" and resid 15   and name  HN  ))
   (( segid "   A" and resid 15   and name  HA  ))
      2.608     0.850     0.850 peak  1169 weight  1.00000E+00 volume  8.47466E+07 ppm1      8.461 ppm2      4.796

 ASSI {  606}
   (( segid "   A" and resid 15   and name  HB2 ))
   (( segid "   A" and resid 16   and name  HN  ))
      2.979     1.109     1.109 peak   606 weight  1.00000E+00 volume  3.81061E+07 ppm1     10.561 ppm2      3.917

 ASSI {  607}
   (( segid "   A" and resid 15   and name  HB1 ))
   (( segid "   A" and resid 16   and name  HN  ))
      2.749     0.945     0.945 peak   607 weight  1.00000E+00 volume  6.16785E+07 ppm1     10.561 ppm2      4.058

 ASSI { 1338}
   (( segid "   A" and resid 15   and name  HB1 ))
   (( segid "   A" and resid 18   and name  HN  ))
      3.086     1.190     1.190 peak  1338 weight  1.00000E+00 volume  3.08473E+07 ppm1      8.380 ppm2      4.056
 OR { 1338}
   (( segid "   A" and resid 22   and name  HA  ))
   (( segid "   A" and resid 26   and name  HN  ))
 OR { 1338}
   (( segid "   A" and resid 68   and name  HA  ))
   (( segid "   A" and resid 69   and name  HN  ))

 ASSI { 2353}
   (( segid "   A" and resid 15   and name  HB1 ))
   (( segid "   A" and resid 18   and name  HN  ))
      2.742     0.940     0.940 peak  2353 weight  1.00000E+00 volume  6.27100E+07 ppm1      8.388 ppm2      4.053

 ASSI { 1170}
   (( segid "   A" and resid 16   and name  HN  ))
   (( segid "   A" and resid 15   and name  HA  ))
      2.723     0.927     0.927 peak  1170 weight  1.00000E+00 volume  6.53794E+07 ppm1     10.561 ppm2      4.798

 ASSI { 1249}
   (  segid "   A" and resid 16   and name  HG2#)
   (( segid "   A" and resid 16   and name  HN  ))
      2.940     1.081     1.081 peak  1249 weight  1.00000E+00 volume  4.12420E+07 ppm1     10.563 ppm2      0.156

 ASSI { 2350}
   (( segid "   A" and resid 16   and name  HN  ))
   (( segid "   A" and resid 16   and name  HB  ))
      2.361     0.697     0.697 peak  2350 weight  1.00000E+00 volume  1.53800E+08 ppm1     10.562 ppm2      3.583

 ASSI { 2358}
   (  segid "   A" and resid 16   and name  HG2#)
   (( segid "   A" and resid 20   and name  HN  ))
      3.280     1.344     1.344 peak  2358 weight  1.00000E+00 volume  2.14100E+07 ppm1      8.583 ppm2      0.147

 ASSI {  180}
   (  segid "   A" and resid 18   and name  HG2#)
   (  segid "   A" and resid 8    and name  HB# )
      2.471     0.763     0.763 peak   180 weight  1.00000E+00 volume  2.45715E+06 ppm1      1.164 ppm2      0.950

 ASSI {  205}
   (  segid "   A" and resid 18   and name  HG1#)
   (( segid "   A" and resid 11   and name  HB  ))
      2.472     0.764     0.764 peak   205 weight  1.00000E+00 volume  2.45342E+06 ppm1      4.125 ppm2      0.815

 ASSI {  210}
   (  segid "   A" and resid 18   and name  HG1#)
   (  segid "   A" and resid 11   and name  HG2#)
      2.461     0.757     0.757 peak   210 weight  1.00000E+00 volume  2.51894E+06 ppm1      1.340 ppm2      0.834

 ASSI { 3456}
   (  segid "   A" and resid 18   and name  HG2#)
   (  segid "   A" and resid 11   and name  HG2#)
      2.672     0.893     0.893 peak  3456 weight  1.00000E+00 volume  1.53800E+06 ppm1      0.943 ppm2      1.357

 ASSI { 2344}
   (  segid "   A" and resid 18   and name  HG1#)
   (( segid "   A" and resid 11   and name  HN  ))
      3.269     1.336     1.336 peak  2344 weight  1.00000E+00 volume  2.18100E+07 ppm1      7.503 ppm2      0.863

 ASSI { 3452}
   (  segid "   A" and resid 18   and name  HG1#)
   (( segid "   A" and resid 14   and name  HB1 ))
      2.156     0.581     0.581 peak  3452 weight  1.00000E+00 volume  5.57054E+06 ppm1      0.856 ppm2      3.717

 ASSI { 3457}
   (  segid "   A" and resid 18   and name  HG2#)
   (( segid "   A" and resid 14   and name  HB1 ))
      2.111     0.557     0.557 peak  3457 weight  1.00000E+00 volume  6.32700E+06 ppm1      0.945 ppm2      3.674

 ASSI { 4247}
   (  segid "   A" and resid 18   and name  HG1#)
   (( segid "   A" and resid 14   and name  HN  ))
      2.486     0.773     0.773 peak  4247 weight  1.00000E+00 volume  2.36886E+06 ppm1      0.888 ppm2      7.567

 ASSI { 3458}
   (  segid "   A" and resid 18   and name  HG2#)
   (( segid "   A" and resid 15   and name  HB1 ))
      2.613     0.854     0.854 peak  3458 weight  1.00000E+00 volume  1.75700E+06 ppm1      0.945 ppm2      4.087

 ASSI { 2349}
   (  segid "   A" and resid 18   and name  HG2#)
   (( segid "   A" and resid 15   and name  HN  ))
      3.123     1.219     1.219 peak  2349 weight  1.00000E+00 volume  2.87000E+07 ppm1      8.460 ppm2      0.903

 ASSI {  676}
   (( segid "   A" and resid 18   and name  HN  ))
   (( segid "   A" and resid 16   and name  HA  ))
      2.712     0.919     0.919 peak   676 weight  1.00000E+00 volume  6.70229E+07 ppm1      8.390 ppm2      3.690

 ASSI { 1668}
   (( segid "   A" and resid 18   and name  HN  ))
   (( segid "   A" and resid 16   and name  HA  ))
      2.830     1.001     1.001 peak  1668 weight  1.00000E+00 volume  5.18920E+07 ppm1      8.385 ppm2      3.704
 OR { 1668}
   (( segid "   A" and resid 18   and name  HN  ))
   (( segid "   A" and resid 19   and name  HA  ))

 ASSI {  303}
   (( segid "   A" and resid 18   and name  HA  ))
   (( segid "   A" and resid 18   and name  HB  ))
      2.455     0.753     0.753 peak   303 weight  1.00000E+00 volume  2.55838E+06 ppm1      3.287 ppm2      2.091

 ASSI {  308}
   (  segid "   A" and resid 18   and name  HG1#)
   (( segid "   A" and resid 18   and name  HB  ))
      1.804     0.407     0.407 peak   308 weight  1.00000E+00 volume  1.62631E+07 ppm1      0.858 ppm2      2.115

 ASSI { 1032}
   (  segid "   A" and resid 18   and name  HG1#)
   (( segid "   A" and resid 18   and name  HN  ))
      2.288     0.655     0.655 peak  1032 weight  1.00000E+00 volume  1.85553E+08 ppm1      8.389 ppm2      0.852

 ASSI {  322}
   (  segid "   A" and resid 18   and name  HG2#)
   (( segid "   A" and resid 18   and name  HB  ))
      2.035     0.517     0.517 peak   322 weight  1.00000E+00 volume  7.89399E+06 ppm1      0.944 ppm2      2.120

 ASSI {  324}
   (  segid "   A" and resid 18   and name  HG2#)
   (( segid "   A" and resid 18   and name  HA  ))
      2.098     0.550     0.550 peak   324 weight  1.00000E+00 volume  6.55747E+06 ppm1      0.944 ppm2      3.295

 ASSI {  988}
   (  segid "   A" and resid 18   and name  HG2#)
   (( segid "   A" and resid 18   and name  HN  ))
      2.118     0.561     0.561 peak   988 weight  1.00000E+00 volume  2.95421E+08 ppm1      8.389 ppm2      0.924

 ASSI {  637}
   (( segid "   A" and resid 18   and name  HA  ))
   (( segid "   A" and resid 18   and name  HN  ))
      2.537     0.804     0.804 peak   637 weight  1.00000E+00 volume  9.99585E+07 ppm1      8.390 ppm2      3.259

 ASSI {   79}
   (( segid "   A" and resid 18   and name  HN  ))
   (( segid "   A" and resid 19   and name  HN  ))
      2.561     0.820     0.820 peak    79 weight  1.00000E+00 volume  9.17205E+07 ppm1      8.389 ppm2      7.751

 ASSI {  455}
   (( segid "   A" and resid 18   and name  HA  ))
   (( segid "   A" and resid 19   and name  HN  ))
      3.003     1.128     1.128 peak   455 weight  1.00000E+00 volume  3.62969E+07 ppm1      7.748 ppm2      3.262

 ASSI { 1033}
   (  segid "   A" and resid 18   and name  HG1#)
   (( segid "   A" and resid 19   and name  HN  ))
      2.435     0.741     0.741 peak  1033 weight  1.00000E+00 volume  1.27731E+08 ppm1      7.748 ppm2      0.845

 ASSI { 1034}
   (  segid "   A" and resid 18   and name  HG2#)
   (( segid "   A" and resid 19   and name  HN  ))
      2.694     0.907     0.907 peak  1034 weight  1.00000E+00 volume  6.96857E+07 ppm1      7.747 ppm2      0.925

 ASSI { 2359}
   (( segid "   A" and resid 18   and name  HA  ))
   (( segid "   A" and resid 20   and name  HN  ))
      3.228     1.302     1.302 peak  2359 weight  1.00000E+00 volume  2.35500E+07 ppm1      8.580 ppm2      3.268

 ASSI { 3451}
   (( segid "   A" and resid 18   and name  HA  ))
   (  segid "   A" and resid 21   and name  HG1#)
      2.017     0.509     0.509 peak  3451 weight  1.00000E+00 volume  8.30200E+06 ppm1      3.291 ppm2      0.905

 ASSI {  468}
   (  segid "   A" and resid 18   and name  HG1#)
   (( segid "   A" and resid 22   and name  HE1 ))
      2.237     0.625     0.625 peak   468 weight  1.00000E+00 volume  4.46996E+06 ppm1      2.859 ppm2      0.860

 ASSI {  310}
   (  segid "   A" and resid 18   and name  HG1#)
   (( segid "   A" and resid 22   and name  HE2 ))
      2.093     0.548     0.548 peak   310 weight  1.00000E+00 volume  3.68437E+06 ppm1      0.852 ppm2      2.793

 ASSI {  345}
   (  segid "   A" and resid 19   and name  HG2#)
   (  segid "   A" and resid 16   and name  HG2#)
      3.028     1.146     1.146 peak   345 weight  1.00000E+00 volume  7.25955E+05 ppm1      1.092 ppm2      0.172

 ASSI {  332}
   (( segid "   A" and resid 19   and name  HA  ))
   (  segid "   A" and resid 19   and name  HG2#)
      2.006     0.503     0.503 peak   332 weight  1.00000E+00 volume  4.41610E+06 ppm1      3.739 ppm2      1.102

 ASSI {  350}
   (  segid "   A" and resid 19   and name  HG2#)
   (( segid "   A" and resid 19   and name  HB  ))
      2.017     0.508     0.508 peak   350 weight  1.00000E+00 volume  8.32285E+06 ppm1      1.090 ppm2      4.252

 ASSI { 3462}
   (( segid "   A" and resid 19   and name  HA  ))
   (( segid "   A" and resid 19   and name  HB  ))
      2.409     0.726     0.726 peak  3462 weight  1.00000E+00 volume  2.86200E+06 ppm1      4.254 ppm2      3.727

 ASSI {  639}
   (( segid "   A" and resid 19   and name  HB  ))
   (( segid "   A" and resid 19   and name  HN  ))
      2.285     0.652     0.652 peak   639 weight  1.00000E+00 volume  1.87320E+08 ppm1      7.748 ppm2      4.232

 ASSI {  640}
   (( segid "   A" and resid 19   and name  HA  ))
   (( segid "   A" and resid 19   and name  HN  ))
      2.425     0.735     0.735 peak   640 weight  1.00000E+00 volume  1.31032E+08 ppm1      7.747 ppm2      3.714

 ASSI {  359}
   (( segid "   A" and resid 19   and name  HN  ))
   (( segid "   A" and resid 20   and name  HN  ))
      2.401     0.721     0.721 peak   359 weight  1.00000E+00 volume  1.19236E+08 ppm1      7.748 ppm2      8.573

 ASSI {  457}
   (( segid "   A" and resid 19   and name  HB  ))
   (( segid "   A" and resid 20   and name  HN  ))
      2.396     0.718     0.718 peak   457 weight  1.00000E+00 volume  1.40715E+08 ppm1      8.580 ppm2      4.233

 ASSI {  678}
   (( segid "   A" and resid 19   and name  HN  ))
   (  segid "   A" and resid 20   and name  HB# )
      3.075     1.182     1.182 peak   678 weight  1.00000E+00 volume  3.14954E+07 ppm1      7.750 ppm2      1.324

 ASSI { 1264}
   (( segid "   A" and resid 19   and name  HN  ))
   (( segid "   A" and resid 21   and name  HN  ))
      3.371     1.420     1.420 peak  1264 weight  1.00000E+00 volume  1.81690E+07 ppm1      7.746 ppm2      8.736

 ASSI { 3463}
   (  segid "   A" and resid 19   and name  HG2#)
   (  segid "   A" and resid 22   and name  HD# )
      2.630     0.865     0.865 peak  3463 weight  1.00000E+00 volume  1.69000E+06 ppm1      1.089 ppm2      1.590

 ASSI {  347}
   (  segid "   A" and resid 19   and name  HG2#)
   (( segid "   A" and resid 23   and name  HB  ))
      2.478     0.768     0.768 peak   347 weight  1.00000E+00 volume  2.41558E+06 ppm1      1.092 ppm2      2.059

 ASSI { 3520}
   (( segid "   A" and resid 19   and name  HB  ))
   (  segid "   A" and resid 23   and name  HG1#)
      2.963     1.097     1.097 peak  3520 weight  1.00000E+00 volume  8.28128E+05 ppm1      1.083 ppm2      4.239

 ASSI {  358}
   (( segid "   A" and resid 20   and name  HA  ))
   (  segid "   A" and resid 20   and name  HB# )
      1.986     0.493     0.493 peak   358 weight  1.00000E+00 volume  5.21982E+06 ppm1      3.812 ppm2      1.341

 ASSI {  642}
   (( segid "   A" and resid 20   and name  HA  ))
   (( segid "   A" and resid 20   and name  HN  ))
      2.447     0.748     0.748 peak   642 weight  1.00000E+00 volume  1.24223E+08 ppm1      8.580 ppm2      3.717

 ASSI {  643}
   (  segid "   A" and resid 20   and name  HB# )
   (( segid "   A" and resid 20   and name  HN  ))
      2.074     0.537     0.537 peak   643 weight  1.00000E+00 volume  2.74129E+08 ppm1      8.581 ppm2      1.320

 ASSI { 3469}
   (( segid "   A" and resid 20   and name  HA  ))
   (( segid "   A" and resid 21   and name  HN  ))
      2.669     0.891     0.891 peak  3469 weight  1.00000E+00 volume  1.54800E+06 ppm1      3.818 ppm2      8.719

 ASSI { 3479}
   (  segid "   A" and resid 20   and name  HB# )
   (( segid "   A" and resid 21   and name  HN  ))
      2.285     0.652     0.652 peak  3479 weight  1.00000E+00 volume  3.93700E+06 ppm1      1.344 ppm2      8.715

 ASSI {  153}
   (( segid "   A" and resid 20   and name  HN  ))
   (( segid "   A" and resid 21   and name  HN  ))
      2.520     0.794     0.794 peak   153 weight  1.00000E+00 volume  5.85136E+07 ppm1      8.756 ppm2      8.586

 ASSI { 2364}
   (( segid "   A" and resid 20   and name  HA  ))
   (( segid "   A" and resid 23   and name  HN  ))
      2.643     0.873     0.873 peak  2364 weight  1.00000E+00 volume  7.81100E+07 ppm1      8.514 ppm2      3.788

 ASSI { 2378}
   (( segid "   A" and resid 20   and name  HA  ))
   (( segid "   A" and resid 24   and name  HN  ))
      3.059     1.170     1.170 peak  2378 weight  1.00000E+00 volume  3.25100E+07 ppm1      8.176 ppm2      3.783

 ASSI {  370}
   (  segid "   A" and resid 20   and name  HB# )
   (  segid "   A" and resid 64   and name  HD1#)
      1.767     0.390     0.390 peak   370 weight  1.00000E+00 volume  1.83633E+07 ppm1      1.345 ppm2      0.881

 ASSI { 1388}
   (( segid "   A" and resid 20   and name  HA  ))
   (  segid "   A" and resid 64   and name  HD1#)
      2.108     0.555     0.555 peak  1388 weight  1.00000E+00 volume  6.37963E+06 ppm1      0.899 ppm2      3.806
 OR { 1388}
   (( segid "   A" and resid 55   and name  HA  ))
   (  segid "   A" and resid 58   and name  HG1#)

 ASSI { 3466}
   (( segid "   A" and resid 20   and name  HA  ))
   (  segid "   A" and resid 64   and name  HD1#)
      2.092     0.547     0.547 peak  3466 weight  1.00000E+00 volume  6.68300E+06 ppm1      3.813 ppm2      0.887

 ASSI {  369}
   (  segid "   A" and resid 20   and name  HB# )
   (  segid "   A" and resid 68   and name  HD1#)
      1.935     0.468     0.468 peak   369 weight  1.00000E+00 volume  1.06507E+07 ppm1      1.346 ppm2      0.644

 ASSI {  372}
   (  segid "   A" and resid 20   and name  HB# )
   (( segid "   A" and resid 68   and name  HG  ))
      2.399     0.719     0.719 peak   372 weight  1.00000E+00 volume  2.93729E+06 ppm1      1.348 ppm2      1.854

 ASSI { 1550}
   (( segid "   A" and resid 20   and name  HA  ))
   (  segid "   A" and resid 68   and name  HD1#)
      2.581     0.833     0.833 peak  1550 weight  1.00000E+00 volume  1.09865E+06 ppm1      0.649 ppm2      3.796

 ASSI { 3726}
   (  segid "   A" and resid 20   and name  HB# )
   (  segid "   A" and resid 68   and name  HD2#)
      2.100     0.551     0.551 peak  3726 weight  1.00000E+00 volume  6.53500E+06 ppm1      0.622 ppm2      1.332

 ASSI {  391}
   (( segid "   A" and resid 21   and name  HA  ))
   (( segid "   A" and resid 21   and name  HB  ))
      2.556     0.817     0.817 peak   391 weight  1.00000E+00 volume  2.00739E+06 ppm1      3.366 ppm2      2.056

 ASSI {  408}
   (( segid "   A" and resid 21   and name  HA  ))
   (  segid "   A" and resid 21   and name  HG2#)
      2.152     0.579     0.579 peak   408 weight  1.00000E+00 volume  5.63798E+06 ppm1      0.711 ppm2      3.342

 ASSI {  397}
   (  segid "   A" and resid 21   and name  HG2#)
   (( segid "   A" and resid 21   and name  HB  ))
      1.987     0.493     0.493 peak   397 weight  1.00000E+00 volume  4.91378E+06 ppm1      2.084 ppm2      0.717

 ASSI {  421}
   (  segid "   A" and resid 21   and name  HG1#)
   (( segid "   A" and resid 21   and name  HN  ))
      2.223     0.618     0.618 peak   421 weight  1.00000E+00 volume  4.63906E+06 ppm1      0.891 ppm2      8.703

 ASSI {  396}
   (  segid "   A" and resid 21   and name  HG1#)
   (( segid "   A" and resid 21   and name  HB  ))
      1.836     0.422     0.422 peak   396 weight  1.00000E+00 volume  1.35669E+07 ppm1      2.082 ppm2      0.899

 ASSI { 1036}
   (( segid "   A" and resid 21   and name  HA  ))
   (( segid "   A" and resid 21   and name  HN  ))
      2.746     0.942     0.942 peak  1036 weight  1.00000E+00 volume  6.21972E+07 ppm1      8.757 ppm2      3.345

 ASSI { 1037}
   (( segid "   A" and resid 21   and name  HB  ))
   (( segid "   A" and resid 21   and name  HN  ))
      2.524     0.796     0.796 peak  1037 weight  1.00000E+00 volume  1.03128E+08 ppm1      8.758 ppm2      2.058

 ASSI {  407}
   (  segid "   A" and resid 21   and name  HG2#)
   (( segid "   A" and resid 22   and name  HA  ))
      2.375     0.705     0.705 peak   407 weight  1.00000E+00 volume  1.40022E+06 ppm1      0.712 ppm2      4.052

 ASSI { 3483}
   (  segid "   A" and resid 21   and name  HG2#)
   (( segid "   A" and resid 22   and name  HN  ))
      2.710     0.918     0.918 peak  3483 weight  1.00000E+00 volume  1.41400E+06 ppm1      0.706 ppm2      7.772

 ASSI { 1042}
   (  segid "   A" and resid 21   and name  HG1#)
   (( segid "   A" and resid 22   and name  HN  ))
      2.439     0.744     0.744 peak  1042 weight  1.00000E+00 volume  4.21849E+07 ppm1      7.769 ppm2      0.866

 ASSI {  154}
   (( segid "   A" and resid 21   and name  HN  ))
   (( segid "   A" and resid 22   and name  HN  ))
      2.773     0.961     0.961 peak   154 weight  1.00000E+00 volume  5.85814E+07 ppm1      8.758 ppm2      7.760

 ASSI {  366}
   (( segid "   A" and resid 21   and name  HN  ))
   (( segid "   A" and resid 23   and name  HN  ))
      3.102     1.203     1.203 peak   366 weight  1.00000E+00 volume  2.99182E+07 ppm1      8.511 ppm2      8.733

 ASSI { 1043}
   (  segid "   A" and resid 21   and name  HG2#)
   (( segid "   A" and resid 23   and name  HN  ))
      3.316     1.375     1.375 peak  1043 weight  1.00000E+00 volume  2.00265E+07 ppm1      8.515 ppm2      0.695

 ASSI { 2365}
   (( segid "   A" and resid 21   and name  HA  ))
   (( segid "   A" and resid 23   and name  HN  ))
      3.297     1.359     1.359 peak  2365 weight  1.00000E+00 volume  2.07500E+07 ppm1      8.513 ppm2      3.349

 ASSI {  553}
   (( segid "   A" and resid 21   and name  HA  ))
   (  segid "   A" and resid 24   and name  HB# )
      2.188     0.598     0.598 peak   553 weight  1.00000E+00 volume  2.66228E+06 ppm1      1.284 ppm2      3.355

 ASSI { 2377}
   (( segid "   A" and resid 21   and name  HA  ))
   (( segid "   A" and resid 24   and name  HN  ))
      3.040     1.156     1.156 peak  2377 weight  1.00000E+00 volume  3.37200E+07 ppm1      8.176 ppm2      3.348

 ASSI { 1061}
   (  segid "   A" and resid 21   and name  HG2#)
   (( segid "   A" and resid 25   and name  HN  ))
      3.220     1.296     1.296 peak  1061 weight  1.00000E+00 volume  2.39061E+07 ppm1      7.893 ppm2      0.736

 ASSI {  390}
   (( segid "   A" and resid 21   and name  HA  ))
   (( segid "   A" and resid 26   and name  HB2 ))
      2.383     0.710     0.710 peak   390 weight  1.00000E+00 volume  3.05918E+06 ppm1      3.370 ppm2      1.647

 ASSI {  406}
   (  segid "   A" and resid 21   and name  HG2#)
   (( segid "   A" and resid 26   and name  HA  ))
      2.722     0.926     0.926 peak   406 weight  1.00000E+00 volume  1.37564E+06 ppm1      0.712 ppm2      4.639

 ASSI { 3484}
   (  segid "   A" and resid 21   and name  HG2#)
   (( segid "   A" and resid 27   and name  HN  ))
      2.488     0.774     0.774 peak  3484 weight  1.00000E+00 volume  2.35900E+06 ppm1      0.713 ppm2      7.536

 ASSI { 2391}
   (( segid "   A" and resid 21   and name  HA  ))
   (( segid "   A" and resid 27   and name  HN  ))
      3.357     1.408     1.408 peak  2391 weight  1.00000E+00 volume  1.86200E+07 ppm1      7.514 ppm2      3.313

 ASSI {  413}
   (  segid "   A" and resid 21   and name  HG2#)
   (( segid "   A" and resid 30   and name  HG  ))
      2.272     0.645     0.645 peak   413 weight  1.00000E+00 volume  4.07051E+06 ppm1      0.711 ppm2      1.527

 ASSI {  392}
   (( segid "   A" and resid 21   and name  HA  ))
   (( segid "   A" and resid 65   and name  HA2 ))
      2.858     1.021     1.021 peak   392 weight  1.00000E+00 volume  1.02782E+06 ppm1      3.366 ppm2      3.595

 ASSI { 1401}
   (  segid "   A" and resid 21   and name  HG2#)
   (( segid "   A" and resid 65   and name  HA2 ))
      2.549     0.812     0.812 peak  1401 weight  1.00000E+00 volume  2.03908E+06 ppm1      3.579 ppm2      0.698

 ASSI {  471}
   (( segid "   A" and resid 22   and name  HE1 ))
   (  segid "   A" and resid 19   and name  HG2#)
      2.800     0.980     0.980 peak   471 weight  1.00000E+00 volume  1.16209E+06 ppm1      2.862 ppm2      1.059

 ASSI { 3461}
   (( segid "   A" and resid 22   and name  HB2 ))
   (( segid "   A" and resid 19   and name  HA  ))
      2.327     0.677     0.677 peak  3461 weight  1.00000E+00 volume  3.52600E+06 ppm1      3.743 ppm2      1.925

 ASSI { 3496}
   (( segid "   A" and resid 22   and name  HB2 ))
   (  segid "   A" and resid 19   and name  HG2#)
      2.503     0.783     0.783 peak  3496 weight  1.00000E+00 volume  2.27600E+06 ppm1      1.915 ppm2      1.088

 ASSI { 3497}
   (( segid "   A" and resid 22   and name  HB1 ))
   (  segid "   A" and resid 19   and name  HG2#)
      2.428     0.737     0.737 peak  3497 weight  1.00000E+00 volume  2.73300E+06 ppm1      1.987 ppm2      1.090

 ASSI { 3501}
   (( segid "   A" and resid 22   and name  HE2 ))
   (  segid "   A" and resid 19   and name  HG2#)
      2.411     0.726     0.726 peak  3501 weight  1.00000E+00 volume  2.85300E+06 ppm1      2.775 ppm2      1.061

 ASSI { 1268}
   (( segid "   A" and resid 22   and name  HB2 ))
   (( segid "   A" and resid 20   and name  HN  ))
      3.299     1.360     1.360 peak  1268 weight  1.00000E+00 volume  2.06710E+07 ppm1      8.580 ppm2      1.922

 ASSI { 2374}
   (( segid "   A" and resid 22   and name  HB2 ))
   (( segid "   A" and resid 21   and name  HN  ))
      3.308     1.368     1.368 peak  2374 weight  1.00000E+00 volume  2.03300E+07 ppm1      8.761 ppm2      1.953

 ASSI {  435}
   (( segid "   A" and resid 22   and name  HG2 ))
   (( segid "   A" and resid 22   and name  HA  ))
      2.325     0.676     0.676 peak   435 weight  1.00000E+00 volume  3.54295E+06 ppm1      4.053 ppm2      1.281

 ASSI {  645}
   (( segid "   A" and resid 22   and name  HB1 ))
   (( segid "   A" and resid 22   and name  HN  ))
      2.593     0.841     0.841 peak   645 weight  1.00000E+00 volume  5.27965E+07 ppm1      7.775 ppm2      2.007

 ASSI {  448}
   (( segid "   A" and resid 22   and name  HB1 ))
   (  segid "   A" and resid 22   and name  HD# )
      2.067     0.534     0.534 peak   448 weight  1.00000E+00 volume  7.17363E+06 ppm1      1.987 ppm2      1.625

 ASSI {  449}
   (( segid "   A" and resid 22   and name  HB1 ))
   (( segid "   A" and resid 22   and name  HG2 ))
      2.493     0.777     0.777 peak   449 weight  1.00000E+00 volume  2.33197E+06 ppm1      1.990 ppm2      1.305

 ASSI {  455}
   (( segid "   A" and resid 22   and name  HE2 ))
   (  segid "   A" and resid 22   and name  HD# )
      1.907     0.454     0.454 peak   455 weight  1.00000E+00 volume  8.30463E+06 ppm1      1.602 ppm2      2.788

 ASSI {  472}
   (( segid "   A" and resid 22   and name  HG2 ))
   (( segid "   A" and resid 22   and name  HE1 ))
      2.365     0.699     0.699 peak   472 weight  1.00000E+00 volume  3.19718E+06 ppm1      2.859 ppm2      1.290

 ASSI {  474}
   (( segid "   A" and resid 22   and name  HE1 ))
   (  segid "   A" and resid 22   and name  HD# )
      2.004     0.502     0.502 peak   474 weight  1.00000E+00 volume  8.64769E+06 ppm1      2.861 ppm2      1.615

 ASSI {  477}
   (( segid "   A" and resid 22   and name  HB1 ))
   (( segid "   A" and resid 22   and name  HE2 ))
      2.321     0.674     0.674 peak   477 weight  1.00000E+00 volume  3.57700E+06 ppm1      2.777 ppm2      1.978

 ASSI {  488}
   (( segid "   A" and resid 22   and name  HG2 ))
   (( segid "   A" and resid 22   and name  HG1 ))
      2.013     0.507     0.507 peak   488 weight  1.00000E+00 volume  8.40702E+06 ppm1      1.600 ppm2      1.289

 ASSI {  490}
   (( segid "   A" and resid 22   and name  HG2 ))
   (  segid "   A" and resid 22   and name  HD# )
      1.844     0.425     0.425 peak   490 weight  1.00000E+00 volume  1.42201E+07 ppm1      1.287 ppm2      1.600

 ASSI {  496}
   (( segid "   A" and resid 22   and name  HG1 ))
   (( segid "   A" and resid 22   and name  HE2 ))
      2.734     0.934     0.934 peak   496 weight  1.00000E+00 volume  1.34064E+06 ppm1      1.605 ppm2      2.802

 ASSI {  473}
   (( segid "   A" and resid 22   and name  HG2 ))
   (( segid "   A" and resid 22   and name  HE2 ))
      2.521     0.795     0.795 peak   473 weight  1.00000E+00 volume  2.17965E+06 ppm1      2.774 ppm2      1.291

 ASSI {  434}
   (( segid "   A" and resid 22   and name  HG1 ))
   (( segid "   A" and resid 22   and name  HA  ))
      2.274     0.646     0.646 peak   434 weight  1.00000E+00 volume  4.04969E+06 ppm1      4.052 ppm2      1.589

 ASSI { 3504}
   (( segid "   A" and resid 22   and name  HB2 ))
   (( segid "   A" and resid 22   and name  HG1 ))
      2.255     0.635     0.635 peak  3504 weight  1.00000E+00 volume  4.26100E+06 ppm1      1.601 ppm2      1.944

 ASSI {  233}
   (( segid "   A" and resid 22   and name  HB2 ))
   (( segid "   A" and resid 22   and name  HG2 ))
      2.324     0.675     0.675 peak   233 weight  1.00000E+00 volume  3.54911E+06 ppm1      1.915 ppm2      1.307

 ASSI { 1273}
   (( segid "   A" and resid 22   and name  HG2 ))
   (( segid "   A" and resid 22   and name  HN  ))
      2.797     0.978     0.978 peak  1273 weight  1.00000E+00 volume  2.41565E+07 ppm1      7.767 ppm2      1.262

 ASSI { 1274}
   (( segid "   A" and resid 22   and name  HG1 ))
   (( segid "   A" and resid 22   and name  HN  ))
      2.904     1.054     1.054 peak  1274 weight  1.00000E+00 volume  4.28183E+07 ppm1      7.767 ppm2      1.574

 ASSI { 1278}
   (( segid "   A" and resid 22   and name  HA  ))
   (( segid "   A" and resid 22   and name  HN  ))
      2.706     0.915     0.915 peak  1278 weight  1.00000E+00 volume  2.54786E+07 ppm1      7.769 ppm2      4.051

 ASSI { 3495}
   (( segid "   A" and resid 22   and name  HB1 ))
   (( segid "   A" and resid 23   and name  HN  ))
      2.566     0.823     0.823 peak  3495 weight  1.00000E+00 volume  1.96300E+06 ppm1      1.987 ppm2      8.515

 ASSI { 3521}
   (( segid "   A" and resid 22   and name  HN  ))
   (  segid "   A" and resid 23   and name  HG1#)
      2.722     0.926     0.926 peak  3521 weight  1.00000E+00 volume  1.37501E+06 ppm1      1.086 ppm2      7.768

 ASSI {  367}
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 23   and name  HN  ))
      2.457     0.754     0.754 peak   367 weight  1.00000E+00 volume  1.21144E+08 ppm1      8.514 ppm2      7.767

 ASSI {  462}
   (( segid "   A" and resid 22   and name  HA  ))
   (( segid "   A" and resid 23   and name  HN  ))
      2.729     0.931     0.931 peak   462 weight  1.00000E+00 volume  6.44418E+07 ppm1      8.514 ppm2      4.049

 ASSI { 1282}
   (( segid "   A" and resid 22   and name  HB2 ))
   (( segid "   A" and resid 23   and name  HN  ))
      2.327     0.677     0.677 peak  1282 weight  1.00000E+00 volume  1.67713E+08 ppm1      8.514 ppm2      1.931

 ASSI { 2380}
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 24   and name  HN  ))
      3.209     1.287     1.287 peak  2380 weight  1.00000E+00 volume  2.44100E+07 ppm1      8.178 ppm2      7.761

 ASSI { 2395}
   (( segid "   A" and resid 22   and name  HA  ))
   (( segid "   A" and resid 24   and name  HN  ))
      3.125     1.221     1.221 peak  2395 weight  1.00000E+00 volume  2.86000E+07 ppm1      8.163 ppm2      4.027

 ASSI {  493}
   (( segid "   A" and resid 22   and name  HG1 ))
   (  segid "   A" and resid 27   and name  HG2#)
      1.712     0.366     0.366 peak   493 weight  1.00000E+00 volume  3.95744E+06 ppm1      1.601 ppm2      0.893

 ASSI {  642}
   (( segid "   A" and resid 22   and name  HG2 ))
   (  segid "   A" and resid 27   and name  HG2#)
      1.835     0.421     0.421 peak   642 weight  1.00000E+00 volume  1.46732E+07 ppm1      0.897 ppm2      1.298

 ASSI { 3491}
   (( segid "   A" and resid 22   and name  HA  ))
   (( segid "   A" and resid 27   and name  HB  ))
      2.236     0.625     0.625 peak  3491 weight  1.00000E+00 volume  4.47600E+06 ppm1      4.057 ppm2      1.943

 ASSI {  631}
   (( segid "   A" and resid 22   and name  HA  ))
   (  segid "   A" and resid 27   and name  HG2#)
      1.986     0.493     0.493 peak   631 weight  1.00000E+00 volume  9.13185E+06 ppm1      0.896 ppm2      4.070

 ASSI { 3544}
   (( segid "   A" and resid 22   and name  HN  ))
   (  segid "   A" and resid 27   and name  HG2#)
      2.459     0.756     0.756 peak  3544 weight  1.00000E+00 volume  2.53200E+06 ppm1      0.895 ppm2      7.753

 ASSI { 2390}
   (( segid "   A" and resid 22   and name  HA  ))
   (( segid "   A" and resid 27   and name  HN  ))
      2.974     1.105     1.105 peak  2390 weight  1.00000E+00 volume  3.85200E+07 ppm1      7.513 ppm2      4.050

 ASSI {  510}
   (( segid "   A" and resid 23   and name  HB  ))
   (  segid "   A" and resid 23   and name  HG# )
      2.055     0.528     0.528 peak   510 weight  1.00000E+00 volume  7.42993E+06 ppm1      2.043 ppm2      1.049

 ASSI {  517}
   (( segid "   A" and resid 23   and name  HB  ))
   (  segid "   A" and resid 23   and name  HG2#)
      1.867     0.436     0.436 peak   517 weight  1.00000E+00 volume  1.32328E+07 ppm1      1.008 ppm2      2.047

 ASSI {  522}
   (  segid "   A" and resid 23   and name  HG2#)
   (( segid "   A" and resid 23   and name  HA  ))
      1.849     0.427     0.427 peak   522 weight  1.00000E+00 volume  1.40310E+07 ppm1      1.008 ppm2      3.686

 ASSI {  533}
   (( segid "   A" and resid 23   and name  HB  ))
   (  segid "   A" and resid 23   and name  HG1#)
      1.926     0.464     0.464 peak   533 weight  1.00000E+00 volume  1.09567E+07 ppm1      1.088 ppm2      2.031

 ASSI { 1206}
   (( segid "   A" and resid 23   and name  HB  ))
   (( segid "   A" and resid 23   and name  HA  ))
      2.483     0.771     0.771 peak  1206 weight  1.00000E+00 volume  2.38800E+06 ppm1      3.660 ppm2      2.072

 ASSI {  647}
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 23   and name  HA  ))
      2.314     0.669     0.669 peak   647 weight  1.00000E+00 volume  1.73693E+08 ppm1      8.514 ppm2      3.653

 ASSI {  909}
   (  segid "   A" and resid 23   and name  HG1#)
   (( segid "   A" and resid 23   and name  HN  ))
      2.028     0.514     0.514 peak   909 weight  1.00000E+00 volume  3.18372E+08 ppm1      8.515 ppm2      1.080

 ASSI { 1283}
   (( segid "   A" and resid 23   and name  HB  ))
   (( segid "   A" and resid 23   and name  HN  ))
      2.124     0.564     0.564 peak  1283 weight  1.00000E+00 volume  2.89871E+08 ppm1      8.515 ppm2      2.038

 ASSI { 3516}
   (  segid "   A" and resid 23   and name  HG1#)
   (  segid "   A" and resid 24   and name  HB# )
      2.124     0.564     0.564 peak  3516 weight  1.00000E+00 volume  6.10100E+06 ppm1      1.089 ppm2      1.268

 ASSI {  143}
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 24   and name  HN  ))
      2.460     0.757     0.757 peak   143 weight  1.00000E+00 volume  1.20071E+08 ppm1      8.515 ppm2      8.172

 ASSI {  463}
   (( segid "   A" and resid 23   and name  HA  ))
   (( segid "   A" and resid 24   and name  HN  ))
      2.709     0.917     0.917 peak   463 weight  1.00000E+00 volume  6.74053E+07 ppm1      8.177 ppm2      3.652

 ASSI {  908}
   (  segid "   A" and resid 23   and name  HG1#)
   (( segid "   A" and resid 24   and name  HN  ))
      2.570     0.826     0.826 peak   908 weight  1.00000E+00 volume  9.24084E+07 ppm1      8.176 ppm2      1.076

 ASSI {  912}
   (  segid "   A" and resid 23   and name  HG2#)
   (( segid "   A" and resid 25   and name  HN  ))
      3.197     1.278     1.278 peak   912 weight  1.00000E+00 volume  2.49525E+07 ppm1      7.889 ppm2      1.042

 ASSI { 1320}
   (( segid "   A" and resid 23   and name  HA  ))
   (( segid "   A" and resid 25   and name  HN  ))
      3.105     1.205     1.205 peak  1320 weight  1.00000E+00 volume  2.97117E+07 ppm1      7.894 ppm2      3.650

 ASSI {  547}
   (( segid "   A" and resid 24   and name  HA  ))
   (( segid "   A" and resid 24   and name  HN  ))
      2.408     0.725     0.725 peak   547 weight  1.00000E+00 volume  2.87512E+06 ppm1      4.168 ppm2      8.164

 ASSI {  545}
   (( segid "   A" and resid 24   and name  HA  ))
   (  segid "   A" and resid 24   and name  HB# )
      1.772     0.392     0.392 peak   545 weight  1.00000E+00 volume  1.19903E+07 ppm1      4.166 ppm2      1.284

 ASSI {  650}
   (  segid "   A" and resid 24   and name  HB# )
   (( segid "   A" and resid 24   and name  HN  ))
      2.109     0.556     0.556 peak   650 weight  1.00000E+00 volume  2.52374E+08 ppm1      8.178 ppm2      1.260

 ASSI { 3528}
   (  segid "   A" and resid 24   and name  HB# )
   (( segid "   A" and resid 25   and name  HB2 ))
      3.228     1.302     1.302 peak  3528 weight  1.00000E+00 volume  4.95000E+05 ppm1      3.234 ppm2      1.294

 ASSI {  146}
   (( segid "   A" and resid 24   and name  HN  ))
   (( segid "   A" and resid 25   and name  HN  ))
      2.483     0.770     0.770 peak   146 weight  1.00000E+00 volume  1.03713E+08 ppm1      8.178 ppm2      7.897

 ASSI {  465}
   (( segid "   A" and resid 24   and name  HA  ))
   (( segid "   A" and resid 25   and name  HN  ))
      2.721     0.925     0.925 peak   465 weight  1.00000E+00 volume  6.56913E+07 ppm1      7.891 ppm2      4.147

 ASSI {  466}
   (  segid "   A" and resid 24   and name  HB# )
   (( segid "   A" and resid 25   and name  HN  ))
      2.517     0.792     0.792 peak   466 weight  1.00000E+00 volume  8.42754E+07 ppm1      7.894 ppm2      1.266

 ASSI { 3527}
   (  segid "   A" and resid 24   and name  HB# )
   (( segid "   A" and resid 26   and name  HN  ))
      2.402     0.721     0.721 peak  3527 weight  1.00000E+00 volume  2.91200E+06 ppm1      1.281 ppm2      8.350

 ASSI { 3536}
   (  segid "   A" and resid 24   and name  HB# )
   (  segid "   A" and resid 26   and name  HD1#)
      1.886     0.445     0.445 peak  3536 weight  1.00000E+00 volume  1.24400E+07 ppm1      0.800 ppm2      1.287

 ASSI { 1319}
   (( segid "   A" and resid 24   and name  HN  ))
   (( segid "   A" and resid 26   and name  HN  ))
      2.897     1.049     1.049 peak  1319 weight  1.00000E+00 volume  4.50467E+07 ppm1      8.179 ppm2      8.349

 ASSI { 3523}
   (( segid "   A" and resid 24   and name  HA  ))
   (( segid "   A" and resid 62   and name  HA  ))
      2.771     0.960     0.960 peak  3523 weight  1.00000E+00 volume  1.23600E+06 ppm1      4.166 ppm2      4.375

 ASSI { 4117}
   (  segid "   A" and resid 24   and name  HB# )
   (( segid "   A" and resid 62   and name  HB2 ))
      3.018     1.138     1.138 peak  4117 weight  1.00000E+00 volume  7.41400E+05 ppm1      1.280 ppm2      2.431

 ASSI { 3526}
   (  segid "   A" and resid 24   and name  HB# )
   (( segid "   A" and resid 64   and name  HB2 ))
      2.347     0.689     0.689 peak  3526 weight  1.00000E+00 volume  3.34900E+06 ppm1      1.281 ppm2      1.895

 ASSI { 2535}
   (  segid "   A" and resid 24   and name  HB# )
   (( segid "   A" and resid 64   and name  HN  ))
      3.035     1.151     1.151 peak  2535 weight  1.00000E+00 volume  3.40800E+07 ppm1      7.898 ppm2      1.272

 ASSI { 2321}
   (  segid "   A" and resid 24   and name  HB# )
   (( segid "   A" and resid 65   and name  HN  ))
      2.639     0.871     0.871 peak  2321 weight  1.00000E+00 volume  7.87900E+07 ppm1      8.989 ppm2      1.261

 ASSI {  564}
   (( segid "   A" and resid 25   and name  HB2 ))
   (( segid "   A" and resid 25   and name  HB1 ))
      1.739     0.378     0.378 peak   564 weight  1.00000E+00 volume  2.02572E+07 ppm1      3.234 ppm2      2.764

 ASSI {  569}
   (( segid "   A" and resid 25   and name  HB2 ))
   (( segid "   A" and resid 25   and name  HA  ))
      2.175     0.591     0.591 peak   569 weight  1.00000E+00 volume  5.29177E+06 ppm1      3.232 ppm2      4.634

 ASSI {  570}
   (( segid "   A" and resid 25   and name  HB1 ))
   (( segid "   A" and resid 25   and name  HA  ))
      2.179     0.594     0.594 peak   570 weight  1.00000E+00 volume  5.22303E+06 ppm1      2.766 ppm2      4.633

 ASSI { 2383}
   (( segid "   A" and resid 25   and name  HB2 ))
   (( segid "   A" and resid 25   and name  HD21))
      2.872     1.031     1.031 peak  2383 weight  1.00000E+00 volume  4.74500E+07 ppm1      7.512 ppm2      3.206

 ASSI { 2384}
   (( segid "   A" and resid 25   and name  HB1 ))
   (( segid "   A" and resid 25   and name  HD21))
      2.656     0.882     0.882 peak  2384 weight  1.00000E+00 volume  5.65600E+07 ppm1      7.514 ppm2      2.756

 ASSI {  682}
   (( segid "   A" and resid 25   and name  HN  ))
   (( segid "   A" and resid 25   and name  HA  ))
      2.021     0.510     0.510 peak   682 weight  1.00000E+00 volume  3.91319E+08 ppm1      7.893 ppm2      4.620

 ASSI { 1051}
   (( segid "   A" and resid 25   and name  HN  ))
   (( segid "   A" and resid 25   and name  HB2 ))
      2.606     0.849     0.849 peak  1051 weight  1.00000E+00 volume  6.46396E+07 ppm1      7.892 ppm2      3.206

 ASSI { 1325}
   (( segid "   A" and resid 25   and name  HB1 ))
   (( segid "   A" and resid 25   and name  HD22))
      2.716     0.922     0.922 peak  1325 weight  1.00000E+00 volume  6.63691E+07 ppm1      6.837 ppm2      2.760

 ASSI { 2382}
   (( segid "   A" and resid 25   and name  HD21))
   (( segid "   A" and resid 25   and name  HD22))
      1.979     0.490     0.490 peak  2382 weight  1.00000E+00 volume  4.43500E+08 ppm1      7.513 ppm2      6.849

 ASSI {  120}
   (( segid "   A" and resid 25   and name  HN  ))
   (( segid "   A" and resid 26   and name  HN  ))
      2.465     0.759     0.759 peak   120 weight  1.00000E+00 volume  5.18513E+07 ppm1      8.380 ppm2      7.893

 ASSI { 1671}
   (( segid "   A" and resid 25   and name  HB1 ))
   (( segid "   A" and resid 26   and name  HN  ))
      3.315     1.374     1.374 peak  1671 weight  1.00000E+00 volume  2.00595E+07 ppm1      8.380 ppm2      2.743

 ASSI { 2352}
   (( segid "   A" and resid 25   and name  HA  ))
   (( segid "   A" and resid 26   and name  HN  ))
      2.829     1.000     1.000 peak  2352 weight  1.00000E+00 volume  5.20200E+07 ppm1      8.382 ppm2      4.646

 ASSI {  467}
   (( segid "   A" and resid 25   and name  HA  ))
   (( segid "   A" and resid 27   and name  HN  ))
      2.447     0.748     0.748 peak   467 weight  1.00000E+00 volume  1.24104E+08 ppm1      7.513 ppm2      4.629

 ASSI { 2389}
   (( segid "   A" and resid 25   and name  HN  ))
   (( segid "   A" and resid 27   and name  HN  ))
      3.067     1.176     1.176 peak  2389 weight  1.00000E+00 volume  3.20100E+07 ppm1      7.513 ppm2      7.880

 ASSI { 2393}
   (( segid "   A" and resid 25   and name  HB1 ))
   (( segid "   A" and resid 27   and name  HN  ))
      3.755     1.763     1.763 peak  2393 weight  1.00000E+00 volume  9.50000E+06 ppm1      7.515 ppm2      2.749

 ASSI { 1329}
   (( segid "   A" and resid 25   and name  HD22))
   (( segid "   A" and resid 28   and name  HG2 ))
      2.775     0.963     0.963 peak  1329 weight  1.00000E+00 volume  5.82977E+07 ppm1      6.821 ppm2      2.256
 OR { 1329}
   (( segid "   A" and resid 25   and name  HD22))
   (( segid "   A" and resid 92   and name  HB1 ))

 ASSI { 1335}
   (( segid "   A" and resid 25   and name  HD21))
   (  segid "   A" and resid 28   and name  HG# )
      2.574     0.828     0.828 peak  1335 weight  1.00000E+00 volume  9.16100E+07 ppm1      7.470 ppm2      2.255

 ASSI { 1735}
   (( segid "   A" and resid 25   and name  HN  ))
   (( segid "   A" and resid 62   and name  HB2 ))
      3.340     1.395     1.395 peak  1735 weight  1.00000E+00 volume  1.91790E+07 ppm1      7.924 ppm2      2.397
 OR { 1735}
   (( segid "   A" and resid 36   and name  HB2 ))
   (( segid "   A" and resid 75   and name  HN  ))

 ASSI { 1330}
   (( segid "   A" and resid 25   and name  HD22))
   (( segid "   A" and resid 92   and name  HB1 ))
      2.954     1.091     1.091 peak  1330 weight  1.00000E+00 volume  4.00959E+07 ppm1      6.804 ppm2      2.163
 OR { 1330}
   (( segid "   A" and resid 25   and name  HD22))
   (( segid "   A" and resid 62   and name  HG2 ))

 ASSI { 2867}
   (( segid "   A" and resid 25   and name  HD22))
   (( segid "   A" and resid 92   and name  HB1 ))
      2.593     0.840     0.840 peak  2867 weight  1.00000E+00 volume  8.76653E+07 ppm1      6.841 ppm2      2.603
 OR { 2867}
   (( segid "   A" and resid 60   and name  HB1 ))
   (( segid "   A" and resid 60   and name  HD22))

 ASSI {  577}
   (( segid "   A" and resid 26   and name  HB2 ))
   (( segid "   A" and resid 26   and name  HB1 ))
      2.197     0.604     0.604 peak   577 weight  1.00000E+00 volume  4.41870E+06 ppm1      1.713 ppm2      1.313

 ASSI {  579}
   (( segid "   A" and resid 26   and name  HB2 ))
   (  segid "   A" and resid 26   and name  HD2#)
      2.223     0.618     0.618 peak   579 weight  1.00000E+00 volume  4.63896E+06 ppm1      1.713 ppm2      0.754

 ASSI {  580}
   (( segid "   A" and resid 26   and name  HB1 ))
   (  segid "   A" and resid 26   and name  HD2#)
      2.180     0.594     0.594 peak   580 weight  1.00000E+00 volume  5.22180E+06 ppm1      1.317 ppm2      0.766

 ASSI {  583}
   (( segid "   A" and resid 26   and name  HB2 ))
   (( segid "   A" and resid 26   and name  HA  ))
      2.672     0.892     0.892 peak   583 weight  1.00000E+00 volume  1.53963E+06 ppm1      1.713 ppm2      4.676

 ASSI {  591}
   (  segid "   A" and resid 26   and name  HD2#)
   (( segid "   A" and resid 26   and name  HG  ))
      1.836     0.421     0.421 peak   591 weight  1.00000E+00 volume  1.46393E+07 ppm1      0.752 ppm2      1.597

 ASSI {  600}
   (( segid "   A" and resid 26   and name  HB1 ))
   (  segid "   A" and resid 26   and name  HD2#)
      1.886     0.445     0.445 peak   600 weight  1.00000E+00 volume  1.24398E+07 ppm1      0.800 ppm2      1.287
 OR {  600}
   (  segid "   A" and resid 82   and name  HD2#)
   (( segid "   A" and resid 82   and name  HB2 ))

 ASSI {  601}
   (  segid "   A" and resid 26   and name  HD1#)
   (( segid "   A" and resid 26   and name  HG  ))
      1.798     0.404     0.404 peak   601 weight  1.00000E+00 volume  1.33668E+07 ppm1      0.799 ppm2      1.595

 ASSI {  606}
   (( segid "   A" and resid 26   and name  HA  ))
   (  segid "   A" and resid 26   and name  HD1#)
      2.458     0.755     0.755 peak   606 weight  1.00000E+00 volume  2.53882E+06 ppm1      0.801 ppm2      4.674

 ASSI { 3529}
   (( segid "   A" and resid 26   and name  HB1 ))
   (( segid "   A" and resid 26   and name  HA  ))
      2.777     0.964     0.964 peak  3529 weight  1.00000E+00 volume  1.22100E+06 ppm1      1.321 ppm2      4.631

 ASSI {  653}
   (( segid "   A" and resid 26   and name  HA  ))
   (( segid "   A" and resid 26   and name  HN  ))
      2.609     0.851     0.851 peak   653 weight  1.00000E+00 volume  8.45515E+07 ppm1      8.383 ppm2      4.627

 ASSI {  654}
   (( segid "   A" and resid 26   and name  HB1 ))
   (( segid "   A" and resid 26   and name  HN  ))
      2.692     0.906     0.906 peak   654 weight  1.00000E+00 volume  7.00272E+07 ppm1      8.379 ppm2      1.298

 ASSI { 1057}
   (  segid "   A" and resid 26   and name  HD1#)
   (( segid "   A" and resid 26   and name  HN  ))
      2.473     0.765     0.765 peak  1057 weight  1.00000E+00 volume  1.16383E+08 ppm1      8.383 ppm2      0.787

 ASSI { 2354}
   (( segid "   A" and resid 26   and name  HG  ))
   (( segid "   A" and resid 26   and name  HN  ))
      3.101     1.202     1.202 peak  2354 weight  1.00000E+00 volume  2.99600E+07 ppm1      8.386 ppm2      1.563

 ASSI { 1053}
   (( segid "   A" and resid 26   and name  HB2 ))
   (( segid "   A" and resid 26   and name  HN  ))
      2.802     0.981     0.981 peak  1053 weight  1.00000E+00 volume  5.21563E+07 ppm1      8.385 ppm2      1.700

 ASSI { 1054}
   (( segid "   A" and resid 26   and name  HB2 ))
   (( segid "   A" and resid 27   and name  HN  ))
      3.098     1.200     1.200 peak  1054 weight  1.00000E+00 volume  3.01222E+07 ppm1      7.511 ppm2      1.679

 ASSI { 1065}
   (( segid "   A" and resid 26   and name  HA  ))
   (( segid "   A" and resid 28   and name  HN  ))
      2.783     0.968     0.968 peak  1065 weight  1.00000E+00 volume  5.73801E+07 ppm1      8.160 ppm2      4.642

 ASSI { 3559}
   (  segid "   A" and resid 26   and name  HD2#)
   (  segid "   A" and resid 29   and name  HB# )
      2.192     0.600     0.600 peak  3559 weight  1.00000E+00 volume  5.05300E+06 ppm1      1.246 ppm2      0.756

 ASSI { 3561}
   (( segid "   A" and resid 26   and name  HB1 ))
   (  segid "   A" and resid 29   and name  HB# )
      2.280     0.650     0.650 peak  3561 weight  1.00000E+00 volume  3.99000E+06 ppm1      1.246 ppm2      1.425

 ASSI { 3563}
   (( segid "   A" and resid 26   and name  HA  ))
   (  segid "   A" and resid 29   and name  HB# )
      2.609     0.851     0.851 peak  3563 weight  1.00000E+00 volume  1.77500E+06 ppm1      1.245 ppm2      4.667

 ASSI {  736}
   (( segid "   A" and resid 26   and name  HB1 ))
   (( segid "   A" and resid 30   and name  HG  ))
      1.954     0.478     0.478 peak   736 weight  1.00000E+00 volume  1.00426E+07 ppm1      1.490 ppm2      1.331

 ASSI { 2404}
   (( segid "   A" and resid 26   and name  HB1 ))
   (( segid "   A" and resid 30   and name  HN  ))
      3.332     1.387     1.387 peak  2404 weight  1.00000E+00 volume  1.94800E+07 ppm1      7.448 ppm2      1.677

 ASSI {  593}
   (  segid "   A" and resid 26   and name  HD1#)
   (( segid "   A" and resid 62   and name  HB2 ))
      2.228     0.621     0.621 peak   593 weight  1.00000E+00 volume  1.54766E+06 ppm1      0.755 ppm2      2.493
 OR {  593}
   (  segid "   A" and resid 26   and name  HD1#)
   (( segid "   A" and resid 92   and name  HB1 ))

 ASSI { 2525}
   (  segid "   A" and resid 26   and name  HD# )
   (( segid "   A" and resid 63   and name  HN  ))
      3.092     1.195     1.195 peak  2525 weight  1.00000E+00 volume  3.04800E+07 ppm1      7.554 ppm2      0.786

 ASSI { 3533}
   (  segid "   A" and resid 26   and name  HD2#)
   (( segid "   A" and resid 66   and name  HB1 ))
      2.090     0.546     0.546 peak  3533 weight  1.00000E+00 volume  6.71200E+06 ppm1      0.754 ppm2      1.946

 ASSI { 3864}
   (( segid "   A" and resid 26   and name  HG  ))
   (( segid "   A" and resid 92   and name  HA  ))
      2.612     0.853     0.853 peak  3864 weight  1.00000E+00 volume  1.76100E+06 ppm1      3.922 ppm2      1.612

 ASSI { 1879}
   (( segid "   A" and resid 26   and name  HB1 ))
   (( segid "   A" and resid 92   and name  HN  ))
      3.301     1.362     1.362 peak  1879 weight  1.00000E+00 volume  2.05834E+07 ppm1      7.429 ppm2      1.292
 OR { 1879}
   (  segid "   A" and resid 89   and name  HG2#)
   (( segid "   A" and resid 92   and name  HN  ))

 ASSI { 1893}
   (( segid "   A" and resid 26   and name  HG  ))
   (( segid "   A" and resid 93   and name  HN  ))
      3.434     1.474     1.474 peak  1893 weight  1.00000E+00 volume  1.62394E+07 ppm1      7.542 ppm2      1.587
 OR { 1893}
   (( segid "   A" and resid 91   and name  HB2 ))
   (( segid "   A" and resid 93   and name  HN  ))

 ASSI { 3543}
   (  segid "   A" and resid 27   and name  HG2#)
   (( segid "   A" and resid 9    and name  HN  ))
      2.528     0.799     0.799 peak  3543 weight  1.00000E+00 volume  2.14600E+06 ppm1      0.898 ppm2      8.342

 ASSI {  409}
   (( segid "   A" and resid 27   and name  HA  ))
   (  segid "   A" and resid 21   and name  HG2#)
      2.296     0.659     0.659 peak   409 weight  1.00000E+00 volume  3.81737E+06 ppm1      0.712 ppm2      3.059

 ASSI {  121}
   (( segid "   A" and resid 27   and name  HN  ))
   (( segid "   A" and resid 26   and name  HN  ))
      2.409     0.725     0.725 peak   121 weight  1.00000E+00 volume  6.01104E+07 ppm1      8.380 ppm2      7.508

 ASSI {  634}
   (( segid "   A" and resid 27   and name  HA  ))
   (  segid "   A" and resid 27   and name  HG2#)
      2.007     0.503     0.503 peak   634 weight  1.00000E+00 volume  8.56672E+06 ppm1      0.895 ppm2      3.060

 ASSI {  640}
   (  segid "   A" and resid 27   and name  HG2#)
   (( segid "   A" and resid 27   and name  HB  ))
      1.726     0.372     0.372 peak   640 weight  1.00000E+00 volume  2.11751E+07 ppm1      0.896 ppm2      1.946

 ASSI { 2655}
   (( segid "   A" and resid 27   and name  HA  ))
   (( segid "   A" and resid 27   and name  HB  ))
      2.584     0.835     0.835 peak  2655 weight  1.00000E+00 volume  1.14410E+06 ppm1      1.949 ppm2      3.064

 ASSI {  656}
   (( segid "   A" and resid 27   and name  HN  ))
   (( segid "   A" and resid 27   and name  HB  ))
      2.191     0.600     0.600 peak   656 weight  1.00000E+00 volume  2.40556E+08 ppm1      7.513 ppm2      1.946

 ASSI { 2392}
   (( segid "   A" and resid 27   and name  HA  ))
   (( segid "   A" and resid 27   and name  HN  ))
      2.466     0.760     0.760 peak  2392 weight  1.00000E+00 volume  1.11600E+08 ppm1      7.513 ppm2      3.041

 ASSI { 3551}
   (  segid "   A" and resid 27   and name  HG1#)
   (( segid "   A" and resid 28   and name  HA  ))
      2.343     0.686     0.686 peak  3551 weight  1.00000E+00 volume  3.38000E+06 ppm1      3.902 ppm2      0.785
 OR { 3551}
   (  segid "   A" and resid 26   and name  HD2#)
   (( segid "   A" and resid 66   and name  HA  ))

 ASSI { 3556}
   (  segid "   A" and resid 27   and name  HG1#)
   (  segid "   A" and resid 28   and name  HG# )
      2.286     0.653     0.653 peak  3556 weight  1.00000E+00 volume  3.92700E+06 ppm1      2.254 ppm2      0.799

 ASSI { 4120}
   (( segid "   A" and resid 27   and name  HN  ))
   (  segid "   A" and resid 28   and name  HG# )
      2.760     0.952     0.952 peak  4120 weight  1.00000E+00 volume  1.26700E+06 ppm1      2.240 ppm2      7.538

 ASSI {  227}
   (( segid "   A" and resid 27   and name  HN  ))
   (( segid "   A" and resid 28   and name  HN  ))
      2.267     0.642     0.642 peak   227 weight  1.00000E+00 volume  1.27601E+08 ppm1      7.514 ppm2      8.157

 ASSI {  917}
   (  segid "   A" and resid 27   and name  HG1#)
   (( segid "   A" and resid 28   and name  HN  ))
      2.304     0.664     0.664 peak   917 weight  1.00000E+00 volume  1.78038E+08 ppm1      8.158 ppm2      0.776

 ASSI { 1348}
   (( segid "   A" and resid 27   and name  HN  ))
   (( segid "   A" and resid 28   and name  HG1 ))
      3.365     1.416     1.416 peak  1348 weight  1.00000E+00 volume  1.83382E+07 ppm1      7.513 ppm2      2.216

 ASSI {  470}
   (( segid "   A" and resid 27   and name  HA  ))
   (( segid "   A" and resid 28   and name  HN  ))
      2.704     0.914     0.914 peak   470 weight  1.00000E+00 volume  6.82139E+07 ppm1      8.159 ppm2      3.035

 ASSI { 3540}
   (( segid "   A" and resid 27   and name  HA  ))
   (( segid "   A" and resid 30   and name  HG  ))
      2.788     0.971     0.971 peak  3540 weight  1.00000E+00 volume  1.19300E+06 ppm1      3.062 ppm2      1.507

 ASSI { 2401}
   (( segid "   A" and resid 27   and name  HA  ))
   (( segid "   A" and resid 30   and name  HN  ))
      3.151     1.241     1.241 peak  2401 weight  1.00000E+00 volume  2.72300E+07 ppm1      7.440 ppm2      3.043

 ASSI { 1388}
   (( segid "   A" and resid 27   and name  HA  ))
   (( segid "   A" and resid 31   and name  HE21))
      3.301     1.362     1.362 peak  1388 weight  1.00000E+00 volume  2.05878E+07 ppm1      7.185 ppm2      3.042

 ASSI { 3542}
   (( segid "   A" and resid 28   and name  HN  ))
   (( segid "   A" and resid 27   and name  HB  ))
      2.373     0.704     0.704 peak  3542 weight  1.00000E+00 volume  3.13500E+06 ppm1      1.947 ppm2      8.155

 ASSI {  646}
   (( segid "   A" and resid 28   and name  HA  ))
   (( segid "   A" and resid 28   and name  HB2 ))
      1.838     0.422     0.422 peak   646 weight  1.00000E+00 volume  1.45149E+07 ppm1      3.908 ppm2      1.957

 ASSI {  658}
   (( segid "   A" and resid 28   and name  HA  ))
   (( segid "   A" and resid 28   and name  HB1 ))
      2.166     0.586     0.586 peak   658 weight  1.00000E+00 volume  5.42309E+06 ppm1      1.996 ppm2      3.900

 ASSI {  662}
   (( segid "   A" and resid 28   and name  HN  ))
   (( segid "   A" and resid 28   and name  HB2 ))
      2.338     0.683     0.683 peak   662 weight  1.00000E+00 volume  3.42744E+06 ppm1      1.948 ppm2      8.145

 ASSI { 1067}
   (( segid "   A" and resid 28   and name  HN  ))
   (  segid "   A" and resid 28   and name  HG# )
      2.246     0.630     0.630 peak  1067 weight  1.00000E+00 volume  1.95172E+08 ppm1      8.159 ppm2      2.235

 ASSI { 3554}
   (( segid "   A" and resid 28   and name  HB2 ))
   (  segid "   A" and resid 28   and name  HG# )
      1.874     0.439     0.439 peak  3554 weight  1.00000E+00 volume  1.29200E+07 ppm1      1.997 ppm2      2.235

 ASSI { 1066}
   (( segid "   A" and resid 28   and name  HN  ))
   (( segid "   A" and resid 28   and name  HA  ))
      2.251     0.633     0.633 peak  1066 weight  1.00000E+00 volume  2.04717E+08 ppm1      8.158 ppm2      3.880

 ASSI { 3557}
   (  segid "   A" and resid 28   and name  HG# )
   (  segid "   A" and resid 29   and name  HB# )
      2.505     0.785     0.785 peak  3557 weight  1.00000E+00 volume  2.26400E+06 ppm1      2.257 ppm2      1.237

 ASSI {  110}
   (( segid "   A" and resid 28   and name  HN  ))
   (( segid "   A" and resid 29   and name  HN  ))
      2.422     0.733     0.733 peak   110 weight  1.00000E+00 volume  1.32122E+08 ppm1      8.158 ppm2      8.051

 ASSI { 2251}
   (( segid "   A" and resid 28   and name  HA  ))
   (( segid "   A" and resid 29   and name  HN  ))
      2.899     1.051     1.051 peak  2251 weight  1.00000E+00 volume  4.48709E+07 ppm1      8.090 ppm2      3.881

 ASSI { 3575}
   (( segid "   A" and resid 28   and name  HA  ))
   (  segid "   A" and resid 31   and name  HB# )
      2.604     0.848     0.848 peak  3575 weight  1.00000E+00 volume  1.79500E+06 ppm1      2.125 ppm2      3.891

 ASSI {  678}
   (( segid "   A" and resid 29   and name  HA  ))
   (( segid "   A" and resid 29   and name  HN  ))
      2.173     0.590     0.590 peak   678 weight  1.00000E+00 volume  5.31501E+06 ppm1      4.060 ppm2      8.058

 ASSI {  686}
   (( segid "   A" and resid 29   and name  HA  ))
   (  segid "   A" and resid 29   and name  HB# )
      2.032     0.516     0.516 peak   686 weight  1.00000E+00 volume  7.95717E+06 ppm1      1.245 ppm2      4.059

 ASSI { 2894}
   (( segid "   A" and resid 29   and name  HN  ))
   (  segid "   A" and resid 29   and name  HB# )
      2.139     0.572     0.572 peak  2894 weight  1.00000E+00 volume  2.54925E+08 ppm1      8.091 ppm2      1.207

 ASSI {  471}
   (  segid "   A" and resid 29   and name  HB# )
   (( segid "   A" and resid 30   and name  HN  ))
      2.394     0.716     0.716 peak   471 weight  1.00000E+00 volume  1.41521E+08 ppm1      7.441 ppm2      1.220

 ASSI {  472}
   (( segid "   A" and resid 29   and name  HA  ))
   (( segid "   A" and resid 30   and name  HN  ))
      3.136     1.230     1.230 peak   472 weight  1.00000E+00 volume  2.79932E+07 ppm1      7.440 ppm2      4.034

 ASSI {  370}
   (( segid "   A" and resid 29   and name  HN  ))
   (( segid "   A" and resid 30   and name  HN  ))
      2.634     0.867     0.867 peak   370 weight  1.00000E+00 volume  1.79702E+07 ppm1      8.036 ppm2      7.448

 ASSI {  417}
   (  segid "   A" and resid 30   and name  HD1#)
   (  segid "   A" and resid 21   and name  HG2#)
      1.902     0.452     0.452 peak   417 weight  1.00000E+00 volume  1.18418E+07 ppm1      0.711 ppm2      0.558

 ASSI {  419}
   (  segid "   A" and resid 30   and name  HD2#)
   (  segid "   A" and resid 21   and name  HG2#)
      2.557     0.817     0.817 peak   419 weight  1.00000E+00 volume  2.00287E+06 ppm1      0.709 ppm2      0.199

 ASSI { 3568}
   (  segid "   A" and resid 30   and name  HD2#)
   (( segid "   A" and resid 21   and name  HB  ))
      3.045     1.159     1.159 peak  3568 weight  1.00000E+00 volume  7.02700E+05 ppm1      0.172 ppm2      2.065

 ASSI {  681}
   (  segid "   A" and resid 30   and name  HD2#)
   (  segid "   A" and resid 29   and name  HB# )
      2.714     0.921     0.921 peak   681 weight  1.00000E+00 volume  1.40171E+06 ppm1      1.245 ppm2      0.182

 ASSI {  693}
   (( segid "   A" and resid 30   and name  HA  ))
   (( segid "   A" and resid 30   and name  HB2 ))
      2.397     0.718     0.718 peak   693 weight  1.00000E+00 volume  2.94831E+06 ppm1      3.957 ppm2      1.485

 ASSI {  694}
   (( segid "   A" and resid 30   and name  HA  ))
   (( segid "   A" and resid 30   and name  HB1 ))
      2.527     0.798     0.798 peak   694 weight  1.00000E+00 volume  2.14868E+06 ppm1      3.964 ppm2      1.289

 ASSI { 1073}
   (( segid "   A" and resid 30   and name  HN  ))
   (( segid "   A" and resid 30   and name  HB2 ))
      2.270     0.644     0.644 peak  1073 weight  1.00000E+00 volume  1.94700E+08 ppm1      7.442 ppm2      1.476

 ASSI {  708}
   (  segid "   A" and resid 30   and name  HD2#)
   (( segid "   A" and resid 30   and name  HB1 ))
      2.240     0.627     0.627 peak   708 weight  1.00000E+00 volume  4.43515E+06 ppm1      0.169 ppm2      1.290

 ASSI {  709}
   (  segid "   A" and resid 30   and name  HD2#)
   (( segid "   A" and resid 30   and name  HG  ))
      2.153     0.579     0.579 peak   709 weight  1.00000E+00 volume  5.62264E+06 ppm1      0.169 ppm2      1.500

 ASSI {  695}
   (  segid "   A" and resid 30   and name  HD2#)
   (( segid "   A" and resid 30   and name  HA  ))
      2.186     0.598     0.598 peak   695 weight  1.00000E+00 volume  3.91831E+06 ppm1      3.965 ppm2      0.157

 ASSI {  706}
   (  segid "   A" and resid 30   and name  HD1#)
   (  segid "   A" and resid 30   and name  HD2#)
      2.076     0.539     0.539 peak   706 weight  1.00000E+00 volume  5.71533E+06 ppm1      0.167 ppm2      0.540

 ASSI {  726}
   (  segid "   A" and resid 30   and name  HD1#)
   (( segid "   A" and resid 30   and name  HB1 ))
      2.171     0.589     0.589 peak   726 weight  1.00000E+00 volume  5.35324E+06 ppm1      0.540 ppm2      1.295

 ASSI {  727}
   (  segid "   A" and resid 30   and name  HD1#)
   (( segid "   A" and resid 30   and name  HG  ))
      2.029     0.515     0.515 peak   727 weight  1.00000E+00 volume  8.01836E+06 ppm1      0.539 ppm2      1.500

 ASSI {  731}
   (( segid "   A" and resid 30   and name  HG  ))
   (( segid "   A" and resid 30   and name  HA  ))
      2.514     0.790     0.790 peak   731 weight  1.00000E+00 volume  2.21553E+06 ppm1      1.494 ppm2      3.950

 ASSI {  733}
   (( segid "   A" and resid 30   and name  HG  ))
   (( segid "   A" and resid 30   and name  HN  ))
      2.699     0.910     0.910 peak   733 weight  1.00000E+00 volume  1.44861E+06 ppm1      1.481 ppm2      7.427

 ASSI { 1076}
   (  segid "   A" and resid 30   and name  HD2#)
   (( segid "   A" and resid 30   and name  HN  ))
      2.747     0.943     0.943 peak  1076 weight  1.00000E+00 volume  4.82195E+07 ppm1      7.440 ppm2      0.150

 ASSI { 3572}
   (  segid "   A" and resid 30   and name  HD1#)
   (( segid "   A" and resid 30   and name  HA  ))
      2.775     0.963     0.963 peak  3572 weight  1.00000E+00 volume  1.22500E+06 ppm1      0.540 ppm2      3.976

 ASSI { 1072}
   (( segid "   A" and resid 30   and name  HN  ))
   (( segid "   A" and resid 30   and name  HA  ))
      2.618     0.857     0.857 peak  1072 weight  1.00000E+00 volume  8.26612E+07 ppm1      7.443 ppm2      3.934

 ASSI { 1075}
   (  segid "   A" and resid 30   and name  HD1#)
   (( segid "   A" and resid 30   and name  HN  ))
      2.769     0.958     0.958 peak  1075 weight  1.00000E+00 volume  5.20516E+07 ppm1      7.443 ppm2      0.520

 ASSI { 1077}
   (  segid "   A" and resid 30   and name  HD2#)
   (( segid "   A" and resid 31   and name  HN  ))
      3.167     1.254     1.254 peak  1077 weight  1.00000E+00 volume  2.64117E+07 ppm1      7.569 ppm2      0.144

 ASSI { 1078}
   (  segid "   A" and resid 30   and name  HD1#)
   (( segid "   A" and resid 31   and name  HN  ))
      3.440     1.479     1.479 peak  1078 weight  1.00000E+00 volume  1.60835E+07 ppm1      7.572 ppm2      0.515

 ASSI { 2419}
   (( segid "   A" and resid 30   and name  HA  ))
   (( segid "   A" and resid 32   and name  HN  ))
      2.618     0.857     0.857 peak  2419 weight  1.00000E+00 volume  8.27700E+07 ppm1      7.639 ppm2      3.929

 ASSI { 1685}
   (  segid "   A" and resid 30   and name  HD1#)
   (( segid "   A" and resid 70   and name  HN  ))
      3.182     1.265     1.265 peak  1685 weight  1.00000E+00 volume  2.56857E+07 ppm1      7.770 ppm2      0.560
 OR { 1685}
   (  segid "   A" and resid 30   and name  HD1#)
   (( segid "   A" and resid 22   and name  HN  ))

 ASSI { 3296}
   (  segid "   A" and resid 30   and name  HD2#)
   (  segid "   A" and resid 72   and name  HG2#)
      2.500     0.782     0.782 peak  3296 weight  1.00000E+00 volume  2.29083E+06 ppm1      0.966 ppm2      0.151

 ASSI {  692}
   (( segid "   A" and resid 30   and name  HA  ))
   (( segid "   A" and resid 91   and name  HG  ))
      2.700     0.911     0.911 peak   692 weight  1.00000E+00 volume  1.44431E+06 ppm1      3.953 ppm2      1.799

 ASSI { 2058}
   (  segid "   A" and resid 30   and name  HD2#)
   (  segid "   A" and resid 91   and name  HD1#)
      1.812     0.410     0.410 peak  2058 weight  1.00000E+00 volume  7.15245E+05 ppm1      0.899 ppm2      0.202

 ASSI { 1389}
   (( segid "   A" and resid 31   and name  HE21))
   (( segid "   A" and resid 6    and name  HB1 ))
      3.388     1.435     1.435 peak  1389 weight  1.00000E+00 volume  1.76004E+07 ppm1      7.188 ppm2      2.661

 ASSI { 1410}
   (( segid "   A" and resid 31   and name  HE21))
   (  segid "   A" and resid 9    and name  HG2#)
      2.878     1.035     1.035 peak  1410 weight  1.00000E+00 volume  4.69100E+07 ppm1      7.187 ppm2      0.888
 OR { 1410}
   (( segid "   A" and resid 31   and name  HE21))
   (  segid "   A" and resid 27   and name  HG2#)

 ASSI { 1408}
   (( segid "   A" and resid 31   and name  HE22))
   (  segid "   A" and resid 27   and name  HG2#)
      3.122     1.219     1.219 peak  1408 weight  1.00000E+00 volume  2.87443E+07 ppm1      6.761 ppm2      0.887
 OR { 1408}
   (( segid "   A" and resid 31   and name  HE22))
   (  segid "   A" and resid 9    and name  HG2#)

 ASSI { 2415}
   (( segid "   A" and resid 31   and name  HE22))
   (  segid "   A" and resid 27   and name  HG2#)
      3.123     1.219     1.219 peak  2415 weight  1.00000E+00 volume  2.87400E+07 ppm1      6.761 ppm2      0.887

 ASSI { 2417}
   (( segid "   A" and resid 31   and name  HE21))
   (  segid "   A" and resid 27   and name  HG2#)
      2.878     1.035     1.035 peak  2417 weight  1.00000E+00 volume  4.69100E+07 ppm1      7.187 ppm2      0.888

 ASSI { 3552}
   (( segid "   A" and resid 31   and name  HG1 ))
   (( segid "   A" and resid 28   and name  HA  ))
      2.588     0.837     0.837 peak  3552 weight  1.00000E+00 volume  1.86400E+06 ppm1      3.903 ppm2      2.517

 ASSI { 3584}
   (( segid "   A" and resid 31   and name  HG2 ))
   (( segid "   A" and resid 28   and name  HA  ))
      2.583     0.834     0.834 peak  3584 weight  1.00000E+00 volume  1.88600E+06 ppm1      2.361 ppm2      3.906

 ASSI { 1386}
   (( segid "   A" and resid 31   and name  HE21))
   (( segid "   A" and resid 28   and name  HA  ))
      2.881     1.038     1.038 peak  1386 weight  1.00000E+00 volume  4.65522E+07 ppm1      7.185 ppm2      3.879

 ASSI { 1387}
   (( segid "   A" and resid 31   and name  HE22))
   (( segid "   A" and resid 28   and name  HA  ))
      3.391     1.438     1.438 peak  1387 weight  1.00000E+00 volume  1.75065E+07 ppm1      6.762 ppm2      3.879

 ASSI { 2396}
   (( segid "   A" and resid 31   and name  HG1 ))
   (( segid "   A" and resid 28   and name  HN  ))
      3.530     1.558     1.558 peak  2396 weight  1.00000E+00 volume  1.37700E+07 ppm1      8.157 ppm2      2.518

 ASSI { 2397}
   (( segid "   A" and resid 31   and name  HG2 ))
   (( segid "   A" and resid 28   and name  HN  ))
      3.663     1.677     1.677 peak  2397 weight  1.00000E+00 volume  1.10300E+07 ppm1      8.160 ppm2      2.394

 ASSI { 2248}
   (( segid "   A" and resid 31   and name  HN  ))
   (( segid "   A" and resid 29   and name  HN  ))
      3.222     1.297     1.297 peak  2248 weight  1.00000E+00 volume  2.38219E+07 ppm1      8.090 ppm2      7.573

 ASSI { 2406}
   (( segid "   A" and resid 31   and name  HN  ))
   (( segid "   A" and resid 29   and name  HA  ))
      2.918     1.064     1.064 peak  2406 weight  1.00000E+00 volume  4.31700E+07 ppm1      7.571 ppm2      4.032

 ASSI {  373}
   (( segid "   A" and resid 31   and name  HN  ))
   (( segid "   A" and resid 30   and name  HN  ))
      2.298     0.660     0.660 peak   373 weight  1.00000E+00 volume  1.80733E+08 ppm1      7.570 ppm2      7.441

 ASSI { 1080}
   (( segid "   A" and resid 31   and name  HN  ))
   (( segid "   A" and resid 30   and name  HB2 ))
      2.600     0.845     0.845 peak  1080 weight  1.00000E+00 volume  8.61745E+07 ppm1      7.570 ppm2      1.476

 ASSI { 1405}
   (( segid "   A" and resid 31   and name  HE21))
   (( segid "   A" and resid 30   and name  HB1 ))
      2.995     1.122     1.122 peak  1405 weight  1.00000E+00 volume  3.68806E+07 ppm1      7.186 ppm2      1.291
 OR { 1405}
   (  segid "   A" and resid 3    and name  HG2#)
   (( segid "   A" and resid 31   and name  HE21))

 ASSI { 2413}
   (( segid "   A" and resid 31   and name  HE21))
   (( segid "   A" and resid 30   and name  HB2 ))
      2.995     1.122     1.122 peak  2413 weight  1.00000E+00 volume  3.68800E+07 ppm1      7.186 ppm2      1.291

 ASSI {  742}
   (( segid "   A" and resid 31   and name  HG2 ))
   (  segid "   A" and resid 31   and name  HB# )
      2.025     0.513     0.513 peak   742 weight  1.00000E+00 volume  8.11489E+06 ppm1      2.125 ppm2      2.339

 ASSI {  751}
   (( segid "   A" and resid 31   and name  HG1 ))
   (  segid "   A" and resid 31   and name  HB# )
      2.137     0.571     0.571 peak   751 weight  1.00000E+00 volume  5.87024E+06 ppm1      2.526 ppm2      2.127

 ASSI {  752}
   (( segid "   A" and resid 31   and name  HG1 ))
   (( segid "   A" and resid 31   and name  HG2 ))
      1.869     0.437     0.437 peak   752 weight  1.00000E+00 volume  1.31429E+07 ppm1      2.527 ppm2      2.358

 ASSI {  767}
   (( segid "   A" and resid 31   and name  HG2 ))
   (( segid "   A" and resid 31   and name  HA  ))
      2.413     0.728     0.728 peak   767 weight  1.00000E+00 volume  2.83366E+06 ppm1      2.355 ppm2      4.563

 ASSI { 3576}
   (  segid "   A" and resid 31   and name  HB# )
   (( segid "   A" and resid 31   and name  HA  ))
      2.513     0.789     0.789 peak  3576 weight  1.00000E+00 volume  2.22200E+06 ppm1      2.129 ppm2      4.556

 ASSI {  657}
   (( segid "   A" and resid 31   and name  HN  ))
   (( segid "   A" and resid 31   and name  HA  ))
      2.423     0.734     0.734 peak   657 weight  1.00000E+00 volume  1.31728E+08 ppm1      7.569 ppm2      4.536

 ASSI {  990}
   (( segid "   A" and resid 31   and name  HN  ))
   (( segid "   A" and resid 31   and name  HG2 ))
      2.318     0.672     0.672 peak   990 weight  1.00000E+00 volume  9.55374E+07 ppm1      7.569 ppm2      2.347

 ASSI {  991}
   (( segid "   A" and resid 31   and name  HN  ))
   (( segid "   A" and resid 31   and name  HG1 ))
      2.501     0.782     0.782 peak   991 weight  1.00000E+00 volume  1.08963E+08 ppm1      7.570 ppm2      2.517

 ASSI {  992}
   (( segid "   A" and resid 31   and name  HN  ))
   (  segid "   A" and resid 31   and name  HB# )
      2.128     0.566     0.566 peak   992 weight  1.00000E+00 volume  2.87160E+08 ppm1      7.569 ppm2      2.109

 ASSI { 1378}
   (( segid "   A" and resid 31   and name  HE22))
   (( segid "   A" and resid 31   and name  HE21))
      1.634     0.334     0.334 peak  1378 weight  1.00000E+00 volume  1.27879E+09 ppm1      6.760 ppm2      7.183

 ASSI { 1390}
   (( segid "   A" and resid 31   and name  HG1 ))
   (( segid "   A" and resid 31   and name  HE21))
      2.364     0.698     0.698 peak  1390 weight  1.00000E+00 volume  1.52750E+08 ppm1      7.185 ppm2      2.513

 ASSI { 1391}
   (( segid "   A" and resid 31   and name  HG1 ))
   (( segid "   A" and resid 31   and name  HE22))
      2.738     0.937     0.937 peak  1391 weight  1.00000E+00 volume  6.31615E+07 ppm1      6.759 ppm2      2.516

 ASSI { 1392}
   (( segid "   A" and resid 31   and name  HG2 ))
   (( segid "   A" and resid 31   and name  HE21))
      2.278     0.649     0.649 peak  1392 weight  1.00000E+00 volume  1.90715E+08 ppm1      7.185 ppm2      2.347

 ASSI { 1393}
   (( segid "   A" and resid 31   and name  HG2 ))
   (( segid "   A" and resid 31   and name  HE22))
      2.669     0.890     0.890 peak  1393 weight  1.00000E+00 volume  7.37579E+07 ppm1      6.760 ppm2      2.347

 ASSI { 1396}
   (( segid "   A" and resid 31   and name  HE22))
   (( segid "   A" and resid 31   and name  HA  ))
      3.178     1.263     1.263 peak  1396 weight  1.00000E+00 volume  2.58476E+07 ppm1      6.761 ppm2      4.566

 ASSI { 1397}
   (( segid "   A" and resid 31   and name  HE21))
   (( segid "   A" and resid 31   and name  HA  ))
      3.042     1.157     1.157 peak  1397 weight  1.00000E+00 volume  3.36050E+07 ppm1      7.184 ppm2      4.545

 ASSI {  376}
   (( segid "   A" and resid 31   and name  HN  ))
   (( segid "   A" and resid 32   and name  HN  ))
      2.108     0.556     0.556 peak   376 weight  1.00000E+00 volume  3.03271E+08 ppm1      7.638 ppm2      7.568

 ASSI {  474}
   (( segid "   A" and resid 31   and name  HA  ))
   (( segid "   A" and resid 32   and name  HN  ))
      2.712     0.919     0.919 peak   474 weight  1.00000E+00 volume  6.69891E+07 ppm1      7.637 ppm2      4.534

 ASSI {  993}
   (  segid "   A" and resid 31   and name  HB# )
   (( segid "   A" and resid 32   and name  HN  ))
      2.723     0.927     0.927 peak   993 weight  1.00000E+00 volume  6.53236E+07 ppm1      7.638 ppm2      2.109

 ASSI { 1086}
   (( segid "   A" and resid 31   and name  HG2 ))
   (( segid "   A" and resid 32   and name  HN  ))
      3.424     1.466     1.466 peak  1086 weight  1.00000E+00 volume  1.65233E+07 ppm1      7.638 ppm2      2.328

 ASSI {  776}
   (( segid "   A" and resid 33   and name  HA  ))
   (( segid "   A" and resid 33   and name  HB2 ))
      2.262     0.640     0.640 peak   776 weight  1.00000E+00 volume  4.18019E+06 ppm1      4.187 ppm2      2.329

 ASSI {  778}
   (( segid "   A" and resid 33   and name  HA  ))
   (( segid "   A" and resid 33   and name  HB1 ))
      2.339     0.684     0.684 peak   778 weight  1.00000E+00 volume  1.58977E+06 ppm1      4.182 ppm2      1.812

 ASSI {  786}
   (( segid "   A" and resid 33   and name  HB2 ))
   (( segid "   A" and resid 33   and name  HG1 ))
      2.117     0.560     0.560 peak   786 weight  1.00000E+00 volume  6.21046E+06 ppm1      2.318 ppm2      2.013

 ASSI {  789}
   (( segid "   A" and resid 33   and name  HB2 ))
   (( segid "   A" and resid 33   and name  HB1 ))
      1.993     0.496     0.496 peak   789 weight  1.00000E+00 volume  8.93626E+06 ppm1      2.319 ppm2      1.806

 ASSI {  792}
   (( segid "   A" and resid 33   and name  HG1 ))
   (( segid "   A" and resid 33   and name  HG2 ))
      1.588     0.315     0.315 peak   792 weight  1.00000E+00 volume  3.49298E+07 ppm1      2.135 ppm2      2.010

 ASSI { 4272}
   (( segid "   A" and resid 33   and name  HG2 ))
   (  segid "   A" and resid 33   and name  HD# )
      2.084     0.543     0.543 peak  4272 weight  1.00000E+00 volume  6.84049E+06 ppm1      3.760 ppm2      2.141

 ASSI {  475}
   (( segid "   A" and resid 33   and name  HB1 ))
   (( segid "   A" and resid 34   and name  HN  ))
      2.684     0.901     0.901 peak   475 weight  1.00000E+00 volume  7.11933E+07 ppm1      8.016 ppm2      1.785

 ASSI {  477}
   (( segid "   A" and resid 33   and name  HA  ))
   (( segid "   A" and resid 34   and name  HN  ))
      2.830     1.001     1.001 peak   477 weight  1.00000E+00 volume  5.18642E+07 ppm1      8.013 ppm2      4.150

 ASSI { 1087}
   (( segid "   A" and resid 33   and name  HG2 ))
   (( segid "   A" and resid 34   and name  HN  ))
      2.947     1.086     1.086 peak  1087 weight  1.00000E+00 volume  4.06563E+07 ppm1      8.015 ppm2      2.138

 ASSI { 2423}
   (( segid "   A" and resid 33   and name  HG1 ))
   (( segid "   A" and resid 34   and name  HN  ))
      3.118     1.215     1.215 peak  2423 weight  1.00000E+00 volume  2.90000E+07 ppm1      8.014 ppm2      1.978

 ASSI {  805}
   (( segid "   A" and resid 34   and name  HA2 ))
   (( segid "   A" and resid 34   and name  HA1 ))
      2.180     0.594     0.594 peak   805 weight  1.00000E+00 volume  5.22273E+06 ppm1      2.441 ppm2      2.793

 ASSI { 1021}
   (( segid "   A" and resid 34   and name  HA1 ))
   (( segid "   A" and resid 34   and name  HN  ))
      2.393     0.716     0.716 peak  1021 weight  1.00000E+00 volume  1.41880E+08 ppm1      8.014 ppm2      2.761

 ASSI { 1020}
   (( segid "   A" and resid 34   and name  HA2 ))
   (( segid "   A" and resid 34   and name  HN  ))
      2.195     0.602     0.602 peak  1020 weight  1.00000E+00 volume  2.38026E+08 ppm1      8.015 ppm2      2.432

 ASSI {  816}
   (( segid "   A" and resid 35   and name  HD2 ))
   (( segid "   A" and resid 35   and name  HB2 ))
      2.679     0.897     0.897 peak   816 weight  1.00000E+00 volume  1.51572E+06 ppm1      3.327 ppm2      2.198

 ASSI {  818}
   (( segid "   A" and resid 35   and name  HD2 ))
   (( segid "   A" and resid 35   and name  HG1 ))
      2.491     0.776     0.776 peak   818 weight  1.00000E+00 volume  2.34053E+06 ppm1      3.325 ppm2      1.795

 ASSI {  821}
   (( segid "   A" and resid 35   and name  HD1 ))
   (( segid "   A" and resid 35   and name  HB1 ))
      2.862     1.024     1.024 peak   821 weight  1.00000E+00 volume  1.01946E+06 ppm1      3.267 ppm2      1.586

 ASSI {  822}
   (( segid "   A" and resid 35   and name  HD1 ))
   (( segid "   A" and resid 35   and name  HG2 ))
      2.342     0.686     0.686 peak   822 weight  1.00000E+00 volume  3.39410E+06 ppm1      3.271 ppm2      1.371

 ASSI {  823}
   (( segid "   A" and resid 35   and name  HD2 ))
   (( segid "   A" and resid 35   and name  HG2 ))
      2.450     0.751     0.751 peak   823 weight  1.00000E+00 volume  2.58555E+06 ppm1      3.324 ppm2      1.372

 ASSI {  824}
   (( segid "   A" and resid 35   and name  HG1 ))
   (( segid "   A" and resid 35   and name  HG2 ))
      2.095     0.549     0.549 peak   824 weight  1.00000E+00 volume  6.59308E+06 ppm1      1.811 ppm2      1.369

 ASSI {  830}
   (( segid "   A" and resid 35   and name  HB1 ))
   (( segid "   A" and resid 35   and name  HG1 ))
      2.298     0.660     0.660 peak   830 weight  1.00000E+00 volume  3.80541E+06 ppm1      1.813 ppm2      1.562

 ASSI {  831}
   (( segid "   A" and resid 35   and name  HB2 ))
   (( segid "   A" and resid 35   and name  HG1 ))
      2.477     0.767     0.767 peak   831 weight  1.00000E+00 volume  2.42190E+06 ppm1      1.809 ppm2      2.183

 ASSI {  832}
   (( segid "   A" and resid 35   and name  HB2 ))
   (( segid "   A" and resid 35   and name  HG2 ))
      2.809     0.986     0.986 peak   832 weight  1.00000E+00 volume  1.14029E+06 ppm1      1.372 ppm2      2.179

 ASSI {  819}
   (( segid "   A" and resid 35   and name  HD1 ))
   (( segid "   A" and resid 35   and name  HG1 ))
      2.199     0.604     0.604 peak   819 weight  1.00000E+00 volume  2.19908E+06 ppm1      3.263 ppm2      1.801

 ASSI { 1901}
   (( segid "   A" and resid 35   and name  HB1 ))
   (( segid "   A" and resid 36   and name  HN  ))
      3.048     1.161     1.161 peak  1901 weight  1.00000E+00 volume  3.32187E+07 ppm1      8.447 ppm2      1.557

 ASSI { 2318}
   (( segid "   A" and resid 35   and name  HB2 ))
   (( segid "   A" and resid 36   and name  HN  ))
      2.603     0.847     0.847 peak  2318 weight  1.00000E+00 volume  8.55500E+07 ppm1      8.479 ppm2      1.553

 ASSI { 3591}
   (( segid "   A" and resid 35   and name  HG2 ))
   (( segid "   A" and resid 75   and name  HA2 ))
      2.629     0.864     0.864 peak  3591 weight  1.00000E+00 volume  1.69681E+06 ppm1      1.372 ppm2      4.074

 ASSI { 1736}
   (  segid "   A" and resid 35   and name  HB# )
   (( segid "   A" and resid 75   and name  HN  ))
      3.147     1.238     1.238 peak  1736 weight  1.00000E+00 volume  2.74204E+07 ppm1      7.930 ppm2      1.779

 ASSI { 2586}
   (( segid "   A" and resid 35   and name  HG1 ))
   (( segid "   A" and resid 75   and name  HN  ))
      3.147     1.238     1.238 peak  2586 weight  1.00000E+00 volume  2.74200E+07 ppm1      7.930 ppm2      1.779

 ASSI {  829}
   (( segid "   A" and resid 35   and name  HG2 ))
   (  segid "   A" and resid 76   and name  HB# )
      2.459     0.756     0.756 peak   829 weight  1.00000E+00 volume  2.49519E+06 ppm1      1.377 ppm2      0.975

 ASSI { 2592}
   (( segid "   A" and resid 35   and name  HG1 ))
   (( segid "   A" and resid 76   and name  HN  ))
      2.771     0.960     0.960 peak  2592 weight  1.00000E+00 volume  4.62500E+07 ppm1      7.866 ppm2      1.782

 ASSI { 2594}
   (( segid "   A" and resid 35   and name  HG2 ))
   (( segid "   A" and resid 76   and name  HN  ))
      2.635     0.868     0.868 peak  2594 weight  1.00000E+00 volume  7.28900E+07 ppm1      7.866 ppm2      1.350

 ASSI { 1647}
   (( segid "   A" and resid 35   and name  HB1 ))
   (  segid "   A" and resid 76   and name  HB# )
      2.300     0.661     0.661 peak  1647 weight  1.00000E+00 volume  3.77993E+06 ppm1      0.967 ppm2      1.578

 ASSI { 1648}
   (  segid "   A" and resid 35   and name  HB# )
   (  segid "   A" and resid 76   and name  HB# )
      2.361     0.697     0.697 peak  1648 weight  1.00000E+00 volume  3.23502E+06 ppm1      0.969 ppm2      1.808

 ASSI { 1649}
   (( segid "   A" and resid 35   and name  HB2 ))
   (  segid "   A" and resid 76   and name  HB# )
      2.438     0.743     0.743 peak  1649 weight  1.00000E+00 volume  2.66451E+06 ppm1      0.972 ppm2      2.169

 ASSI { 3757}
   (( segid "   A" and resid 35   and name  HG1 ))
   (  segid "   A" and resid 76   and name  HB# )
      2.361     0.697     0.697 peak  3757 weight  1.00000E+00 volume  3.23500E+06 ppm1      0.969 ppm2      1.808

 ASSI { 1742}
   (( segid "   A" and resid 35   and name  HD2 ))
   (( segid "   A" and resid 76   and name  HN  ))
      3.201     1.281     1.281 peak  1742 weight  1.00000E+00 volume  2.47525E+07 ppm1      7.867 ppm2      3.346

 ASSI { 1743}
   (( segid "   A" and resid 35   and name  HD1 ))
   (( segid "   A" and resid 76   and name  HN  ))
      3.053     1.165     1.165 peak  1743 weight  1.00000E+00 volume  3.29213E+07 ppm1      7.865 ppm2      3.238
 OR { 1743}
   (( segid "   A" and resid 5    and name  HA  ))
   (( segid "   A" and resid 8    and name  HN  ))

 ASSI { 2590}
   (( segid "   A" and resid 35   and name  HD1 ))
   (( segid "   A" and resid 76   and name  HN  ))
      3.285     1.349     1.349 peak  2590 weight  1.00000E+00 volume  2.12100E+07 ppm1      7.868 ppm2      3.351

 ASSI { 2591}
   (( segid "   A" and resid 35   and name  HB1 ))
   (( segid "   A" and resid 76   and name  HN  ))
      3.354     1.406     1.406 peak  2591 weight  1.00000E+00 volume  1.87000E+07 ppm1      7.867 ppm2      2.151

 ASSI { 2593}
   (( segid "   A" and resid 35   and name  HB2 ))
   (( segid "   A" and resid 76   and name  HN  ))
      2.886     1.041     1.041 peak  2593 weight  1.00000E+00 volume  4.60700E+07 ppm1      7.864 ppm2      1.558

 ASSI {  478}
   (( segid "   A" and resid 36   and name  HN  ))
   (( segid "   A" and resid 35   and name  HA  ))
      2.343     0.686     0.686 peak   478 weight  1.00000E+00 volume  1.60915E+08 ppm1      8.480 ppm2      5.040

 ASSI {  843}
   (( segid "   A" and resid 36   and name  HA  ))
   (( segid "   A" and resid 36   and name  HB2 ))
      2.614     0.854     0.854 peak   843 weight  1.00000E+00 volume  1.75293E+06 ppm1      5.520 ppm2      2.462

 ASSI {  850}
   (( segid "   A" and resid 36   and name  HB2 ))
   (( segid "   A" and resid 36   and name  HB1 ))
      2.257     0.637     0.637 peak   850 weight  1.00000E+00 volume  3.37493E+06 ppm1      2.422 ppm2      3.005

 ASSI {  857}
   (( segid "   A" and resid 36   and name  HA  ))
   (( segid "   A" and resid 36   and name  HB1 ))
      2.508     0.786     0.786 peak   857 weight  1.00000E+00 volume  1.44901E+06 ppm1      3.017 ppm2      5.554

 ASSI {  660}
   (( segid "   A" and resid 36   and name  HB1 ))
   (( segid "   A" and resid 36   and name  HN  ))
      2.788     0.971     0.971 peak   660 weight  1.00000E+00 volume  5.67576E+07 ppm1      8.480 ppm2      3.003

 ASSI {  659}
   (( segid "   A" and resid 36   and name  HA  ))
   (( segid "   A" and resid 36   and name  HN  ))
      2.678     0.896     0.896 peak   659 weight  1.00000E+00 volume  6.54668E+07 ppm1      8.478 ppm2      5.520

 ASSI {  480}
   (( segid "   A" and resid 36   and name  HA  ))
   (( segid "   A" and resid 37   and name  HN  ))
      2.347     0.688     0.688 peak   480 weight  1.00000E+00 volume  1.59416E+08 ppm1      9.583 ppm2      5.519

 ASSI {  994}
   (( segid "   A" and resid 36   and name  HB2 ))
   (( segid "   A" and resid 37   and name  HN  ))
      2.830     1.001     1.001 peak   994 weight  1.00000E+00 volume  5.18722E+07 ppm1      9.579 ppm2      2.396

 ASSI {  853}
   (( segid "   A" and resid 36   and name  HB2 ))
   (  segid "   A" and resid 72   and name  HG1#)
      2.200     0.605     0.605 peak   853 weight  1.00000E+00 volume  4.16906E+06 ppm1      2.424 ppm2      0.869

 ASSI { 3278}
   (( segid "   A" and resid 36   and name  HB2 ))
   (  segid "   A" and resid 72   and name  HG1#)
      2.502     0.782     0.782 peak  3278 weight  1.00000E+00 volume  2.28439E+06 ppm1      0.898 ppm2      2.424
 OR { 3278}
   (  segid "   A" and resid 58   and name  HG1#)
   (( segid "   A" and resid 59   and name  HG2 ))

 ASSI { 3737}
   (( segid "   A" and resid 36   and name  HA  ))
   (  segid "   A" and resid 72   and name  HG1#)
      2.994     1.121     1.121 peak  3737 weight  1.00000E+00 volume  7.76900E+05 ppm1      0.874 ppm2      5.514

 ASSI { 1713}
   (( segid "   A" and resid 36   and name  HA  ))
   (( segid "   A" and resid 73   and name  HN  ))
      3.252     1.322     1.322 peak  1713 weight  1.00000E+00 volume  2.25065E+07 ppm1      9.385 ppm2      5.509

 ASSI {  841}
   (( segid "   A" and resid 36   and name  HA  ))
   (( segid "   A" and resid 74   and name  HA  ))
      2.641     0.872     0.872 peak   841 weight  1.00000E+00 volume  1.64908E+06 ppm1      5.528 ppm2      4.597

 ASSI { 3753}
   (( segid "   A" and resid 36   and name  HA  ))
   (  segid "   A" and resid 74   and name  HB# )
      2.821     0.995     0.995 peak  3753 weight  1.00000E+00 volume  1.11000E+06 ppm1      1.436 ppm2      5.524

 ASSI { 2584}
   (( segid "   A" and resid 36   and name  HA  ))
   (( segid "   A" and resid 75   and name  HN  ))
      2.408     0.725     0.725 peak  2584 weight  1.00000E+00 volume  1.36600E+08 ppm1      7.929 ppm2      5.518

 ASSI { 3594}
   (( segid "   A" and resid 36   and name  HB1 ))
   (( segid "   A" and resid 119  and name  HG2 ))
      2.629     0.864     0.864 peak  3594 weight  1.00000E+00 volume  1.69600E+06 ppm1      3.026 ppm2      2.041
 OR { 3594}
   (( segid "   A" and resid 107  and name  HB1 ))
   (  segid "   A" and resid 107  and name  HE# )

 ASSI { 1434}
   (( segid "   A" and resid 36   and name  HN  ))
   (( segid "   A" and resid 120  and name  HA  ))
      3.157     1.246     1.246 peak  1434 weight  1.00000E+00 volume  2.68967E+07 ppm1      8.480 ppm2      4.880

 ASSI { 2876}
   (( segid "   A" and resid 36   and name  HB2 ))
   (( segid "   A" and resid 120  and name  HD22))
      3.504     1.535     1.535 peak  2876 weight  1.00000E+00 volume  1.43863E+07 ppm1      7.060 ppm2      2.381

 ASSI { 1089}
   (( segid "   A" and resid 36   and name  HN  ))
   (( segid "   A" and resid 121  and name  HA2 ))
      2.544     0.809     0.809 peak  1089 weight  1.00000E+00 volume  9.82102E+07 ppm1      8.480 ppm2      3.540

 ASSI { 2704}
   (( segid "   A" and resid 36   and name  HN  ))
   (( segid "   A" and resid 121  and name  HA1 ))
      2.895     1.048     1.048 peak  2704 weight  1.00000E+00 volume  9.50255E+05 ppm1      5.768 ppm2      8.462

 ASSI { 3595}
   (( segid "   A" and resid 36   and name  HB1 ))
   (( segid "   A" and resid 121  and name  HN  ))
      2.769     0.958     0.958 peak  3595 weight  1.00000E+00 volume  1.24200E+06 ppm1      3.023 ppm2      7.038

 ASSI {   40}
   (( segid "   A" and resid 36   and name  HN  ))
   (( segid "   A" and resid 121  and name  HN  ))
      2.501     0.782     0.782 peak    40 weight  1.00000E+00 volume  3.16806E+07 ppm1      7.021 ppm2      8.474

 ASSI {  133}
   (( segid "   A" and resid 36   and name  HN  ))
   (( segid "   A" and resid 122  and name  HN  ))
      2.794     0.976     0.976 peak   133 weight  1.00000E+00 volume  5.44653E+07 ppm1      8.870 ppm2      8.469

 ASSI {   86}
   (( segid "   A" and resid 37   and name  HN  ))
   (( segid "   A" and resid 36   and name  HN  ))
      3.114     1.212     1.212 peak    86 weight  1.00000E+00 volume  2.92061E+07 ppm1      9.583 ppm2      8.457

 ASSI {  865}
   (  segid "   A" and resid 37   and name  HG2#)
   (( segid "   A" and resid 37   and name  HA  ))
      2.239     0.626     0.626 peak   865 weight  1.00000E+00 volume  2.50162E+06 ppm1      5.320 ppm2      1.034

 ASSI { 1096}
   (( segid "   A" and resid 37   and name  HN  ))
   (( segid "   A" and resid 37   and name  HB  ))
      2.635     0.868     0.868 peak  1096 weight  1.00000E+00 volume  7.95279E+07 ppm1      9.584 ppm2      3.910

 ASSI {  870}
   (  segid "   A" and resid 37   and name  HG2#)
   (( segid "   A" and resid 37   and name  HB  ))
      2.143     0.574     0.574 peak   870 weight  1.00000E+00 volume  1.96594E+06 ppm1      3.917 ppm2      1.032

 ASSI { 4278}
   (( segid "   A" and resid 37   and name  HB  ))
   (( segid "   A" and resid 37   and name  HG1 ))
      2.843     1.010     1.010 peak  4278 weight  1.00000E+00 volume  1.06057E+06 ppm1      3.929 ppm2      6.087

 ASSI { 1094}
   (  segid "   A" and resid 37   and name  HG2#)
   (( segid "   A" and resid 37   and name  HN  ))
      2.746     0.943     0.943 peak  1094 weight  1.00000E+00 volume  6.21351E+07 ppm1      9.584 ppm2      1.010

 ASSI { 1095}
   (( segid "   A" and resid 37   and name  HN  ))
   (( segid "   A" and resid 37   and name  HA  ))
      2.941     1.081     1.081 peak  1095 weight  1.00000E+00 volume  4.11727E+07 ppm1      9.584 ppm2      5.288

 ASSI { 2913}
   (( segid "   A" and resid 37   and name  HN  ))
   (( segid "   A" and resid 37   and name  HG1 ))
      2.786     0.970     0.970 peak  2913 weight  1.00000E+00 volume  5.70280E+07 ppm1      9.587 ppm2      6.109

 ASSI { 1016}
   (( segid "   A" and resid 37   and name  HA  ))
   (( segid "   A" and resid 38   and name  HN  ))
      2.319     0.672     0.672 peak  1016 weight  1.00000E+00 volume  1.71246E+08 ppm1      8.922 ppm2      5.290

 ASSI { 2906}
   (  segid "   A" and resid 37   and name  HG2#)
   (( segid "   A" and resid 38   and name  HN  ))
      2.466     0.760     0.760 peak  2906 weight  1.00000E+00 volume  1.18488E+08 ppm1      8.922 ppm2      0.995

 ASSI { 2434}
   (( segid "   A" and resid 37   and name  HN  ))
   (  segid "   A" and resid 72   and name  HG1#)
      2.470     0.763     0.763 peak  2434 weight  1.00000E+00 volume  1.17200E+08 ppm1      9.585 ppm2      0.856

 ASSI { 1617}
   (( segid "   A" and resid 37   and name  HB  ))
   (  segid "   A" and resid 73   and name  HG2#)
      2.323     0.675     0.675 peak  1617 weight  1.00000E+00 volume  3.56197E+06 ppm1      1.158 ppm2      3.947

 ASSI { 3599}
   (( segid "   A" and resid 37   and name  HB  ))
   (  segid "   A" and resid 73   and name  HG1#)
      2.530     0.800     0.800 peak  3599 weight  1.00000E+00 volume  2.13300E+06 ppm1      3.932 ppm2      0.879

 ASSI { 2430}
   (( segid "   A" and resid 37   and name  HN  ))
   (( segid "   A" and resid 73   and name  HA  ))
      3.443     1.482     1.482 peak  2430 weight  1.00000E+00 volume  1.60000E+07 ppm1      9.586 ppm2      4.398

 ASSI { 2432}
   (( segid "   A" and resid 37   and name  HN  ))
   (  segid "   A" and resid 73   and name  HG2#)
      3.052     1.164     1.164 peak  2432 weight  1.00000E+00 volume  3.29800E+07 ppm1      9.587 ppm2      1.138

 ASSI {   83}
   (( segid "   A" and resid 37   and name  HN  ))
   (( segid "   A" and resid 73   and name  HN  ))
      2.686     0.902     0.902 peak    83 weight  1.00000E+00 volume  6.22056E+07 ppm1      9.585 ppm2      9.381

 ASSI { 2573}
   (( segid "   A" and resid 37   and name  HB  ))
   (( segid "   A" and resid 73   and name  HN  ))
      2.847     1.013     1.013 peak  2573 weight  1.00000E+00 volume  5.00500E+07 ppm1      9.381 ppm2      3.908

 ASSI { 2433}
   (( segid "   A" and resid 37   and name  HN  ))
   (  segid "   A" and resid 74   and name  HB# )
      3.527     1.555     1.555 peak  2433 weight  1.00000E+00 volume  1.38300E+07 ppm1      9.580 ppm2      1.408

 ASSI { 3609}
   (  segid "   A" and resid 37   and name  HG2#)
   (( segid "   A" and resid 77   and name  HN  ))
      2.404     0.722     0.722 peak  3609 weight  1.00000E+00 volume  2.90100E+06 ppm1      1.032 ppm2      8.460

 ASSI { 4280}
   (  segid "   A" and resid 37   and name  HG2#)
   (  segid "   A" and resid 77   and name  HD# )
      2.297     0.660     0.660 peak  4280 weight  1.00000E+00 volume  3.80984E+06 ppm1      1.032 ppm2      6.852

 ASSI { 1771}
   (  segid "   A" and resid 37   and name  HG2#)
   (  segid "   A" and resid 82   and name  HD1#)
      2.505     0.784     0.784 peak  1771 weight  1.00000E+00 volume  2.26486E+06 ppm1      0.603 ppm2      1.010

 ASSI { 2124}
   (( segid "   A" and resid 37   and name  HA  ))
   (( segid "   A" and resid 122  and name  HN  ))
      2.177     0.592     0.592 peak  2124 weight  1.00000E+00 volume  1.13357E+08 ppm1      8.871 ppm2      5.294

 ASSI { 3602}
   (  segid "   A" and resid 37   and name  HG2#)
   (  segid "   A" and resid 122  and name  HG2#)
      2.290     0.656     0.656 peak  3602 weight  1.00000E+00 volume  3.88100E+06 ppm1      1.032 ppm2      0.376

 ASSI { 3604}
   (  segid "   A" and resid 37   and name  HG2#)
   (( segid "   A" and resid 122  and name  HB  ))
      2.248     0.632     0.632 peak  3604 weight  1.00000E+00 volume  4.34000E+06 ppm1      1.036 ppm2      1.653

 ASSI {   87}
   (( segid "   A" and resid 37   and name  HN  ))
   (( segid "   A" and resid 122  and name  HN  ))
      3.416     1.459     1.459 peak    87 weight  1.00000E+00 volume  1.67630E+07 ppm1      9.582 ppm2      8.875

 ASSI { 2806}
   (( segid "   A" and resid 37   and name  HB  ))
   (( segid "   A" and resid 122  and name  HN  ))
      3.323     1.380     1.380 peak  2806 weight  1.00000E+00 volume  1.98000E+07 ppm1      8.876 ppm2      3.913

 ASSI { 4140}
   (( segid "   A" and resid 38   and name  HB  ))
   (  segid "   A" and resid 38   and name  HG2#)
      2.193     0.601     0.601 peak  4140 weight  1.00000E+00 volume  5.03405E+06 ppm1      1.835 ppm2      0.881

 ASSI { 4141}
   (( segid "   A" and resid 38   and name  HB  ))
   (  segid "   A" and resid 38   and name  HG1#)
      2.201     0.606     0.606 peak  4141 weight  1.00000E+00 volume  4.92172E+06 ppm1      1.834 ppm2      0.739

 ASSI { 2311}
   (( segid "   A" and resid 38   and name  HB  ))
   (( segid "   A" and resid 38   and name  HN  ))
      2.573     0.828     0.828 peak  2311 weight  1.00000E+00 volume  9.18100E+07 ppm1      8.922 ppm2      1.813

 ASSI { 2309}
   (( segid "   A" and resid 38   and name  HN  ))
   (( segid "   A" and resid 38   and name  HA  ))
      3.034     1.151     1.151 peak  2309 weight  1.00000E+00 volume  3.41600E+07 ppm1      8.920 ppm2      4.801

 ASSI { 2907}
   (  segid "   A" and resid 38   and name  HG2#)
   (( segid "   A" and resid 38   and name  HN  ))
      2.490     0.775     0.775 peak  2907 weight  1.00000E+00 volume  1.11720E+08 ppm1      8.922 ppm2      0.889

 ASSI { 1013}
   (( segid "   A" and resid 38   and name  HN  ))
   (( segid "   A" and resid 39   and name  HN  ))
      3.173     1.259     1.259 peak  1013 weight  1.00000E+00 volume  2.60986E+07 ppm1      8.921 ppm2      9.211

 ASSI {  904}
   (( segid "   A" and resid 39   and name  HA  ))
   (( segid "   A" and resid 39   and name  HB1 ))
      2.822     0.995     0.995 peak   904 weight  1.00000E+00 volume  1.10865E+06 ppm1      3.250 ppm2      5.487

 ASSI {  905}
   (( segid "   A" and resid 39   and name  HA  ))
   (( segid "   A" and resid 39   and name  HB2 ))
      2.418     0.731     0.731 peak   905 weight  1.00000E+00 volume  1.47735E+06 ppm1      3.064 ppm2      5.492

 ASSI {  906}
   (( segid "   A" and resid 39   and name  HB1 ))
   (( segid "   A" and resid 39   and name  HB2 ))
      2.273     0.646     0.646 peak   906 weight  1.00000E+00 volume  4.05440E+06 ppm1      3.254 ppm2      3.071

 ASSI { 3611}
   (( segid "   A" and resid 39   and name  HB1 ))
   (  segid "   A" and resid 39   and name  HD# )
      2.532     0.801     0.801 peak  3611 weight  1.00000E+00 volume  2.12400E+06 ppm1      3.258 ppm2      7.089

 ASSI { 4301}
   (( segid "   A" and resid 39   and name  HB2 ))
   (  segid "   A" and resid 39   and name  HD# )
      2.691     0.905     0.905 peak  4301 weight  1.00000E+00 volume  1.47553E+06 ppm1      3.063 ppm2      7.084

 ASSI {  661}
   (( segid "   A" and resid 39   and name  HA  ))
   (( segid "   A" and resid 39   and name  HN  ))
      2.951     1.089     1.089 peak   661 weight  1.00000E+00 volume  4.02981E+07 ppm1      9.226 ppm2      5.467

 ASSI { 2437}
   (( segid "   A" and resid 39   and name  HB1 ))
   (( segid "   A" and resid 39   and name  HN  ))
      2.546     0.811     0.811 peak  2437 weight  1.00000E+00 volume  9.77200E+07 ppm1      9.227 ppm2      3.236

 ASSI { 2438}
   (( segid "   A" and resid 39   and name  HB2 ))
   (( segid "   A" and resid 39   and name  HN  ))
      2.788     0.971     0.971 peak  2438 weight  1.00000E+00 volume  5.67800E+07 ppm1      9.227 ppm2      3.038

 ASSI { 2917}
   (  segid "   A" and resid 39   and name  HD# )
   (( segid "   A" and resid 39   and name  HN  ))
      2.703     0.913     0.913 peak  2917 weight  1.00000E+00 volume  6.83558E+07 ppm1      9.227 ppm2      7.067

 ASSI {  481}
   (( segid "   A" and resid 39   and name  HA  ))
   (( segid "   A" and resid 40   and name  HN  ))
      2.284     0.652     0.652 peak   481 weight  1.00000E+00 volume  1.87669E+08 ppm1      8.835 ppm2      5.473

 ASSI {  899}
   (( segid "   A" and resid 39   and name  HA  ))
   (( segid "   A" and resid 124  and name  HB1 ))
      2.418     0.731     0.731 peak   899 weight  1.00000E+00 volume  2.80209E+06 ppm1      5.506 ppm2      3.044

 ASSI {  912}
   (( segid "   A" and resid 39   and name  HB2 ))
   (  segid "   A" and resid 126  and name  HD1#)
      2.396     0.717     0.717 peak   912 weight  1.00000E+00 volume  2.01563E+06 ppm1      3.067 ppm2      1.151

 ASSI { 4058}
   (( segid "   A" and resid 39   and name  HB1 ))
   (  segid "   A" and resid 126  and name  HD1#)
      2.377     0.707     0.707 peak  4058 weight  1.00000E+00 volume  3.10000E+06 ppm1      1.141 ppm2      3.250

 ASSI {  175}
   (( segid "   A" and resid 40   and name  HN  ))
   (( segid "   A" and resid 39   and name  HN  ))
      3.359     1.411     1.411 peak   175 weight  1.00000E+00 volume  1.85309E+07 ppm1      8.839 ppm2      9.210

 ASSI { 2444}
   (( segid "   A" and resid 40   and name  HN  ))
   (( segid "   A" and resid 39   and name  HB1 ))
      3.225     1.300     1.300 peak  2444 weight  1.00000E+00 volume  2.36600E+07 ppm1      8.838 ppm2      3.239

 ASSI { 1023}
   (( segid "   A" and resid 40   and name  HN  ))
   (  segid "   A" and resid 40   and name  HB# )
      2.260     0.639     0.639 peak  1023 weight  1.00000E+00 volume  1.55884E+08 ppm1      8.837 ppm2      1.018

 ASSI { 1022}
   (( segid "   A" and resid 40   and name  HN  ))
   (( segid "   A" and resid 40   and name  HA  ))
      2.743     0.941     0.941 peak  1022 weight  1.00000E+00 volume  6.24840E+07 ppm1      8.837 ppm2      4.606

 ASSI { 1467}
   (( segid "   A" and resid 40   and name  HN  ))
   (( segid "   A" and resid 124  and name  HB1 ))
      2.871     1.030     1.030 peak  1467 weight  1.00000E+00 volume  4.75531E+07 ppm1      8.837 ppm2      3.013

 ASSI { 2443}
   (( segid "   A" and resid 40   and name  HN  ))
   (( segid "   A" and resid 125  and name  HA  ))
      2.755     0.949     0.949 peak  2443 weight  1.00000E+00 volume  6.09000E+07 ppm1      8.840 ppm2      4.814

 ASSI { 4064}
   (( segid "   A" and resid 40   and name  HN  ))
   (  segid "   A" and resid 126  and name  HD1#)
      2.701     0.912     0.912 peak  4064 weight  1.00000E+00 volume  1.44100E+06 ppm1      1.142 ppm2      8.806

 ASSI { 1470}
   (( segid "   A" and resid 40   and name  HN  ))
   (  segid "   A" and resid 126  and name  HG2#)
      2.674     0.894     0.894 peak  1470 weight  1.00000E+00 volume  6.97325E+07 ppm1      8.836 ppm2      0.900

 ASSI {  168}
   (( segid "   A" and resid 40   and name  HN  ))
   (( segid "   A" and resid 126  and name  HN  ))
      2.899     1.050     1.050 peak   168 weight  1.00000E+00 volume  4.30315E+07 ppm1      8.839 ppm2      8.617

 ASSI { 2822}
   (  segid "   A" and resid 40   and name  HB# )
   (( segid "   A" and resid 126  and name  HN  ))
      2.773     0.962     0.962 peak  2822 weight  1.00000E+00 volume  5.85300E+07 ppm1      8.606 ppm2      1.023

 ASSI { 4292}
   (( segid "   A" and resid 42   and name  HN  ))
   (  segid "   A" and resid 41   and name  HB# )
      2.719     0.924     0.924 peak  4292 weight  1.00000E+00 volume  1.38432E+06 ppm1      1.583 ppm2      7.061

 ASSI {  482}
   (( segid "   A" and resid 42   and name  HN  ))
   (( segid "   A" and resid 41   and name  HA  ))
      2.287     0.654     0.654 peak   482 weight  1.00000E+00 volume  1.86182E+08 ppm1      7.058 ppm2      5.011

 ASSI { 2452}
   (( segid "   A" and resid 42   and name  HN  ))
   (( segid "   A" and resid 41   and name  HB2 ))
      2.662     0.886     0.886 peak  2452 weight  1.00000E+00 volume  7.47800E+07 ppm1      7.057 ppm2      1.555

 ASSI {  921}
   (( segid "   A" and resid 42   and name  HB1 ))
   (( segid "   A" and resid 42   and name  HA  ))
      2.945     1.084     1.084 peak   921 weight  1.00000E+00 volume  8.58516E+05 ppm1      2.494 ppm2      4.700

 ASSI {  910}
   (( segid "   A" and resid 42   and name  HB2 ))
   (( segid "   A" and resid 42   and name  HB1 ))
      2.499     0.781     0.781 peak   910 weight  1.00000E+00 volume  1.65213E+06 ppm1      3.248 ppm2      2.501

 ASSI { 1100}
   (( segid "   A" and resid 42   and name  HB2 ))
   (( segid "   A" and resid 42   and name  HN  ))
      3.069     1.177     1.177 peak  1100 weight  1.00000E+00 volume  3.18886E+07 ppm1      7.061 ppm2      3.267

 ASSI { 1102}
   (( segid "   A" and resid 42   and name  HA  ))
   (( segid "   A" and resid 42   and name  HN  ))
      3.065     1.174     1.174 peak  1102 weight  1.00000E+00 volume  3.21180E+07 ppm1      7.059 ppm2      4.722

 ASSI { 1487}
   (( segid "   A" and resid 42   and name  HD21))
   (( segid "   A" and resid 42   and name  HD22))
      2.160     0.583     0.583 peak  1487 weight  1.00000E+00 volume  2.61945E+08 ppm1      6.836 ppm2      7.449

 ASSI { 1489}
   (( segid "   A" and resid 42   and name  HB2 ))
   (( segid "   A" and resid 42   and name  HD22))
      2.874     1.033     1.033 peak  1489 weight  1.00000E+00 volume  4.72456E+07 ppm1      7.454 ppm2      3.273

 ASSI { 1490}
   (( segid "   A" and resid 42   and name  HB2 ))
   (( segid "   A" and resid 42   and name  HD21))
      2.923     1.068     1.068 peak  1490 weight  1.00000E+00 volume  4.26682E+07 ppm1      6.838 ppm2      3.271

 ASSI { 1500}
   (( segid "   A" and resid 42   and name  HN  ))
   (( segid "   A" and resid 42   and name  HD21))
      3.387     1.434     1.434 peak  1500 weight  1.00000E+00 volume  1.76303E+07 ppm1      6.832 ppm2      7.071

 ASSI { 2449}
   (( segid "   A" and resid 42   and name  HN  ))
   (( segid "   A" and resid 42   and name  HD22))
      3.423     1.465     1.465 peak  2449 weight  1.00000E+00 volume  1.65600E+07 ppm1      7.059 ppm2      7.431

 ASSI { 2451}
   (( segid "   A" and resid 42   and name  HB1 ))
   (( segid "   A" and resid 42   and name  HN  ))
      2.795     0.976     0.976 peak  2451 weight  1.00000E+00 volume  5.58800E+07 ppm1      7.060 ppm2      2.476

 ASSI { 2457}
   (( segid "   A" and resid 42   and name  HA  ))
   (( segid "   A" and resid 42   and name  HD22))
      3.229     1.303     1.303 peak  2457 weight  1.00000E+00 volume  2.35100E+07 ppm1      7.456 ppm2      4.750

 ASSI { 2459}
   (( segid "   A" and resid 42   and name  HB1 ))
   (( segid "   A" and resid 42   and name  HD22))
      2.788     0.971     0.971 peak  2459 weight  1.00000E+00 volume  5.67600E+07 ppm1      7.454 ppm2      2.477

 ASSI { 2858}
   (( segid "   A" and resid 42   and name  HB1 ))
   (( segid "   A" and resid 42   and name  HD21))
      2.834     1.004     1.004 peak  2858 weight  1.00000E+00 volume  5.14631E+07 ppm1      6.838 ppm2      2.471

 ASSI {  377}
   (( segid "   A" and resid 42   and name  HN  ))
   (( segid "   A" and resid 43   and name  HN  ))
      3.510     1.540     1.540 peak   377 weight  1.00000E+00 volume  1.42331E+07 ppm1      7.060 ppm2      8.861

 ASSI { 1103}
   (( segid "   A" and resid 42   and name  HA  ))
   (( segid "   A" and resid 43   and name  HN  ))
      2.671     0.892     0.892 peak  1103 weight  1.00000E+00 volume  7.33649E+07 ppm1      8.876 ppm2      4.738

 ASSI { 2465}
   (( segid "   A" and resid 42   and name  HB2 ))
   (( segid "   A" and resid 43   and name  HN  ))
      2.657     0.882     0.882 peak  2465 weight  1.00000E+00 volume  7.57210E+07 ppm1      8.878 ppm2      3.278

 ASSI { 1511}
   (( segid "   A" and resid 42   and name  HB2 ))
   (( segid "   A" and resid 44   and name  HN  ))
      2.986     1.114     1.114 peak  1511 weight  1.00000E+00 volume  3.75893E+07 ppm1      8.030 ppm2      3.284

 ASSI { 2234}
   (( segid "   A" and resid 42   and name  HN  ))
   (( segid "   A" and resid 44   and name  HN  ))
      3.409     1.452     1.452 peak  2234 weight  1.00000E+00 volume  1.69760E+07 ppm1      8.030 ppm2      7.066

 ASSI {  212}
   (( segid "   A" and resid 42   and name  HN  ))
   (( segid "   A" and resid 45   and name  HN  ))
      3.041     1.156     1.156 peak   212 weight  1.00000E+00 volume  2.59656E+07 ppm1      7.058 ppm2      8.070

 ASSI { 2471}
   (( segid "   A" and resid 42   and name  HB2 ))
   (( segid "   A" and resid 45   and name  HN  ))
      3.432     1.472     1.472 peak  2471 weight  1.00000E+00 volume  1.63100E+07 ppm1      8.077 ppm2      3.263

 ASSI { 3966}
   (( segid "   A" and resid 42   and name  HB2 ))
   (  segid "   A" and resid 112  and name  HD1#)
      2.197     0.604     0.604 peak  3966 weight  1.00000E+00 volume  4.97300E+06 ppm1      0.859 ppm2      3.236

 ASSI { 4040}
   (( segid "   A" and resid 42   and name  HB1 ))
   (  segid "   A" and resid 125  and name  HG2#)
      2.689     0.904     0.904 peak  4040 weight  1.00000E+00 volume  1.48200E+06 ppm1      1.386 ppm2      2.489

 ASSI {  213}
   (( segid "   A" and resid 42   and name  HN  ))
   (( segid "   A" and resid 126  and name  HN  ))
      2.905     1.055     1.055 peak   213 weight  1.00000E+00 volume  2.40878E+07 ppm1      7.061 ppm2      8.606

 ASSI { 2563}
   (( segid "   A" and resid 42   and name  HN  ))
   (( segid "   A" and resid 128  and name  HN  ))
      3.039     1.155     1.155 peak  2563 weight  1.00000E+00 volume  3.37900E+07 ppm1      7.342 ppm2      7.058

 ASSI {  665}
   (( segid "   A" and resid 43   and name  HA  ))
   (( segid "   A" and resid 43   and name  HN  ))
      2.735     0.935     0.935 peak   665 weight  1.00000E+00 volume  6.36959E+07 ppm1      8.873 ppm2      4.664

 ASSI {  666}
   (( segid "   A" and resid 43   and name  HN  ))
   (( segid "   A" and resid 43   and name  HB1 ))
      2.727     0.929     0.929 peak   666 weight  1.00000E+00 volume  6.48263E+07 ppm1      8.874 ppm2      2.657

 ASSI { 1105}
   (( segid "   A" and resid 43   and name  HN  ))
   (( segid "   A" and resid 43   and name  HB2 ))
      2.476     0.766     0.766 peak  1105 weight  1.00000E+00 volume  1.15598E+08 ppm1      8.878 ppm2      2.488

 ASSI { 2467}
   (( segid "   A" and resid 43   and name  HA  ))
   (( segid "   A" and resid 44   and name  HN  ))
      2.731     0.932     0.932 peak  2467 weight  1.00000E+00 volume  6.42500E+07 ppm1      8.029 ppm2      4.632

 ASSI {  131}
   (( segid "   A" and resid 43   and name  HN  ))
   (( segid "   A" and resid 44   and name  HN  ))
      2.642     0.872     0.872 peak   131 weight  1.00000E+00 volume  4.49855E+07 ppm1      8.877 ppm2      8.033

 ASSI { 1507}
   (( segid "   A" and resid 44   and name  HN  ))
   (( segid "   A" and resid 42   and name  HD21))
      3.070     1.178     1.178 peak  1507 weight  1.00000E+00 volume  3.18080E+07 ppm1      8.027 ppm2      6.834

 ASSI { 2458}
   (( segid "   A" and resid 44   and name  HB2 ))
   (( segid "   A" and resid 42   and name  HD22))
      3.147     1.238     1.238 peak  2458 weight  1.00000E+00 volume  2.74300E+07 ppm1      7.451 ppm2      2.667

 ASSI { 2460}
   (( segid "   A" and resid 44   and name  HB2 ))
   (( segid "   A" and resid 42   and name  HD21))
      3.101     1.202     1.202 peak  2460 weight  1.00000E+00 volume  2.99500E+07 ppm1      6.846 ppm2      2.655

 ASSI { 2846}
   (( segid "   A" and resid 44   and name  HN  ))
   (( segid "   A" and resid 43   and name  HB2 ))
      2.456     0.754     0.754 peak  2846 weight  1.00000E+00 volume  1.21300E+08 ppm1      8.028 ppm2      2.530

 ASSI {  196}
   (( segid "   A" and resid 44   and name  HB1 ))
   (( segid "   A" and resid 44   and name  HA  ))
      2.069     0.535     0.535 peak   196 weight  1.00000E+00 volume  3.89807E+06 ppm1      2.695 ppm2      4.386

 ASSI { 3438}
   (( segid "   A" and resid 44   and name  HB2 ))
   (( segid "   A" and resid 44   and name  HA  ))
      2.288     0.655     0.655 peak  3438 weight  1.00000E+00 volume  3.89800E+06 ppm1      2.695 ppm2      4.386

 ASSI {  662}
   (( segid "   A" and resid 44   and name  HB1 ))
   (( segid "   A" and resid 44   and name  HN  ))
      2.065     0.533     0.533 peak   662 weight  1.00000E+00 volume  3.43990E+08 ppm1      8.028 ppm2      2.676

 ASSI {  667}
   (( segid "   A" and resid 44   and name  HA  ))
   (( segid "   A" and resid 44   and name  HN  ))
      2.282     0.651     0.651 peak   667 weight  1.00000E+00 volume  1.88837E+08 ppm1      8.027 ppm2      4.372

 ASSI { 1108}
   (( segid "   A" and resid 44   and name  HB2 ))
   (( segid "   A" and resid 44   and name  HN  ))
      2.085     0.543     0.543 peak  1108 weight  1.00000E+00 volume  3.24596E+08 ppm1      8.029 ppm2      2.618

 ASSI { 2238}
   (  segid "   A" and resid 44   and name  HB# )
   (( segid "   A" and resid 44   and name  HN  ))
      2.233     0.623     0.623 peak  2238 weight  1.00000E+00 volume  2.14656E+08 ppm1      8.029 ppm2      2.656

 ASSI {  485}
   (( segid "   A" and resid 44   and name  HA  ))
   (( segid "   A" and resid 45   and name  HN  ))
      2.753     0.947     0.947 peak   485 weight  1.00000E+00 volume  6.11763E+07 ppm1      8.080 ppm2      4.377

 ASSI { 1109}
   (( segid "   A" and resid 44   and name  HB2 ))
   (( segid "   A" and resid 45   and name  HN  ))
      2.485     0.772     0.772 peak  1109 weight  1.00000E+00 volume  1.13116E+08 ppm1      8.079 ppm2      2.622

 ASSI { 1110}
   (( segid "   A" and resid 44   and name  HA  ))
   (( segid "   A" and resid 46   and name  HN  ))
      3.144     1.236     1.236 peak  1110 weight  1.00000E+00 volume  2.75710E+07 ppm1      7.923 ppm2      4.393

 ASSI { 3618}
   (( segid "   A" and resid 44   and name  HA  ))
   (  segid "   A" and resid 47   and name  HB# )
      1.895     0.449     0.449 peak  3618 weight  1.00000E+00 volume  1.20800E+07 ppm1      4.392 ppm2      1.586

 ASSI { 3619}
   (  segid "   A" and resid 45   and name  HB# )
   (( segid "   A" and resid 41   and name  HB2 ))
      2.033     0.516     0.516 peak  3619 weight  1.00000E+00 volume  7.93600E+06 ppm1      1.349 ppm2      1.563

 ASSI { 3626}
   (  segid "   A" and resid 45   and name  HB# )
   (( segid "   A" and resid 41   and name  HA  ))
      2.591     0.839     0.839 peak  3626 weight  1.00000E+00 volume  1.85000E+06 ppm1      1.348 ppm2      5.039

 ASSI { 2453}
   (  segid "   A" and resid 45   and name  HB# )
   (( segid "   A" and resid 42   and name  HN  ))
      2.322     0.674     0.674 peak  2453 weight  1.00000E+00 volume  1.69800E+08 ppm1      7.058 ppm2      1.338

 ASSI { 2450}
   (( segid "   A" and resid 45   and name  HA  ))
   (( segid "   A" and resid 42   and name  HN  ))
      3.636     1.652     1.652 peak  2450 weight  1.00000E+00 volume  1.15300E+07 ppm1      7.053 ppm2      4.035

 ASSI { 2461}
   (  segid "   A" and resid 45   and name  HB# )
   (( segid "   A" and resid 42   and name  HD22))
      2.858     1.021     1.021 peak  2461 weight  1.00000E+00 volume  4.89000E+07 ppm1      7.454 ppm2      1.347

 ASSI { 2462}
   (  segid "   A" and resid 45   and name  HB# )
   (( segid "   A" and resid 42   and name  HD21))
      2.885     1.040     1.040 peak  2462 weight  1.00000E+00 volume  4.62000E+07 ppm1      6.838 ppm2      1.346

 ASSI { 2287}
   (( segid "   A" and resid 45   and name  HN  ))
   (( segid "   A" and resid 43   and name  HN  ))
      3.242     1.314     1.314 peak  2287 weight  1.00000E+00 volume  2.29400E+07 ppm1      8.076 ppm2      8.867

 ASSI { 2470}
   (( segid "   A" and resid 45   and name  HN  ))
   (( segid "   A" and resid 43   and name  HA  ))
      3.076     1.182     1.182 peak  2470 weight  1.00000E+00 volume  3.14700E+07 ppm1      8.082 ppm2      4.626

 ASSI {  671}
   (  segid "   A" and resid 45   and name  HB# )
   (( segid "   A" and resid 44   and name  HN  ))
      2.809     0.987     0.987 peak   671 weight  1.00000E+00 volume  5.41805E+07 ppm1      8.029 ppm2      1.340

 ASSI {  671}
   (( segid "   A" and resid 45   and name  HA  ))
   (  segid "   A" and resid 45   and name  HB# )
      1.921     0.461     0.461 peak   671 weight  1.00000E+00 volume  1.11294E+07 ppm1      4.051 ppm2      1.344

 ASSI {  668}
   (( segid "   A" and resid 45   and name  HA  ))
   (( segid "   A" and resid 45   and name  HN  ))
      2.429     0.738     0.738 peak   668 weight  1.00000E+00 volume  1.29618E+08 ppm1      8.078 ppm2      4.043

 ASSI {  669}
   (  segid "   A" and resid 45   and name  HB# )
   (( segid "   A" and resid 45   and name  HN  ))
      2.124     0.564     0.564 peak   669 weight  1.00000E+00 volume  2.90013E+08 ppm1      8.079 ppm2      1.336

 ASSI {  487}
   (  segid "   A" and resid 45   and name  HB# )
   (( segid "   A" and resid 46   and name  HN  ))
      2.345     0.687     0.687 peak   487 weight  1.00000E+00 volume  1.60172E+08 ppm1      7.924 ppm2      1.337

 ASSI {  688}
   (( segid "   A" and resid 45   and name  HN  ))
   (( segid "   A" and resid 46   and name  HB1 ))
      3.188     1.271     1.271 peak   688 weight  1.00000E+00 volume  2.53679E+07 ppm1      8.078 ppm2      2.957

 ASSI {  689}
   (( segid "   A" and resid 45   and name  HN  ))
   (( segid "   A" and resid 46   and name  HB2 ))
      3.238     1.310     1.310 peak   689 weight  1.00000E+00 volume  2.31280E+07 ppm1      8.077 ppm2      3.093

 ASSI {  198}
   (( segid "   A" and resid 45   and name  HN  ))
   (( segid "   A" and resid 46   and name  HN  ))
      2.207     0.609     0.609 peak   198 weight  1.00000E+00 volume  2.30477E+08 ppm1      7.925 ppm2      8.086

 ASSI { 2482}
   (  segid "   A" and resid 45   and name  HB# )
   (( segid "   A" and resid 47   and name  HN  ))
      2.927     1.071     1.071 peak  2482 weight  1.00000E+00 volume  4.23400E+07 ppm1      8.111 ppm2      1.338

 ASSI {  672}
   (( segid "   A" and resid 45   and name  HA  ))
   (( segid "   A" and resid 48   and name  HG2 ))
      2.362     0.698     0.698 peak   672 weight  1.00000E+00 volume  3.22097E+06 ppm1      4.054 ppm2      1.867

 ASSI { 3620}
   (  segid "   A" and resid 45   and name  HB# )
   (( segid "   A" and resid 48   and name  HG2 ))
      2.548     0.812     0.812 peak  3620 weight  1.00000E+00 volume  2.04600E+06 ppm1      1.351 ppm2      1.856

 ASSI { 3635}
   (( segid "   A" and resid 45   and name  HA  ))
   (( segid "   A" and resid 48   and name  HB2 ))
      2.651     0.878     0.878 peak  3635 weight  1.00000E+00 volume  1.61300E+06 ppm1      2.004 ppm2      4.030

 ASSI { 1111}
   (( segid "   A" and resid 45   and name  HA  ))
   (( segid "   A" and resid 48   and name  HN  ))
      3.204     1.284     1.284 peak  1111 weight  1.00000E+00 volume  2.46052E+07 ppm1      7.209 ppm2      4.059

 ASSI { 3625}
   (  segid "   A" and resid 45   and name  HB# )
   (( segid "   A" and resid 127  and name  HA  ))
      2.316     0.671     0.671 peak  3625 weight  1.00000E+00 volume  3.62600E+06 ppm1      1.351 ppm2      4.561

 ASSI {  676}
   (( segid "   A" and resid 45   and name  HA  ))
   (( segid "   A" and resid 128  and name  HA  ))
      2.423     0.734     0.734 peak   676 weight  1.00000E+00 volume  2.76528E+06 ppm1      4.052 ppm2      4.438

 ASSI { 3624}
   (  segid "   A" and resid 45   and name  HB# )
   (( segid "   A" and resid 128  and name  HA  ))
      2.341     0.685     0.685 peak  3624 weight  1.00000E+00 volume  3.40400E+06 ppm1      1.349 ppm2      4.468

 ASSI { 1699}
   (( segid "   A" and resid 45   and name  HA  ))
   (( segid "   A" and resid 128  and name  HN  ))
      3.217     1.294     1.294 peak  1699 weight  1.00000E+00 volume  2.40303E+07 ppm1      7.342 ppm2      4.050

 ASSI { 2831}
   (( segid "   A" and resid 45   and name  HA  ))
   (( segid "   A" and resid 129  and name  HN  ))
      3.160     1.248     1.248 peak  2831 weight  1.00000E+00 volume  2.67600E+07 ppm1      8.821 ppm2      4.048

 ASSI { 2834}
   (  segid "   A" and resid 45   and name  HB# )
   (( segid "   A" and resid 129  and name  HN  ))
      2.594     0.841     0.841 peak  2834 weight  1.00000E+00 volume  8.74200E+07 ppm1      8.822 ppm2      1.337

 ASSI {  692}
   (( segid "   A" and resid 46   and name  HN  ))
   (( segid "   A" and resid 41   and name  HB2 ))
      2.718     0.924     0.924 peak   692 weight  1.00000E+00 volume  6.60190E+07 ppm1      7.924 ppm2      1.564

 ASSI { 3630}
   (( segid "   A" and resid 46   and name  HB2 ))
   (( segid "   A" and resid 43   and name  HA  ))
      2.475     0.766     0.766 peak  3630 weight  1.00000E+00 volume  2.43700E+06 ppm1      3.147 ppm2      4.611

 ASSI { 2476}
   (( segid "   A" and resid 46   and name  HN  ))
   (( segid "   A" and resid 43   and name  HA  ))
      2.677     0.896     0.896 peak  2476 weight  1.00000E+00 volume  7.24000E+07 ppm1      7.923 ppm2      4.622

 ASSI { 2477}
   (( segid "   A" and resid 46   and name  HN  ))
   (( segid "   A" and resid 43   and name  HB1 ))
      3.645     1.661     1.661 peak  2477 weight  1.00000E+00 volume  1.13500E+07 ppm1      7.924 ppm2      2.650

 ASSI {  969}
   (( segid "   A" and resid 46   and name  HA  ))
   (( segid "   A" and resid 46   and name  HB2 ))
      2.535     0.803     0.803 peak   969 weight  1.00000E+00 volume  2.10882E+06 ppm1      4.065 ppm2      3.153

 ASSI {  970}
   (( segid "   A" and resid 46   and name  HA  ))
   (( segid "   A" and resid 46   and name  HB1 ))
      2.637     0.869     0.869 peak   970 weight  1.00000E+00 volume  1.66593E+06 ppm1      4.065 ppm2      2.996

 ASSI {  983}
   (( segid "   A" and resid 46   and name  HN  ))
   (( segid "   A" and resid 46   and name  HB1 ))
      2.903     1.054     1.054 peak   983 weight  1.00000E+00 volume  9.34596E+05 ppm1      2.985 ppm2      7.900

 ASSI {  685}
   (( segid "   A" and resid 46   and name  HA  ))
   (( segid "   A" and resid 46   and name  HN  ))
      2.407     0.724     0.724 peak   685 weight  1.00000E+00 volume  1.36838E+08 ppm1      7.923 ppm2      4.051

 ASSI {  687}
   (( segid "   A" and resid 46   and name  HN  ))
   (( segid "   A" and resid 46   and name  HB2 ))
      2.481     0.769     0.769 peak   687 weight  1.00000E+00 volume  1.14296E+08 ppm1      7.924 ppm2      3.126

 ASSI {  201}
   (( segid "   A" and resid 46   and name  HN  ))
   (( segid "   A" and resid 47   and name  HN  ))
      2.239     0.627     0.627 peak   201 weight  1.00000E+00 volume  2.11341E+08 ppm1      7.926 ppm2      8.098

 ASSI {  489}
   (( segid "   A" and resid 46   and name  HB2 ))
   (( segid "   A" and resid 47   and name  HN  ))
      2.815     0.990     0.990 peak   489 weight  1.00000E+00 volume  5.35693E+07 ppm1      8.111 ppm2      3.113

 ASSI {  490}
   (( segid "   A" and resid 46   and name  HB1 ))
   (( segid "   A" and resid 47   and name  HN  ))
      2.761     0.953     0.953 peak   490 weight  1.00000E+00 volume  6.00716E+07 ppm1      8.111 ppm2      2.957

 ASSI { 2901}
   (( segid "   A" and resid 46   and name  HA  ))
   (( segid "   A" and resid 47   and name  HN  ))
      2.435     0.741     0.741 peak  2901 weight  1.00000E+00 volume  1.27818E+08 ppm1      8.096 ppm2      4.032
 OR { 2901}
   (( segid "   A" and resid 29   and name  HA  ))
   (( segid "   A" and resid 29   and name  HN  ))

 ASSI { 3641}
   (( segid "   A" and resid 46   and name  HA  ))
   (  segid "   A" and resid 49   and name  HD1#)
      2.420     0.732     0.732 peak  3641 weight  1.00000E+00 volume  2.78500E+06 ppm1      1.023 ppm2      4.046

 ASSI { 3667}
   (( segid "   A" and resid 46   and name  HA  ))
   (( segid "   A" and resid 49   and name  HG  ))
      2.419     0.732     0.732 peak  3667 weight  1.00000E+00 volume  2.79300E+06 ppm1      4.064 ppm2      1.963

 ASSI { 2478}
   (( segid "   A" and resid 46   and name  HN  ))
   (( segid "   A" and resid 49   and name  HG  ))
      3.278     1.343     1.343 peak  2478 weight  1.00000E+00 volume  2.14800E+07 ppm1      7.923 ppm2      1.917

 ASSI { 2484}
   (( segid "   A" and resid 46   and name  HN  ))
   (( segid "   A" and resid 49   and name  HN  ))
      3.739     1.747     1.747 peak  2484 weight  1.00000E+00 volume  9.75400E+06 ppm1      7.380 ppm2      7.920

 ASSI { 2486}
   (( segid "   A" and resid 46   and name  HA  ))
   (( segid "   A" and resid 49   and name  HN  ))
      2.875     1.033     1.033 peak  2486 weight  1.00000E+00 volume  4.72000E+07 ppm1      7.381 ppm2      4.035

 ASSI { 1530}
   (( segid "   A" and resid 47   and name  HN  ))
   (( segid "   A" and resid 43   and name  HB1 ))
      3.230     1.304     1.304 peak  1530 weight  1.00000E+00 volume  2.34641E+07 ppm1      8.110 ppm2      2.650
 OR { 1530}
   (  segid "   A" and resid 44   and name  HB# )
   (( segid "   A" and resid 47   and name  HN  ))

 ASSI { 2241}
   (  segid "   A" and resid 47   and name  HB# )
   (( segid "   A" and resid 44   and name  HN  ))
      3.064     1.174     1.174 peak  2241 weight  1.00000E+00 volume  3.21657E+07 ppm1      8.028 ppm2      1.565
 OR { 2241}
   (( segid "   A" and resid 48   and name  HG1 ))
   (( segid "   A" and resid 44   and name  HN  ))

 ASSI {  985}
   (( segid "   A" and resid 47   and name  HA  ))
   (  segid "   A" and resid 47   and name  HB# )
      1.710     0.366     0.366 peak   985 weight  1.00000E+00 volume  1.26754E+07 ppm1      4.318 ppm2      1.588

 ASSI {  986}
   (( segid "   A" and resid 47   and name  HA  ))
   (( segid "   A" and resid 47   and name  HN  ))
      2.419     0.731     0.731 peak   986 weight  1.00000E+00 volume  2.79359E+06 ppm1      4.318 ppm2      8.113

 ASSI {  691}
   (  segid "   A" and resid 47   and name  HB# )
   (( segid "   A" and resid 47   and name  HN  ))
      1.907     0.455     0.455 peak   691 weight  1.00000E+00 volume  3.78898E+08 ppm1      8.112 ppm2      1.567

 ASSI { 3633}
   (  segid "   A" and resid 47   and name  HB# )
   (( segid "   A" and resid 48   and name  HN  ))
      2.371     0.703     0.703 peak  3633 weight  1.00000E+00 volume  3.15300E+06 ppm1      1.591 ppm2      7.211

 ASSI {  203}
   (( segid "   A" and resid 47   and name  HN  ))
   (( segid "   A" and resid 48   and name  HN  ))
      2.437     0.742     0.742 peak   203 weight  1.00000E+00 volume  1.27125E+08 ppm1      8.113 ppm2      7.214

 ASSI { 1535}
   (( segid "   A" and resid 47   and name  HN  ))
   (( segid "   A" and resid 49   and name  HN  ))
      2.805     0.983     0.983 peak  1535 weight  1.00000E+00 volume  2.35270E+07 ppm1      7.376 ppm2      8.098

 ASSI {  694}
   (( segid "   A" and resid 48   and name  HA  ))
   (( segid "   A" and resid 48   and name  HN  ))
      2.369     0.702     0.702 peak   694 weight  1.00000E+00 volume  5.75797E+07 ppm1      7.209 ppm2      4.251

 ASSI { 1001}
   (( segid "   A" and resid 48   and name  HG1 ))
   (( segid "   A" and resid 48   and name  HB1 ))
      2.406     0.724     0.724 peak  1001 weight  1.00000E+00 volume  2.88616E+06 ppm1      2.007 ppm2      1.539

 ASSI { 1002}
   (( segid "   A" and resid 48   and name  HG1 ))
   (( segid "   A" and resid 48   and name  HB2 ))
      2.388     0.713     0.713 peak  1002 weight  1.00000E+00 volume  3.01556E+06 ppm1      1.931 ppm2      1.548

 ASSI { 1003}
   (( segid "   A" and resid 48   and name  HG2 ))
   (( segid "   A" and resid 48   and name  HB1 ))
      1.963     0.482     0.482 peak  1003 weight  1.00000E+00 volume  9.78187E+06 ppm1      2.009 ppm2      1.836

 ASSI { 1005}
   (( segid "   A" and resid 48   and name  HB1 ))
   (( segid "   A" and resid 48   and name  HB2 ))
      1.630     0.332     0.332 peak  1005 weight  1.00000E+00 volume  2.98968E+07 ppm1      2.007 ppm2      1.928

 ASSI { 1009}
   (( segid "   A" and resid 48   and name  HA  ))
   (( segid "   A" and resid 48   and name  HB1 ))
      1.840     0.423     0.423 peak  1009 weight  1.00000E+00 volume  2.48448E+06 ppm1      2.007 ppm2      4.267

 ASSI { 1014}
   (( segid "   A" and resid 48   and name  HG1 ))
   (  segid "   A" and resid 48   and name  HD# )
      2.015     0.508     0.508 peak  1014 weight  1.00000E+00 volume  8.35992E+06 ppm1      1.815 ppm2      1.546

 ASSI { 1016}
   (  segid "   A" and resid 48   and name  HD# )
   (  segid "   A" and resid 48   and name  HE# )
      1.981     0.490     0.490 peak  1016 weight  1.00000E+00 volume  6.82327E+06 ppm1      1.816 ppm2      3.071

 ASSI { 1028}
   (( segid "   A" and resid 48   and name  HB1 ))
   (( segid "   A" and resid 48   and name  HE1 ))
      2.595     0.842     0.842 peak  1028 weight  1.00000E+00 volume  1.83178E+06 ppm1      3.092 ppm2      1.992

 ASSI { 1034}
   (( segid "   A" and resid 48   and name  HG2 ))
   (( segid "   A" and resid 48   and name  HG1 ))
      1.933     0.467     0.467 peak  1034 weight  1.00000E+00 volume  1.07482E+07 ppm1      1.536 ppm2      1.848

 ASSI { 1037}
   (( segid "   A" and resid 48   and name  HG2 ))
   (  segid "   A" and resid 48   and name  HE# )
      3.039     1.154     1.154 peak  1037 weight  1.00000E+00 volume  7.10869E+05 ppm1      1.850 ppm2      3.108

 ASSI { 1038}
   (( segid "   A" and resid 48   and name  HG1 ))
   (  segid "   A" and resid 48   and name  HE# )
      2.688     0.903     0.903 peak  1038 weight  1.00000E+00 volume  1.48380E+06 ppm1      1.534 ppm2      3.104

 ASSI { 1039}
   (( segid "   A" and resid 48   and name  HG2 ))
   (( segid "   A" and resid 48   and name  HA  ))
      2.894     1.047     1.047 peak  1039 weight  1.00000E+00 volume  9.53330E+05 ppm1      1.853 ppm2      4.261

 ASSI { 1040}
   (( segid "   A" and resid 48   and name  HG1 ))
   (( segid "   A" and resid 48   and name  HA  ))
      2.487     0.773     0.773 peak  1040 weight  1.00000E+00 volume  2.36729E+06 ppm1      1.538 ppm2      4.269

 ASSI { 3637}
   (( segid "   A" and resid 48   and name  HA  ))
   (( segid "   A" and resid 48   and name  HB2 ))
      2.743     0.941     0.941 peak  3637 weight  1.00000E+00 volume  1.31300E+06 ppm1      1.929 ppm2      4.272

 ASSI {  695}
   (( segid "   A" and resid 48   and name  HN  ))
   (( segid "   A" and resid 48   and name  HB2 ))
      2.617     0.856     0.856 peak   695 weight  1.00000E+00 volume  8.29952E+07 ppm1      7.208 ppm2      1.894

 ASSI {  696}
   (( segid "   A" and resid 48   and name  HN  ))
   (( segid "   A" and resid 48   and name  HB1 ))
      2.720     0.925     0.925 peak   696 weight  1.00000E+00 volume  6.58157E+07 ppm1      7.208 ppm2      1.982

 ASSI {  206}
   (( segid "   A" and resid 48   and name  HN  ))
   (( segid "   A" and resid 49   and name  HN  ))
      2.412     0.727     0.727 peak   206 weight  1.00000E+00 volume  4.61737E+07 ppm1      7.209 ppm2      7.373

 ASSI {  493}
   (( segid "   A" and resid 48   and name  HA  ))
   (( segid "   A" and resid 49   and name  HN  ))
      2.614     0.854     0.854 peak   493 weight  1.00000E+00 volume  8.34034E+07 ppm1      7.379 ppm2      4.269

 ASSI {  494}
   (( segid "   A" and resid 48   and name  HB2 ))
   (( segid "   A" and resid 49   and name  HN  ))
      2.225     0.619     0.619 peak   494 weight  1.00000E+00 volume  2.19733E+08 ppm1      7.380 ppm2      1.919

 ASSI { 1540}
   (  segid "   A" and resid 48   and name  HE# )
   (( segid "   A" and resid 49   and name  HN  ))
      3.681     1.694     1.694 peak  1540 weight  1.00000E+00 volume  1.07114E+07 ppm1      7.377 ppm2      3.099

 ASSI { 2488}
   (( segid "   A" and resid 48   and name  HG1 ))
   (( segid "   A" and resid 49   and name  HN  ))
      2.908     1.057     1.057 peak  2488 weight  1.00000E+00 volume  4.40100E+07 ppm1      7.383 ppm2      1.562

 ASSI { 4225}
   (  segid "   A" and resid 48   and name  HD# )
   (( segid "   A" and resid 50   and name  HD1 ))
      3.404     1.448     1.448 peak  4225 weight  1.00000E+00 volume  3.60057E+05 ppm1      3.982 ppm2      1.820

 ASSI { 1024}
   (  segid "   A" and resid 48   and name  HE# )
   (  segid "   A" and resid 128  and name  HG2#)
      2.513     0.789     0.789 peak  1024 weight  1.00000E+00 volume  1.67634E+06 ppm1      3.098 ppm2      1.186

 ASSI { 4079}
   (( segid "   A" and resid 48   and name  HG2 ))
   (  segid "   A" and resid 128  and name  HG2#)
      2.355     0.693     0.693 peak  4079 weight  1.00000E+00 volume  3.28000E+06 ppm1      1.196 ppm2      1.868

 ASSI { 2832}
   (( segid "   A" and resid 48   and name  HB2 ))
   (( segid "   A" and resid 129  and name  HN  ))
      3.188     1.270     1.270 peak  2832 weight  1.00000E+00 volume  2.53800E+07 ppm1      8.822 ppm2      1.902

 ASSI { 1043}
   (( segid "   A" and resid 49   and name  HB1 ))
   (( segid "   A" and resid 49   and name  HB2 ))
      2.489     0.774     0.774 peak  1043 weight  1.00000E+00 volume  2.17362E+06 ppm1      2.063 ppm2      1.335

 ASSI { 1045}
   (( segid "   A" and resid 49   and name  HB1 ))
   (  segid "   A" and resid 49   and name  HD1#)
      2.367     0.700     0.700 peak  1045 weight  1.00000E+00 volume  3.18185E+06 ppm1      2.069 ppm2      0.980

 ASSI { 1047}
   (  segid "   A" and resid 49   and name  HD2#)
   (( segid "   A" and resid 49   and name  HN  ))
      2.366     0.700     0.700 peak  1047 weight  1.00000E+00 volume  3.19256E+06 ppm1      0.918 ppm2      7.383

 ASSI { 1048}
   (  segid "   A" and resid 49   and name  HD2#)
   (( segid "   A" and resid 49   and name  HA  ))
      2.082     0.542     0.542 peak  1048 weight  1.00000E+00 volume  6.86788E+06 ppm1      0.918 ppm2      4.527

 ASSI { 1046}
   (( segid "   A" and resid 49   and name  HB2 ))
   (  segid "   A" and resid 49   and name  HD1#)
      2.238     0.626     0.626 peak  1046 weight  1.00000E+00 volume  2.09115E+06 ppm1      1.338 ppm2      0.984

 ASSI { 1061}
   (  segid "   A" and resid 49   and name  HD1#)
   (( segid "   A" and resid 49   and name  HA  ))
      2.748     0.944     0.944 peak  1061 weight  1.00000E+00 volume  1.29940E+06 ppm1      1.023 ppm2      4.533

 ASSI { 1068}
   (( segid "   A" and resid 49   and name  HB2 ))
   (( segid "   A" and resid 49   and name  HG  ))
      2.371     0.702     0.702 peak  1068 weight  1.00000E+00 volume  3.15468E+06 ppm1      1.941 ppm2      1.345

 ASSI { 1077}
   (( segid "   A" and resid 49   and name  HN  ))
   (( segid "   A" and resid 49   and name  HG  ))
      2.695     0.908     0.908 peak  1077 weight  1.00000E+00 volume  1.46270E+06 ppm1      1.935 ppm2      7.382

 ASSI { 3644}
   (  segid "   A" and resid 49   and name  HD2#)
   (( segid "   A" and resid 49   and name  HG  ))
      2.085     0.543     0.543 peak  3644 weight  1.00000E+00 volume  6.82200E+06 ppm1      1.934 ppm2      0.956

 ASSI { 1059}
   (  segid "   A" and resid 49   and name  HD1#)
   (( segid "   A" and resid 49   and name  HG  ))
      2.119     0.561     0.561 peak  1059 weight  1.00000E+00 volume  6.18327E+06 ppm1      1.023 ppm2      1.958

 ASSI {  495}
   (( segid "   A" and resid 49   and name  HB1 ))
   (( segid "   A" and resid 49   and name  HN  ))
      2.327     0.677     0.677 peak   495 weight  1.00000E+00 volume  1.67939E+08 ppm1      7.380 ppm2      2.036

 ASSI { 2485}
   (( segid "   A" and resid 49   and name  HN  ))
   (( segid "   A" and resid 49   and name  HA  ))
      2.618     0.857     0.857 peak  2485 weight  1.00000E+00 volume  8.26600E+07 ppm1      7.379 ppm2      4.501

 ASSI { 4222}
   (( segid "   A" and resid 49   and name  HB1 ))
   (( segid "   A" and resid 50   and name  HD2 ))
      2.094     0.548     0.548 peak  4222 weight  1.00000E+00 volume  6.64830E+06 ppm1      3.512 ppm2      2.074
 OR { 4222}
   (  segid "   A" and resid 97   and name  HG# )
   (( segid "   A" and resid 97   and name  HD2 ))
 OR { 4222}
   (( segid "   A" and resid 97   and name  HG1 ))
   (( segid "   A" and resid 97   and name  HD1 ))

 ASSI { 4223}
   (( segid "   A" and resid 49   and name  HB1 ))
   (( segid "   A" and resid 50   and name  HD1 ))
      2.243     0.629     0.629 peak  4223 weight  1.00000E+00 volume  4.39701E+06 ppm1      3.978 ppm2      2.074

 ASSI { 4229}
   (( segid "   A" and resid 49   and name  HB2 ))
   (( segid "   A" and resid 50   and name  HD2 ))
      2.422     0.733     0.733 peak  4229 weight  1.00000E+00 volume  2.77481E+06 ppm1      3.505 ppm2      1.315

 ASSI { 4230}
   (( segid "   A" and resid 49   and name  HB2 ))
   (( segid "   A" and resid 50   and name  HD1 ))
      2.934     1.076     1.076 peak  4230 weight  1.00000E+00 volume  8.78241E+05 ppm1      3.980 ppm2      1.309

 ASSI { 4088}
   (  segid "   A" and resid 49   and name  HD2#)
   (( segid "   A" and resid 129  and name  HB  ))
      2.363     0.698     0.698 peak  4088 weight  1.00000E+00 volume  3.21600E+06 ppm1      1.773 ppm2      0.950

 ASSI { 2447}
   (  segid "   A" and resid 49   and name  HD2#)
   (( segid "   A" and resid 129  and name  HN  ))
      2.694     0.907     0.907 peak  2447 weight  1.00000E+00 volume  6.97300E+07 ppm1      8.836 ppm2      0.900
 OR { 2447}
   (( segid "   A" and resid 40   and name  HN  ))
   (  segid "   A" and resid 126  and name  HG2#)

 ASSI { 4219}
   (( segid "   A" and resid 50   and name  HD1 ))
   (( segid "   A" and resid 50   and name  HD2 ))
      2.277     0.648     0.648 peak  4219 weight  1.00000E+00 volume  4.01611E+06 ppm1      3.512 ppm2      3.975

 ASSI { 1081}
   (( segid "   A" and resid 52   and name  HA1 ))
   (( segid "   A" and resid 52   and name  HA2 ))
      2.086     0.544     0.544 peak  1081 weight  1.00000E+00 volume  6.39418E+06 ppm1      4.315 ppm2      3.796

 ASSI { 1011}
   (( segid "   A" and resid 52   and name  HA1 ))
   (( segid "   A" and resid 53   and name  HN  ))
      2.827     0.999     0.999 peak  1011 weight  1.00000E+00 volume  5.21812E+07 ppm1      8.091 ppm2      4.304

 ASSI { 1114}
   (( segid "   A" and resid 52   and name  HA2 ))
   (( segid "   A" and resid 53   and name  HN  ))
      2.940     1.080     1.080 peak  1114 weight  1.00000E+00 volume  4.12907E+07 ppm1      8.090 ppm2      3.766

 ASSI { 1551}
   (( segid "   A" and resid 52   and name  HA2 ))
   (( segid "   A" and resid 54   and name  HN  ))
      3.188     1.270     1.270 peak  1551 weight  1.00000E+00 volume  2.53808E+07 ppm1      8.661 ppm2      3.902

 ASSI { 2494}
   (( segid "   A" and resid 52   and name  HA2 ))
   (( segid "   A" and resid 55   and name  HN  ))
      3.347     1.400     1.400 peak  2494 weight  1.00000E+00 volume  1.89500E+07 ppm1      7.872 ppm2      4.311

 ASSI { 1215}
   (( segid "   A" and resid 53   and name  HB  ))
   (( segid "   A" and resid 53   and name  HA  ))
      2.765     0.956     0.956 peak  1215 weight  1.00000E+00 volume  1.25215E+06 ppm1      3.935 ppm2      4.175

 ASSI { 1216}
   (( segid "   A" and resid 53   and name  HB  ))
   (  segid "   A" and resid 53   and name  HG2#)
      2.377     0.706     0.706 peak  1216 weight  1.00000E+00 volume  3.10569E+06 ppm1      4.210 ppm2      1.228

 ASSI { 1214}
   (  segid "   A" and resid 53   and name  HG2#)
   (( segid "   A" and resid 53   and name  HA  ))
      1.974     0.487     0.487 peak  1214 weight  1.00000E+00 volume  2.78290E+06 ppm1      3.946 ppm2      1.225

 ASSI { 1010}
   (( segid "   A" and resid 53   and name  HA  ))
   (( segid "   A" and resid 53   and name  HN  ))
      2.637     0.869     0.869 peak  1010 weight  1.00000E+00 volume  7.92918E+07 ppm1      8.090 ppm2      3.929

 ASSI {  452}
   (( segid "   A" and resid 53   and name  HB  ))
   (( segid "   A" and resid 53   and name  HN  ))
      2.409     0.725     0.725 peak   452 weight  1.00000E+00 volume  1.36466E+08 ppm1      8.086 ppm2      4.189

 ASSI {  707}
   (( segid "   A" and resid 53   and name  HB  ))
   (( segid "   A" and resid 55   and name  HN  ))
      3.171     1.257     1.257 peak   707 weight  1.00000E+00 volume  2.62001E+07 ppm1      7.872 ppm2      4.182

 ASSI { 1108}
   (  segid "   A" and resid 54   and name  HD1#)
   (( segid "   A" and resid 53   and name  HB  ))
      2.824     0.997     0.997 peak  1108 weight  1.00000E+00 volume  1.10370E+06 ppm1      0.884 ppm2      4.235

 ASSI { 3397}
   (  segid "   A" and resid 54   and name  HD1#)
   (  segid "   A" and resid 53   and name  HG2#)
      1.924     0.463     0.463 peak  3397 weight  1.00000E+00 volume  1.10200E+07 ppm1      0.884 ppm2      1.214

 ASSI { 3669}
   (( segid "   A" and resid 54   and name  HA  ))
   (  segid "   A" and resid 53   and name  HG2#)
      2.666     0.888     0.888 peak  3669 weight  1.00000E+00 volume  1.55900E+06 ppm1      3.800 ppm2      1.174

 ASSI {  923}
   (( segid "   A" and resid 54   and name  HN  ))
   (  segid "   A" and resid 53   and name  HG2#)
      3.277     1.343     1.343 peak   923 weight  1.00000E+00 volume  2.14995E+07 ppm1      8.659 ppm2      1.183

 ASSI { 2293}
   (( segid "   A" and resid 54   and name  HN  ))
   (( segid "   A" and resid 53   and name  HN  ))
      3.172     1.258     1.258 peak  2293 weight  1.00000E+00 volume  2.61287E+07 ppm1      8.089 ppm2      8.650

 ASSI { 1094}
   (( segid "   A" and resid 54   and name  HG11))
   (( segid "   A" and resid 54   and name  HB  ))
      2.242     0.628     0.628 peak  1094 weight  1.00000E+00 volume  4.41086E+06 ppm1      1.976 ppm2      1.594

 ASSI { 1103}
   (  segid "   A" and resid 54   and name  HD1#)
   (( segid "   A" and resid 54   and name  HB  ))
      2.214     0.613     0.613 peak  1103 weight  1.00000E+00 volume  4.75341E+06 ppm1      0.885 ppm2      1.988

 ASSI { 1106}
   (  segid "   A" and resid 54   and name  HD1#)
   (( segid "   A" and resid 54   and name  HA  ))
      2.218     0.615     0.615 peak  1106 weight  1.00000E+00 volume  4.69687E+06 ppm1      0.883 ppm2      3.798

 ASSI {    5}
   (  segid "   A" and resid 54   and name  HD1#)
   (( segid "   A" and resid 54   and name  HG11))
      1.807     0.408     0.408 peak     5 weight  1.00000E+00 volume  7.68709E+06 ppm1      0.883 ppm2      1.595

 ASSI { 1115}
   (( segid "   A" and resid 54   and name  HG11))
   (( segid "   A" and resid 54   and name  HG12))
      1.730     0.374     0.374 peak  1115 weight  1.00000E+00 volume  2.08898E+07 ppm1      1.603 ppm2      1.253

 ASSI { 1120}
   (  segid "   A" and resid 54   and name  HD1#)
   (( segid "   A" and resid 54   and name  HG12))
      2.040     0.520     0.520 peak  1120 weight  1.00000E+00 volume  7.77313E+06 ppm1      1.226 ppm2      0.871

 ASSI { 1125}
   (( segid "   A" and resid 54   and name  HG12))
   (( segid "   A" and resid 54   and name  HB  ))
      2.466     0.760     0.760 peak  1125 weight  1.00000E+00 volume  2.48724E+06 ppm1      1.220 ppm2      1.966

 ASSI { 1130}
   (( segid "   A" and resid 54   and name  HG11))
   (  segid "   A" and resid 54   and name  HG2#)
      2.166     0.586     0.586 peak  1130 weight  1.00000E+00 volume  5.42475E+06 ppm1      0.840 ppm2      1.598

 ASSI { 1095}
   (( segid "   A" and resid 54   and name  HB  ))
   (  segid "   A" and resid 54   and name  HG2#)
      1.976     0.488     0.488 peak  1095 weight  1.00000E+00 volume  9.08813E+06 ppm1      1.980 ppm2      0.849

 ASSI { 3648}
   (( segid "   A" and resid 54   and name  HB  ))
   (( segid "   A" and resid 54   and name  HA  ))
      2.519     0.793     0.793 peak  3648 weight  1.00000E+00 volume  2.19000E+06 ppm1      1.977 ppm2      3.818

 ASSI { 1126}
   (( segid "   A" and resid 54   and name  HG12))
   (( segid "   A" and resid 54   and name  HA  ))
      2.436     0.742     0.742 peak  1126 weight  1.00000E+00 volume  1.64077E+06 ppm1      1.229 ppm2      3.801

 ASSI {  700}
   (( segid "   A" and resid 54   and name  HB  ))
   (( segid "   A" and resid 54   and name  HN  ))
      2.546     0.810     0.810 peak   700 weight  1.00000E+00 volume  4.30432E+07 ppm1      8.656 ppm2      1.958

 ASSI {  701}
   (( segid "   A" and resid 54   and name  HN  ))
   (( segid "   A" and resid 54   and name  HA  ))
      2.631     0.866     0.866 peak   701 weight  1.00000E+00 volume  2.55321E+07 ppm1      8.657 ppm2      3.781

 ASSI {  919}
   (  segid "   A" and resid 54   and name  HG2#)
   (( segid "   A" and resid 54   and name  HN  ))
      2.741     0.939     0.939 peak   919 weight  1.00000E+00 volume  3.55357E+07 ppm1      8.663 ppm2      0.816

 ASSI { 2162}
   (( segid "   A" and resid 54   and name  HG12))
   (( segid "   A" and resid 54   and name  HN  ))
      2.841     1.009     1.009 peak  2162 weight  1.00000E+00 volume  5.06920E+07 ppm1      8.605 ppm2      1.493
 OR { 2162}
   (  segid "   A" and resid 109  and name  HB# )
   (( segid "   A" and resid 126  and name  HN  ))

 ASSI { 2492}
   (( segid "   A" and resid 54   and name  HG12))
   (( segid "   A" and resid 54   and name  HN  ))
      3.327     1.383     1.383 peak  2492 weight  1.00000E+00 volume  1.96600E+07 ppm1      8.658 ppm2      1.572

 ASSI {  497}
   (( segid "   A" and resid 54   and name  HB  ))
   (( segid "   A" and resid 55   and name  HN  ))
      2.493     0.777     0.777 peak   497 weight  1.00000E+00 volume  1.11001E+08 ppm1      7.872 ppm2      1.959

 ASSI { 3653}
   (  segid "   A" and resid 54   and name  HG2#)
   (( segid "   A" and resid 55   and name  HA  ))
      2.445     0.747     0.747 peak  3653 weight  1.00000E+00 volume  2.62200E+06 ppm1      3.835 ppm2      0.843

 ASSI { 4126}
   (  segid "   A" and resid 54   and name  HG2#)
   (( segid "   A" and resid 55   and name  HN  ))
      2.406     0.724     0.724 peak  4126 weight  1.00000E+00 volume  2.88600E+06 ppm1      0.837 ppm2      7.878

 ASSI {  193}
   (( segid "   A" and resid 54   and name  HN  ))
   (( segid "   A" and resid 55   and name  HN  ))
      3.066     1.175     1.175 peak   193 weight  1.00000E+00 volume  3.20652E+07 ppm1      7.874 ppm2      8.659

 ASSI { 3663}
   (( segid "   A" and resid 54   and name  HA  ))
   (( segid "   A" and resid 57   and name  HB1 ))
      2.718     0.923     0.923 peak  3663 weight  1.00000E+00 volume  1.39000E+06 ppm1      2.044 ppm2      3.778

 ASSI { 3050}
   (( segid "   A" and resid 54   and name  HG12))
   (  segid "   A" and resid 57   and name  HD2#)
      2.068     0.535     0.535 peak  3050 weight  1.00000E+00 volume  7.15651E+06 ppm1      0.832 ppm2      1.319

 ASSI { 2502}
   (( segid "   A" and resid 54   and name  HA  ))
   (( segid "   A" and resid 57   and name  HN  ))
      2.692     0.906     0.906 peak  2502 weight  1.00000E+00 volume  6.99200E+07 ppm1      8.147 ppm2      3.785

 ASSI { 3646}
   (( segid "   A" and resid 54   and name  HA  ))
   (( segid "   A" and resid 58   and name  HN  ))
      3.287     1.350     1.350 peak  3646 weight  1.00000E+00 volume  4.44000E+05 ppm1      3.808 ppm2      8.356

 ASSI { 1577}
   (( segid "   A" and resid 54   and name  HG12))
   (( segid "   A" and resid 58   and name  HN  ))
      3.207     1.285     1.285 peak  1577 weight  1.00000E+00 volume  2.44991E+07 ppm1      8.373 ppm2      1.204
 OR { 1577}
   (  segid "   A" and resid 55   and name  HG2#)
   (( segid "   A" and resid 58   and name  HN  ))

 ASSI { 2506}
   (( segid "   A" and resid 54   and name  HG12))
   (( segid "   A" and resid 58   and name  HN  ))
      3.731     1.740     1.740 peak  2506 weight  1.00000E+00 volume  9.87400E+06 ppm1      8.364 ppm2      1.627

 ASSI { 1127}
   (( segid "   A" and resid 54   and name  HG12))
   (( segid "   A" and resid 63   and name  HE22))
      2.959     1.094     1.094 peak  1127 weight  1.00000E+00 volume  8.34367E+05 ppm1      1.215 ppm2      7.264

 ASSI { 3704}
   (  segid "   A" and resid 54   and name  HG2#)
   (( segid "   A" and resid 66   and name  HD1 ))
      2.901     1.052     1.052 peak  3704 weight  1.00000E+00 volume  9.39800E+05 ppm1      3.209 ppm2      0.818
 OR { 3704}
   (  segid "   A" and resid 26   and name  HD1#)
   (( segid "   A" and resid 66   and name  HD2 ))
 OR { 3704}
   (  segid "   A" and resid 57   and name  HD2#)
   (  segid "   A" and resid 66   and name  HD# )

 ASSI { 1114}
   (( segid "   A" and resid 54   and name  HG11))
   (  segid "   A" and resid 67   and name  HG2#)
      2.114     0.558     0.558 peak  1114 weight  1.00000E+00 volume  6.28039E+06 ppm1      1.598 ppm2      1.031

 ASSI { 3719}
   (  segid "   A" and resid 54   and name  HG2#)
   (  segid "   A" and resid 67   and name  HG2#)
      1.865     0.435     0.435 peak  3719 weight  1.00000E+00 volume  1.32900E+07 ppm1      1.046 ppm2      0.837

 ASSI { 1102}
   (  segid "   A" and resid 54   and name  HD1#)
   (  segid "   A" and resid 129  and name  HG1#)
      1.653     0.342     0.342 peak  1102 weight  1.00000E+00 volume  2.74186E+07 ppm1      0.881 ppm2      0.759

 ASSI { 1546}
   (( segid "   A" and resid 55   and name  HB  ))
   (( segid "   A" and resid 53   and name  HN  ))
      3.433     1.474     1.474 peak  1546 weight  1.00000E+00 volume  1.62553E+07 ppm1      8.088 ppm2      4.051

 ASSI { 1145}
   (  segid "   A" and resid 55   and name  HG2#)
   (( segid "   A" and resid 55   and name  HB  ))
      1.902     0.452     0.452 peak  1145 weight  1.00000E+00 volume  7.81816E+06 ppm1      4.057 ppm2      1.197

 ASSI {  710}
   (( segid "   A" and resid 55   and name  HN  ))
   (( segid "   A" and resid 55   and name  HB  ))
      2.348     0.689     0.689 peak   710 weight  1.00000E+00 volume  1.58919E+08 ppm1      7.869 ppm2      4.028

 ASSI { 1137}
   (( segid "   A" and resid 55   and name  HA  ))
   (  segid "   A" and resid 55   and name  HG2#)
      1.994     0.497     0.497 peak  1137 weight  1.00000E+00 volume  5.25807E+06 ppm1      3.835 ppm2      1.191

 ASSI { 3655}
   (( segid "   A" and resid 55   and name  HA  ))
   (( segid "   A" and resid 55   and name  HB  ))
      2.270     0.644     0.644 peak  3655 weight  1.00000E+00 volume  4.08900E+06 ppm1      3.835 ppm2      4.032

 ASSI {  711}
   (( segid "   A" and resid 55   and name  HA  ))
   (( segid "   A" and resid 55   and name  HN  ))
      2.355     0.693     0.693 peak   711 weight  1.00000E+00 volume  1.56013E+08 ppm1      7.870 ppm2      3.796

 ASSI { 1141}
   (( segid "   A" and resid 55   and name  HA  ))
   (( segid "   A" and resid 56   and name  HN  ))
      2.965     1.099     1.099 peak  1141 weight  1.00000E+00 volume  8.23210E+05 ppm1      3.834 ppm2      7.650

 ASSI { 3661}
   (  segid "   A" and resid 55   and name  HG2#)
   (( segid "   A" and resid 56   and name  HN  ))
      2.654     0.880     0.880 peak  3661 weight  1.00000E+00 volume  1.60300E+06 ppm1      1.186 ppm2      7.681

 ASSI { 2493}
   (( segid "   A" and resid 55   and name  HN  ))
   (( segid "   A" and resid 57   and name  HN  ))
      3.079     1.185     1.185 peak  2493 weight  1.00000E+00 volume  3.12900E+07 ppm1      7.871 ppm2      8.125

 ASSI { 1135}
   (( segid "   A" and resid 55   and name  HA  ))
   (  segid "   A" and resid 58   and name  HG1#)
      2.219     0.615     0.615 peak  1135 weight  1.00000E+00 volume  4.69298E+06 ppm1      3.834 ppm2      0.952

 ASSI { 3654}
   (( segid "   A" and resid 55   and name  HA  ))
   (( segid "   A" and resid 58   and name  HB  ))
      2.735     0.935     0.935 peak  3654 weight  1.00000E+00 volume  1.33900E+06 ppm1      3.834 ppm2      2.240

 ASSI { 2504}
   (( segid "   A" and resid 55   and name  HA  ))
   (( segid "   A" and resid 58   and name  HN  ))
      2.559     0.819     0.819 peak  2504 weight  1.00000E+00 volume  9.48600E+07 ppm1      8.368 ppm2      3.811

 ASSI { 2507}
   (  segid "   A" and resid 55   and name  HG2#)
   (( segid "   A" and resid 58   and name  HN  ))
      3.207     1.285     1.285 peak  2507 weight  1.00000E+00 volume  2.45000E+07 ppm1      8.373 ppm2      1.204

 ASSI { 3658}
   (  segid "   A" and resid 55   and name  HG2#)
   (( segid "   A" and resid 59   and name  HG1 ))
      2.599     0.844     0.844 peak  3658 weight  1.00000E+00 volume  1.81700E+06 ppm1      1.190 ppm2      2.625

 ASSI { 2508}
   (  segid "   A" and resid 55   and name  HG2#)
   (( segid "   A" and resid 59   and name  HN  ))
      3.210     1.288     1.288 peak  2508 weight  1.00000E+00 volume  2.43400E+07 ppm1      7.247 ppm2      1.172

 ASSI { 2519}
   (  segid "   A" and resid 55   and name  HG2#)
   (( segid "   A" and resid 59   and name  HE22))
      2.585     0.835     0.835 peak  2519 weight  1.00000E+00 volume  8.92300E+07 ppm1      7.380 ppm2      1.168

 ASSI { 2520}
   (  segid "   A" and resid 55   and name  HG2#)
   (( segid "   A" and resid 59   and name  HE21))
      2.661     0.885     0.885 peak  2520 weight  1.00000E+00 volume  7.49600E+07 ppm1      6.819 ppm2      1.170

 ASSI { 3657}
   (( segid "   A" and resid 56   and name  HN  ))
   (( segid "   A" and resid 55   and name  HB  ))
      2.423     0.734     0.734 peak  3657 weight  1.00000E+00 volume  2.76800E+06 ppm1      4.054 ppm2      7.702

 ASSI {  189}
   (( segid "   A" and resid 56   and name  HN  ))
   (( segid "   A" and resid 55   and name  HN  ))
      2.380     0.708     0.708 peak   189 weight  1.00000E+00 volume  1.03958E+08 ppm1      7.871 ppm2      7.681

 ASSI { 1164}
   (( segid "   A" and resid 56   and name  HN  ))
   (( segid "   A" and resid 56   and name  HB2 ))
      2.467     0.761     0.761 peak  1164 weight  1.00000E+00 volume  2.48550E+06 ppm1      4.001 ppm2      7.689

 ASSI {  996}
   (( segid "   A" and resid 56   and name  HN  ))
   (( segid "   A" and resid 56   and name  HB1 ))
      1.946     0.473     0.473 peak   996 weight  1.00000E+00 volume  4.90425E+08 ppm1      7.681 ppm2      3.945

 ASSI { 1160}
   (( segid "   A" and resid 56   and name  HA  ))
   (( segid "   A" and resid 56   and name  HB2 ))
      1.971     0.486     0.486 peak  1160 weight  1.00000E+00 volume  9.54676E+06 ppm1      4.207 ppm2      3.987

 ASSI {  705}
   (( segid "   A" and resid 56   and name  HN  ))
   (( segid "   A" and resid 56   and name  HA  ))
      2.233     0.623     0.623 peak   705 weight  1.00000E+00 volume  2.15135E+08 ppm1      7.681 ppm2      4.183

 ASSI {  192}
   (( segid "   A" and resid 56   and name  HN  ))
   (( segid "   A" and resid 57   and name  HN  ))
      2.359     0.696     0.696 peak   192 weight  1.00000E+00 volume  1.54418E+08 ppm1      7.681 ppm2      8.140

 ASSI {  499}
   (( segid "   A" and resid 56   and name  HA  ))
   (( segid "   A" and resid 57   and name  HN  ))
      2.505     0.784     0.784 peak   499 weight  1.00000E+00 volume  1.07777E+08 ppm1      8.146 ppm2      4.187

 ASSI {  714}
   (( segid "   A" and resid 56   and name  HN  ))
   (( segid "   A" and resid 57   and name  HB1 ))
      2.939     1.080     1.080 peak   714 weight  1.00000E+00 volume  4.12936E+07 ppm1      7.681 ppm2      2.045

 ASSI {  997}
   (( segid "   A" and resid 56   and name  HB1 ))
   (( segid "   A" and resid 57   and name  HN  ))
      2.522     0.795     0.795 peak   997 weight  1.00000E+00 volume  1.03528E+08 ppm1      8.149 ppm2      3.945

 ASSI { 2499}
   (( segid "   A" and resid 56   and name  HN  ))
   (( segid "   A" and resid 58   and name  HN  ))
      3.307     1.367     1.367 peak  2499 weight  1.00000E+00 volume  2.03800E+07 ppm1      7.682 ppm2      8.372

 ASSI { 3662}
   (( segid "   A" and resid 56   and name  HA  ))
   (( segid "   A" and resid 59   and name  HB1 ))
      2.493     0.777     0.777 peak  3662 weight  1.00000E+00 volume  2.33100E+06 ppm1      4.207 ppm2      2.078

 ASSI { 1561}
   (( segid "   A" and resid 56   and name  HN  ))
   (( segid "   A" and resid 59   and name  HG1 ))
      3.280     1.345     1.345 peak  1561 weight  1.00000E+00 volume  2.13822E+07 ppm1      7.680 ppm2      2.611

 ASSI { 2498}
   (( segid "   A" and resid 56   and name  HN  ))
   (( segid "   A" and resid 59   and name  HN  ))
      3.319     1.377     1.377 peak  2498 weight  1.00000E+00 volume  1.99400E+07 ppm1      7.682 ppm2      7.248

 ASSI { 1191}
   (  segid "   A" and resid 57   and name  HD2#)
   (  segid "   A" and resid 53   and name  HG2#)
      1.918     0.460     0.460 peak  1191 weight  1.00000E+00 volume  1.12483E+07 ppm1      0.791 ppm2      1.206

 ASSI { 1188}
   (  segid "   A" and resid 57   and name  HD2#)
   (( segid "   A" and resid 54   and name  HA  ))
      2.194     0.602     0.602 peak  1188 weight  1.00000E+00 volume  5.02012E+06 ppm1      0.787 ppm2      3.804

 ASSI { 1120}
   (  segid "   A" and resid 57   and name  HD1#)
   (( segid "   A" and resid 56   and name  HN  ))
      2.757     0.950     0.950 peak  1120 weight  1.00000E+00 volume  6.07216E+07 ppm1      7.682 ppm2      0.802

 ASSI { 1172}
   (( segid "   A" and resid 57   and name  HG  ))
   (( segid "   A" and resid 57   and name  HA  ))
      1.968     0.484     0.484 peak  1172 weight  1.00000E+00 volume  9.62664E+06 ppm1      4.164 ppm2      1.934

 ASSI { 1173}
   (( segid "   A" and resid 57   and name  HA  ))
   (( segid "   A" and resid 57   and name  HB1 ))
      2.207     0.609     0.609 peak  1173 weight  1.00000E+00 volume  4.84641E+06 ppm1      4.163 ppm2      2.058

 ASSI { 1174}
   (( segid "   A" and resid 57   and name  HA  ))
   (( segid "   A" and resid 57   and name  HB2 ))
      2.381     0.708     0.708 peak  1174 weight  1.00000E+00 volume  3.07574E+06 ppm1      4.161 ppm2      1.363

 ASSI { 1178}
   (( segid "   A" and resid 57   and name  HB1 ))
   (( segid "   A" and resid 57   and name  HB2 ))
      2.282     0.651     0.651 peak  1178 weight  1.00000E+00 volume  3.04585E+06 ppm1      2.050 ppm2      1.351

 ASSI { 1180}
   (  segid "   A" and resid 57   and name  HD2#)
   (( segid "   A" and resid 57   and name  HB1 ))
      2.203     0.607     0.607 peak  1180 weight  1.00000E+00 volume  4.89175E+06 ppm1      2.046 ppm2      0.818

 ASSI { 1181}
   (  segid "   A" and resid 57   and name  HD2#)
   (( segid "   A" and resid 57   and name  HB2 ))
      2.140     0.573     0.573 peak  1181 weight  1.00000E+00 volume  5.82494E+06 ppm1      1.359 ppm2      0.806

 ASSI { 1196}
   (  segid "   A" and resid 57   and name  HD1#)
   (( segid "   A" and resid 57   and name  HB1 ))
      2.008     0.504     0.504 peak  1196 weight  1.00000E+00 volume  8.53766E+06 ppm1      0.794 ppm2      2.058

 ASSI { 1197}
   (( segid "   A" and resid 57   and name  HG  ))
   (  segid "   A" and resid 57   and name  HD1#)
      1.891     0.447     0.447 peak  1197 weight  1.00000E+00 volume  1.22417E+07 ppm1      0.793 ppm2      1.943

 ASSI { 1189}
   (( segid "   A" and resid 57   and name  HG  ))
   (  segid "   A" and resid 57   and name  HD2#)
      1.921     0.461     0.461 peak  1189 weight  1.00000E+00 volume  1.11459E+07 ppm1      0.789 ppm2      1.955

 ASSI { 1065}
   (( segid "   A" and resid 57   and name  HG  ))
   (  segid "   A" and resid 57   and name  HD# )
      1.935     0.468     0.468 peak  1065 weight  1.00000E+00 volume  1.06677E+07 ppm1      1.937 ppm2      0.817

 ASSI { 1194}
   (  segid "   A" and resid 57   and name  HD1#)
   (( segid "   A" and resid 57   and name  HA  ))
      1.941     0.471     0.471 peak  1194 weight  1.00000E+00 volume  1.04662E+07 ppm1      0.794 ppm2      4.147

 ASSI {  712}
   (( segid "   A" and resid 57   and name  HA  ))
   (( segid "   A" and resid 57   and name  HN  ))
      2.505     0.784     0.784 peak   712 weight  1.00000E+00 volume  1.07777E+08 ppm1      8.149 ppm2      4.145

 ASSI {  713}
   (( segid "   A" and resid 57   and name  HB1 ))
   (( segid "   A" and resid 57   and name  HN  ))
      2.425     0.735     0.735 peak   713 weight  1.00000E+00 volume  1.30947E+08 ppm1      8.147 ppm2      2.035

 ASSI { 1117}
   (  segid "   A" and resid 57   and name  HD1#)
   (( segid "   A" and resid 57   and name  HN  ))
      2.389     0.713     0.713 peak  1117 weight  1.00000E+00 volume  1.43246E+08 ppm1      8.148 ppm2      0.779

 ASSI { 1565}
   (( segid "   A" and resid 57   and name  HB2 ))
   (( segid "   A" and resid 57   and name  HN  ))
      2.644     0.874     0.874 peak  1565 weight  1.00000E+00 volume  7.79220E+07 ppm1      8.146 ppm2      1.341

 ASSI {   62}
   (( segid "   A" and resid 57   and name  HN  ))
   (( segid "   A" and resid 58   and name  HN  ))
      2.579     0.831     0.831 peak    62 weight  1.00000E+00 volume  9.05888E+07 ppm1      8.368 ppm2      8.148

 ASSI {  500}
   (( segid "   A" and resid 57   and name  HA  ))
   (( segid "   A" and resid 58   and name  HN  ))
      2.801     0.980     0.980 peak   500 weight  1.00000E+00 volume  5.52113E+07 ppm1      8.369 ppm2      4.145

 ASSI {  501}
   (( segid "   A" and resid 57   and name  HB1 ))
   (( segid "   A" and resid 58   and name  HN  ))
      2.537     0.805     0.805 peak   501 weight  1.00000E+00 volume  9.99165E+07 ppm1      8.368 ppm2      2.042

 ASSI { 1181}
   (( segid "   A" and resid 57   and name  HB2 ))
   (( segid "   A" and resid 58   and name  HN  ))
      2.792     0.975     0.975 peak  1181 weight  1.00000E+00 volume  5.61952E+07 ppm1      8.367 ppm2      1.340

 ASSI {  718}
   (( segid "   A" and resid 57   and name  HN  ))
   (( segid "   A" and resid 59   and name  HN  ))
      3.263     1.331     1.331 peak   718 weight  1.00000E+00 volume  2.20693E+07 ppm1      8.144 ppm2      7.236

 ASSI { 2509}
   (( segid "   A" and resid 57   and name  HB2 ))
   (( segid "   A" and resid 59   and name  HN  ))
      3.680     1.693     1.693 peak  2509 weight  1.00000E+00 volume  1.07200E+07 ppm1      7.251 ppm2      1.345
 OR { 2509}
   (  segid "   A" and resid 45   and name  HB# )
   (( segid "   A" and resid 48   and name  HN  ))

 ASSI { 1992}
   (  segid "   A" and resid 57   and name  HD# )
   (( segid "   A" and resid 108  and name  HD22))
      3.495     1.527     1.527 peak  1992 weight  1.00000E+00 volume  1.46144E+07 ppm1      7.155 ppm2      0.776

 ASSI { 2496}
   (  segid "   A" and resid 58   and name  HG1#)
   (( segid "   A" and resid 55   and name  HN  ))
      3.137     1.230     1.230 peak  2496 weight  1.00000E+00 volume  2.79400E+07 ppm1      7.871 ppm2      0.944

 ASSI { 2497}
   (  segid "   A" and resid 58   and name  HG1#)
   (( segid "   A" and resid 56   and name  HN  ))
      3.011     1.133     1.133 peak  2497 weight  1.00000E+00 volume  3.57300E+07 ppm1      7.681 ppm2      0.936

 ASSI { 1221}
   (( segid "   A" and resid 58   and name  HA  ))
   (( segid "   A" and resid 58   and name  HB  ))
      2.191     0.600     0.600 peak  1221 weight  1.00000E+00 volume  5.06555E+06 ppm1      3.724 ppm2      2.241

 ASSI { 1223}
   (  segid "   A" and resid 58   and name  HG2#)
   (( segid "   A" and resid 58   and name  HA  ))
      1.940     0.470     0.470 peak  1223 weight  1.00000E+00 volume  6.81125E+06 ppm1      3.725 ppm2      0.896

 ASSI { 1230}
   (  segid "   A" and resid 58   and name  HG2#)
   (( segid "   A" and resid 58   and name  HB  ))
      2.063     0.532     0.532 peak  1230 weight  1.00000E+00 volume  7.25250E+06 ppm1      0.901 ppm2      2.219

 ASSI { 1225}
   (  segid "   A" and resid 58   and name  HG1#)
   (( segid "   A" and resid 58   and name  HB  ))
      1.793     0.402     0.402 peak  1225 weight  1.00000E+00 volume  1.30905E+07 ppm1      2.220 ppm2      0.943

 ASSI {  925}
   (  segid "   A" and resid 58   and name  HG1#)
   (( segid "   A" and resid 58   and name  HN  ))
      2.041     0.521     0.521 peak   925 weight  1.00000E+00 volume  3.39563E+08 ppm1      8.366 ppm2      0.964

 ASSI {  716}
   (( segid "   A" and resid 58   and name  HA  ))
   (( segid "   A" and resid 58   and name  HN  ))
      2.460     0.756     0.756 peak   716 weight  1.00000E+00 volume  1.20227E+08 ppm1      8.368 ppm2      3.709

 ASSI {  717}
   (( segid "   A" and resid 58   and name  HB  ))
   (( segid "   A" and resid 58   and name  HN  ))
      2.303     0.663     0.663 peak   717 weight  1.00000E+00 volume  1.78653E+08 ppm1      8.367 ppm2      2.205

 ASSI { 1239}
   (  segid "   A" and resid 58   and name  HG1#)
   (( segid "   A" and resid 59   and name  HG2 ))
      2.483     0.771     0.771 peak  1239 weight  1.00000E+00 volume  2.38945E+06 ppm1      0.974 ppm2      2.413

 ASSI { 1265}
   (  segid "   A" and resid 58   and name  HG1#)
   (( segid "   A" and resid 59   and name  HA  ))
      2.293     0.657     0.657 peak  1265 weight  1.00000E+00 volume  3.84922E+06 ppm1      4.255 ppm2      0.896

 ASSI { 1248}
   (  segid "   A" and resid 58   and name  HG1#)
   (( segid "   A" and resid 59   and name  HN  ))
      2.094     0.548     0.548 peak  1248 weight  1.00000E+00 volume  6.64116E+06 ppm1      0.973 ppm2      7.278

 ASSI {   60}
   (( segid "   A" and resid 58   and name  HN  ))
   (( segid "   A" and resid 59   and name  HN  ))
      2.375     0.705     0.705 peak    60 weight  1.00000E+00 volume  1.48346E+08 ppm1      7.245 ppm2      8.365

 ASSI {  503}
   (( segid "   A" and resid 58   and name  HA  ))
   (( segid "   A" and resid 59   and name  HN  ))
      2.596     0.842     0.842 peak   503 weight  1.00000E+00 volume  8.71193E+07 ppm1      7.245 ppm2      3.706

 ASSI { 2505}
   (( segid "   A" and resid 58   and name  HN  ))
   (( segid "   A" and resid 59   and name  HG1 ))
      3.386     1.433     1.433 peak  2505 weight  1.00000E+00 volume  1.76900E+07 ppm1      8.364 ppm2      2.608

 ASSI { 2521}
   (  segid "   A" and resid 58   and name  HG1#)
   (( segid "   A" and resid 59   and name  HE21))
      3.105     1.205     1.205 peak  2521 weight  1.00000E+00 volume  2.35100E+07 ppm1      6.818 ppm2      0.905

 ASSI { 2522}
   (  segid "   A" and resid 58   and name  HG1#)
   (( segid "   A" and resid 59   and name  HE22))
      2.980     1.110     1.110 peak  2522 weight  1.00000E+00 volume  3.80100E+07 ppm1      7.378 ppm2      0.912

 ASSI { 1607}
   (( segid "   A" and resid 58   and name  HN  ))
   (( segid "   A" and resid 60   and name  HN  ))
      3.122     1.218     1.218 peak  1607 weight  1.00000E+00 volume  1.93626E+07 ppm1      7.815 ppm2      8.361

 ASSI { 4248}
   (  segid "   A" and resid 58   and name  HG2#)
   (( segid "   A" and resid 64   and name  HB1 ))
      1.718     0.369     0.369 peak  4248 weight  1.00000E+00 volume  2.17599E+07 ppm1      0.897 ppm2      1.632

 ASSI { 2533}
   (( segid "   A" and resid 58   and name  HA  ))
   (( segid "   A" and resid 64   and name  HN  ))
      3.269     1.336     1.336 peak  2533 weight  1.00000E+00 volume  2.18400E+07 ppm1      7.895 ppm2      3.700

 ASSI { 2514}
   (( segid "   A" and resid 59   and name  HE22))
   (( segid "   A" and resid 56   and name  HA  ))
      2.971     1.103     1.103 peak  2514 weight  1.00000E+00 volume  3.87600E+07 ppm1      7.379 ppm2      4.202

 ASSI { 1262}
   (( segid "   A" and resid 59   and name  HA  ))
   (( segid "   A" and resid 59   and name  HB2 ))
      1.941     0.471     0.471 peak  1262 weight  1.00000E+00 volume  1.04809E+07 ppm1      4.257 ppm2      2.286

 ASSI { 1271}
   (( segid "   A" and resid 59   and name  HB2 ))
   (( segid "   A" and resid 59   and name  HB1 ))
      1.770     0.392     0.392 peak  1271 weight  1.00000E+00 volume  1.03181E+07 ppm1      2.313 ppm2      2.091

 ASSI { 1274}
   (( segid "   A" and resid 59   and name  HG1 ))
   (( segid "   A" and resid 59   and name  HB1 ))
      2.321     0.673     0.673 peak  1274 weight  1.00000E+00 volume  3.58014E+06 ppm1      2.089 ppm2      2.625

 ASSI { 1279}
   (( segid "   A" and resid 59   and name  HN  ))
   (( segid "   A" and resid 59   and name  HB2 ))
      2.689     0.904     0.904 peak  1279 weight  1.00000E+00 volume  1.48162E+06 ppm1      2.313 ppm2      7.272

 ASSI {  720}
   (( segid "   A" and resid 59   and name  HN  ))
   (( segid "   A" and resid 59   and name  HB1 ))
      2.174     0.591     0.591 peak   720 weight  1.00000E+00 volume  2.52080E+08 ppm1      7.245 ppm2      2.068

 ASSI { 1283}
   (( segid "   A" and resid 59   and name  HG2 ))
   (( segid "   A" and resid 59   and name  HG1 ))
      1.798     0.404     0.404 peak  1283 weight  1.00000E+00 volume  1.48072E+07 ppm1      2.436 ppm2      2.610

 ASSI { 1288}
   (( segid "   A" and resid 59   and name  HG2 ))
   (( segid "   A" and resid 59   and name  HB1 ))
      2.261     0.639     0.639 peak  1288 weight  1.00000E+00 volume  4.18675E+06 ppm1      2.434 ppm2      2.089

 ASSI { 1275}
   (( segid "   A" and resid 59   and name  HG1 ))
   (( segid "   A" and resid 59   and name  HB2 ))
      2.065     0.533     0.533 peak  1275 weight  1.00000E+00 volume  2.72279E+06 ppm1      2.313 ppm2      2.628

 ASSI { 1292}
   (( segid "   A" and resid 59   and name  HG2 ))
   (( segid "   A" and resid 59   and name  HA  ))
      2.256     0.636     0.636 peak  1292 weight  1.00000E+00 volume  4.24910E+06 ppm1      2.434 ppm2      4.246

 ASSI {  929}
   (( segid "   A" and resid 59   and name  HG1 ))
   (( segid "   A" and resid 59   and name  HN  ))
      2.303     0.663     0.663 peak   929 weight  1.00000E+00 volume  1.78399E+08 ppm1      7.245 ppm2      2.604

 ASSI {  719}
   (( segid "   A" and resid 59   and name  HN  ))
   (( segid "   A" and resid 59   and name  HA  ))
      2.214     0.613     0.613 peak   719 weight  1.00000E+00 volume  2.25906E+08 ppm1      7.245 ppm2      4.217

 ASSI {  930}
   (( segid "   A" and resid 59   and name  HG2 ))
   (( segid "   A" and resid 59   and name  HN  ))
      2.488     0.774     0.774 peak   930 weight  1.00000E+00 volume  1.12256E+08 ppm1      7.246 ppm2      2.425

 ASSI { 1591}
   (( segid "   A" and resid 59   and name  HE22))
   (( segid "   A" and resid 59   and name  HE21))
      1.718     0.369     0.369 peak  1591 weight  1.00000E+00 volume  1.03532E+09 ppm1      7.379 ppm2      6.811

 ASSI { 1596}
   (( segid "   A" and resid 59   and name  HE22))
   (( segid "   A" and resid 59   and name  HG1 ))
      2.586     0.836     0.836 peak  1596 weight  1.00000E+00 volume  8.90006E+07 ppm1      7.379 ppm2      2.602

 ASSI { 1597}
   (( segid "   A" and resid 59   and name  HE21))
   (( segid "   A" and resid 59   and name  HG1 ))
      2.795     0.976     0.976 peak  1597 weight  1.00000E+00 volume  5.58878E+07 ppm1      6.819 ppm2      2.603

 ASSI { 1598}
   (( segid "   A" and resid 59   and name  HE22))
   (( segid "   A" and resid 59   and name  HG2 ))
      2.658     0.883     0.883 peak  1598 weight  1.00000E+00 volume  7.54949E+07 ppm1      7.380 ppm2      2.419

 ASSI { 1599}
   (( segid "   A" and resid 59   and name  HE21))
   (( segid "   A" and resid 59   and name  HG2 ))
      2.869     1.029     1.029 peak  1599 weight  1.00000E+00 volume  4.77849E+07 ppm1      6.819 ppm2      2.425

 ASSI { 2515}
   (( segid "   A" and resid 59   and name  HE21))
   (( segid "   A" and resid 59   and name  HA  ))
      3.419     1.461     1.461 peak  2515 weight  1.00000E+00 volume  1.66900E+07 ppm1      6.820 ppm2      4.200

 ASSI { 1600}
   (( segid "   A" and resid 59   and name  HE22))
   (( segid "   A" and resid 59   and name  HB2 ))
      3.176     1.261     1.261 peak  1600 weight  1.00000E+00 volume  2.59746E+07 ppm1      7.377 ppm2      2.272

 ASSI { 2518}
   (( segid "   A" and resid 59   and name  HE21))
   (( segid "   A" and resid 59   and name  HB2 ))
      3.432     1.472     1.472 peak  2518 weight  1.00000E+00 volume  1.63100E+07 ppm1      6.820 ppm2      2.063

 ASSI {   57}
   (( segid "   A" and resid 59   and name  HN  ))
   (( segid "   A" and resid 60   and name  HN  ))
      2.232     0.623     0.623 peak    57 weight  1.00000E+00 volume  1.54710E+08 ppm1      7.814 ppm2      7.242

 ASSI {  504}
   (( segid "   A" and resid 59   and name  HB2 ))
   (( segid "   A" and resid 60   and name  HN  ))
      2.860     1.022     1.022 peak   504 weight  1.00000E+00 volume  4.87067E+07 ppm1      7.812 ppm2      2.282

 ASSI {  505}
   (( segid "   A" and resid 59   and name  HB1 ))
   (( segid "   A" and resid 60   and name  HN  ))
      2.670     0.891     0.891 peak   505 weight  1.00000E+00 volume  7.34507E+07 ppm1      7.814 ppm2      2.070

 ASSI {  506}
   (( segid "   A" and resid 59   and name  HA  ))
   (( segid "   A" and resid 60   and name  HN  ))
      2.513     0.790     0.790 peak   506 weight  1.00000E+00 volume  1.05701E+08 ppm1      7.814 ppm2      4.209

 ASSI {  927}
   (( segid "   A" and resid 59   and name  HG2 ))
   (( segid "   A" and resid 60   and name  HN  ))
      3.205     1.284     1.284 peak   927 weight  1.00000E+00 volume  2.45787E+07 ppm1      7.813 ppm2      2.429

 ASSI { 2323}
   (( segid "   A" and resid 59   and name  HB1 ))
   (( segid "   A" and resid 60   and name  HD21))
      2.687     0.903     0.903 peak  2323 weight  1.00000E+00 volume  7.07187E+07 ppm1      7.766 ppm2      2.079

 ASSI { 1134}
   (( segid "   A" and resid 60   and name  HA  ))
   (( segid "   A" and resid 59   and name  HN  ))
      3.438     1.477     1.477 peak  1134 weight  1.00000E+00 volume  1.61424E+07 ppm1      7.245 ppm2      5.052

 ASSI {  927}
   (( segid "   A" and resid 60   and name  HB1 ))
   (( segid "   A" and resid 60   and name  HA  ))
      2.405     0.723     0.723 peak   927 weight  1.00000E+00 volume  2.89191E+06 ppm1      2.625 ppm2      5.053

 ASSI {  928}
   (( segid "   A" and resid 60   and name  HB2 ))
   (( segid "   A" and resid 60   and name  HA  ))
      2.508     0.786     0.786 peak   928 weight  1.00000E+00 volume  2.16201E+06 ppm1      3.155 ppm2      5.070

 ASSI {  946}
   (( segid "   A" and resid 60   and name  HB1 ))
   (( segid "   A" and resid 60   and name  HB2 ))
      1.926     0.464     0.464 peak   946 weight  1.00000E+00 volume  1.05306E+07 ppm1      2.626 ppm2      3.148

 ASSI { 1309}
   (( segid "   A" and resid 60   and name  HB2 ))
   (( segid "   A" and resid 60   and name  HN  ))
      2.334     0.681     0.681 peak  1309 weight  1.00000E+00 volume  3.46042E+06 ppm1      3.148 ppm2      7.807

 ASSI {  928}
   (( segid "   A" and resid 60   and name  HB1 ))
   (( segid "   A" and resid 60   and name  HN  ))
      2.436     0.742     0.742 peak   928 weight  1.00000E+00 volume  1.24417E+08 ppm1      7.813 ppm2      2.605

 ASSI { 1132}
   (( segid "   A" and resid 60   and name  HA  ))
   (( segid "   A" and resid 60   and name  HN  ))
      2.559     0.819     0.819 peak  1132 weight  1.00000E+00 volume  9.47955E+07 ppm1      7.814 ppm2      5.051

 ASSI { 1157}
   (( segid "   A" and resid 60   and name  HB1 ))
   (( segid "   A" and resid 60   and name  HD21))
      2.578     0.831     0.831 peak  1157 weight  1.00000E+00 volume  9.07876E+07 ppm1      7.766 ppm2      2.605

 ASSI { 2865}
   (( segid "   A" and resid 60   and name  HB2 ))
   (( segid "   A" and resid 60   and name  HD21))
      2.654     0.880     0.880 peak  2865 weight  1.00000E+00 volume  7.62754E+07 ppm1      7.766 ppm2      3.131

 ASSI { 2868}
   (( segid "   A" and resid 60   and name  HB2 ))
   (( segid "   A" and resid 60   and name  HD22))
      2.716     0.922     0.922 peak  2868 weight  1.00000E+00 volume  6.63961E+07 ppm1      6.845 ppm2      3.133

 ASSI { 2870}
   (( segid "   A" and resid 60   and name  HD22))
   (( segid "   A" and resid 60   and name  HD21))
      1.889     0.446     0.446 peak  2870 weight  1.00000E+00 volume  5.61613E+08 ppm1      7.766 ppm2      6.845

 ASSI { 4167}
   (( segid "   A" and resid 61   and name  HB1 ))
   (( segid "   A" and resid 61   and name  HA  ))
      2.616     0.855     0.855 peak  4167 weight  1.00000E+00 volume  1.74654E+06 ppm1      2.427 ppm2      4.218

 ASSI { 4170}
   (( segid "   A" and resid 61   and name  HB1 ))
   (( segid "   A" and resid 61   and name  HB2 ))
      2.310     0.667     0.667 peak  4170 weight  1.00000E+00 volume  3.68374E+06 ppm1      2.432 ppm2      2.116

 ASSI { 4171}
   (( segid "   A" and resid 61   and name  HB1 ))
   (( segid "   A" and resid 61   and name  HG2 ))
      2.502     0.783     0.783 peak  4171 weight  1.00000E+00 volume  2.27941E+06 ppm1      2.430 ppm2      1.925

 ASSI { 4208}
   (( segid "   A" and resid 61   and name  HB2 ))
   (( segid "   A" and resid 61   and name  HA  ))
      2.479     0.768     0.768 peak  4208 weight  1.00000E+00 volume  2.41014E+06 ppm1      4.246 ppm2      2.111

 ASSI { 4214}
   (( segid "   A" and resid 61   and name  HA  ))
   (( segid "   A" and resid 61   and name  HG1 ))
      2.527     0.798     0.798 peak  4214 weight  1.00000E+00 volume  2.14767E+06 ppm1      4.241 ppm2      1.930

 ASSI { 1672}
   (( segid "   A" and resid 62   and name  HB2 ))
   (( segid "   A" and resid 26   and name  HN  ))
      3.517     1.547     1.547 peak  1672 weight  1.00000E+00 volume  1.40653E+07 ppm1      8.382 ppm2      2.482

 ASSI { 4168}
   (( segid "   A" and resid 62   and name  HD1 ))
   (( segid "   A" and resid 61   and name  HB1 ))
      2.580     0.832     0.832 peak  4168 weight  1.00000E+00 volume  1.89714E+06 ppm1      2.431 ppm2      3.711

 ASSI { 4274}
   (( segid "   A" and resid 62   and name  HD2 ))
   (( segid "   A" and resid 61   and name  HB1 ))
      2.378     0.707     0.707 peak  4274 weight  1.00000E+00 volume  3.09220E+06 ppm1      3.760 ppm2      2.419

 ASSI { 1312}
   (( segid "   A" and resid 62   and name  HB2 ))
   (( segid "   A" and resid 62   and name  HA  ))
      2.050     0.525     0.525 peak  1312 weight  1.00000E+00 volume  5.39147E+06 ppm1      4.407 ppm2      2.391

 ASSI { 1316}
   (( segid "   A" and resid 62   and name  HB2 ))
   (( segid "   A" and resid 62   and name  HB1 ))
      1.857     0.431     0.431 peak  1316 weight  1.00000E+00 volume  1.36459E+07 ppm1      2.415 ppm2      1.850

 ASSI { 1314}
   (( segid "   A" and resid 62   and name  HB1 ))
   (( segid "   A" and resid 62   and name  HA  ))
      2.253     0.635     0.635 peak  1314 weight  1.00000E+00 volume  1.87906E+06 ppm1      4.413 ppm2      1.890

 ASSI { 1324}
   (( segid "   A" and resid 62   and name  HA  ))
   (( segid "   A" and resid 62   and name  HG2 ))
      2.821     0.995     0.995 peak  1324 weight  1.00000E+00 volume  1.11095E+06 ppm1      2.174 ppm2      4.405

 ASSI { 1325}
   (( segid "   A" and resid 62   and name  HA  ))
   (( segid "   A" and resid 62   and name  HG1 ))
      2.495     0.778     0.778 peak  1325 weight  1.00000E+00 volume  2.31963E+06 ppm1      2.017 ppm2      4.402

 ASSI { 1326}
   (( segid "   A" and resid 62   and name  HG2 ))
   (( segid "   A" and resid 62   and name  HD1 ))
      2.241     0.628     0.628 peak  1326 weight  1.00000E+00 volume  4.42320E+06 ppm1      2.173 ppm2      3.734

 ASSI { 1327}
   (( segid "   A" and resid 62   and name  HG1 ))
   (( segid "   A" and resid 62   and name  HD1 ))
      2.197     0.603     0.603 peak  1327 weight  1.00000E+00 volume  4.98162E+06 ppm1      2.020 ppm2      3.733

 ASSI { 1328}
   (( segid "   A" and resid 62   and name  HB2 ))
   (( segid "   A" and resid 62   and name  HG2 ))
      2.182     0.595     0.595 peak  1328 weight  1.00000E+00 volume  5.19385E+06 ppm1      2.169 ppm2      2.400

 ASSI { 1329}
   (( segid "   A" and resid 62   and name  HB2 ))
   (( segid "   A" and resid 62   and name  HG1 ))
      2.164     0.585     0.585 peak  1329 weight  1.00000E+00 volume  5.44982E+06 ppm1      2.026 ppm2      2.402

 ASSI { 1332}
   (( segid "   A" and resid 62   and name  HG2 ))
   (( segid "   A" and resid 62   and name  HG1 ))
      1.704     0.363     0.363 peak  1332 weight  1.00000E+00 volume  1.61938E+07 ppm1      2.171 ppm2      2.028

 ASSI { 1334}
   (( segid "   A" and resid 62   and name  HB1 ))
   (( segid "   A" and resid 62   and name  HG2 ))
      2.031     0.516     0.516 peak  1334 weight  1.00000E+00 volume  7.97733E+06 ppm1      2.167 ppm2      1.877

 ASSI { 4273}
   (( segid "   A" and resid 62   and name  HG1 ))
   (( segid "   A" and resid 62   and name  HD1 ))
      2.079     0.540     0.540 peak  4273 weight  1.00000E+00 volume  6.93320E+06 ppm1      3.754 ppm2      2.016
 OR { 4273}
   (( segid "   A" and resid 33   and name  HG1 ))
   (  segid "   A" and resid 33   and name  HD# )

 ASSI {  507}
   (( segid "   A" and resid 62   and name  HA  ))
   (( segid "   A" and resid 63   and name  HN  ))
      2.806     0.984     0.984 peak   507 weight  1.00000E+00 volume  5.45632E+07 ppm1      7.554 ppm2      4.398

 ASSI {  509}
   (( segid "   A" and resid 62   and name  HB1 ))
   (( segid "   A" and resid 63   and name  HN  ))
      2.465     0.760     0.760 peak   509 weight  1.00000E+00 volume  1.18643E+08 ppm1      7.554 ppm2      1.877

 ASSI { 4265}
   (( segid "   A" and resid 62   and name  HB1 ))
   (( segid "   A" and resid 92   and name  HB1 ))
      1.730     0.374     0.374 peak  4265 weight  1.00000E+00 volume  2.08898E+07 ppm1      1.899 ppm2      2.225

 ASSI { 1619}
   (( segid "   A" and resid 63   and name  HE22))
   (  segid "   A" and resid 57   and name  HD2#)
      2.875     1.033     1.033 peak  1619 weight  1.00000E+00 volume  4.71516E+07 ppm1      7.280 ppm2      0.777

 ASSI { 1620}
   (( segid "   A" and resid 63   and name  HE21))
   (  segid "   A" and resid 57   and name  HD2#)
      3.010     1.132     1.132 peak  1620 weight  1.00000E+00 volume  3.58298E+07 ppm1      6.819 ppm2      0.781

 ASSI { 1626}
   (( segid "   A" and resid 63   and name  HE22))
   (( segid "   A" and resid 57   and name  HG  ))
      3.246     1.317     1.317 peak  1626 weight  1.00000E+00 volume  2.27776E+07 ppm1      7.283 ppm2      1.921

 ASSI { 1627}
   (( segid "   A" and resid 63   and name  HE21))
   (( segid "   A" and resid 57   and name  HG  ))
      3.396     1.442     1.442 peak  1627 weight  1.00000E+00 volume  1.73599E+07 ppm1      6.818 ppm2      1.924

 ASSI { 1621}
   (( segid "   A" and resid 63   and name  HE21))
   (  segid "   A" and resid 58   and name  HG2#)
      3.105     1.205     1.205 peak  1621 weight  1.00000E+00 volume  2.97490E+07 ppm1      6.820 ppm2      0.895
 OR { 1621}
   (  segid "   A" and resid 54   and name  HD1#)
   (( segid "   A" and resid 63   and name  HE21))

 ASSI {  765}
   (  segid "   A" and resid 63   and name  HG# )
   (( segid "   A" and resid 63   and name  HA  ))
      2.337     0.683     0.683 peak   765 weight  1.00000E+00 volume  3.43551E+06 ppm1      2.368 ppm2      4.218

 ASSI {  724}
   (( segid "   A" and resid 63   and name  HA  ))
   (( segid "   A" and resid 63   and name  HN  ))
      2.205     0.608     0.608 peak   724 weight  1.00000E+00 volume  1.31297E+08 ppm1      7.553 ppm2      4.202

 ASSI { 1629}
   (( segid "   A" and resid 63   and name  HE21))
   (  segid "   A" and resid 63   and name  HB# )
      2.663     0.887     0.887 peak  1629 weight  1.00000E+00 volume  2.42601E+07 ppm1      6.820 ppm2      2.079

 ASSI { 1337}
   (( segid "   A" and resid 63   and name  HA  ))
   (  segid "   A" and resid 63   and name  HB# )
      2.031     0.516     0.516 peak  1337 weight  1.00000E+00 volume  7.63090E+06 ppm1      4.217 ppm2      2.095

 ASSI {  725}
   (  segid "   A" and resid 63   and name  HB# )
   (( segid "   A" and resid 63   and name  HN  ))
      2.102     0.552     0.552 peak   725 weight  1.00000E+00 volume  3.09193E+08 ppm1      7.553 ppm2      2.082

 ASSI { 1616}
   (( segid "   A" and resid 63   and name  HE21))
   (( segid "   A" and resid 63   and name  HE22))
      1.881     0.442     0.442 peak  1616 weight  1.00000E+00 volume  5.90405E+08 ppm1      7.279 ppm2      6.814

 ASSI { 1628}
   (( segid "   A" and resid 63   and name  HE22))
   (  segid "   A" and resid 63   and name  HB# )
      3.021     1.141     1.141 peak  1628 weight  1.00000E+00 volume  3.50696E+07 ppm1      7.279 ppm2      2.060
 OR { 1628}
   (( segid "   A" and resid 63   and name  HE22))
   (( segid "   A" and resid 57   and name  HB1 ))

 ASSI { 1631}
   (( segid "   A" and resid 63   and name  HG2 ))
   (( segid "   A" and resid 63   and name  HE21))
      2.462     0.758     0.758 peak  1631 weight  1.00000E+00 volume  8.70810E+07 ppm1      6.819 ppm2      2.347

 ASSI { 1632}
   (  segid "   A" and resid 63   and name  HG# )
   (( segid "   A" and resid 63   and name  HE22))
      2.334     0.681     0.681 peak  1632 weight  1.00000E+00 volume  1.64820E+08 ppm1      7.279 ppm2      2.349

 ASSI { 1636}
   (( segid "   A" and resid 63   and name  HA  ))
   (( segid "   A" and resid 63   and name  HE21))
      3.316     1.375     1.375 peak  1636 weight  1.00000E+00 volume  2.00354E+07 ppm1      6.818 ppm2      4.217

 ASSI { 2530}
   (( segid "   A" and resid 63   and name  HE22))
   (  segid "   A" and resid 63   and name  HB# )
      3.021     1.141     1.141 peak  2530 weight  1.00000E+00 volume  3.50700E+07 ppm1      7.279 ppm2      2.060

 ASSI { 3678}
   (( segid "   A" and resid 63   and name  HB1 ))
   (( segid "   A" and resid 64   and name  HN  ))
      2.553     0.815     0.815 peak  3678 weight  1.00000E+00 volume  2.02200E+06 ppm1      2.096 ppm2      7.911

 ASSI {   66}
   (( segid "   A" and resid 63   and name  HN  ))
   (( segid "   A" and resid 64   and name  HN  ))
      2.328     0.677     0.677 peak    66 weight  1.00000E+00 volume  1.67350E+08 ppm1      7.553 ppm2      7.893

 ASSI {  510}
   (( segid "   A" and resid 63   and name  HA  ))
   (( segid "   A" and resid 64   and name  HN  ))
      2.588     0.837     0.837 peak   510 weight  1.00000E+00 volume  8.87214E+07 ppm1      7.898 ppm2      4.202

 ASSI { 3701}
   (( segid "   A" and resid 63   and name  HA  ))
   (( segid "   A" and resid 66   and name  HD2 ))
      2.725     0.928     0.928 peak  3701 weight  1.00000E+00 volume  1.36800E+06 ppm1      3.216 ppm2      4.200

 ASSI { 1432}
   (( segid "   A" and resid 63   and name  HG2 ))
   (( segid "   A" and resid 66   and name  HD2 ))
      2.791     0.974     0.974 peak  1432 weight  1.00000E+00 volume  1.18496E+06 ppm1      3.216 ppm2      2.365

 ASSI { 2532}
   (( segid "   A" and resid 63   and name  HE21))
   (  segid "   A" and resid 66   and name  HD# )
      3.466     1.502     1.502 peak  2532 weight  1.00000E+00 volume  1.53600E+07 ppm1      6.820 ppm2      3.179

 ASSI {  758}
   (( segid "   A" and resid 63   and name  HG2 ))
   (( segid "   A" and resid 67   and name  HG11))
      2.387     0.712     0.712 peak   758 weight  1.00000E+00 volume  3.02898E+06 ppm1      2.356 ppm2      1.289
 OR {  758}
   (  segid "   A" and resid 3    and name  HG2#)
   (( segid "   A" and resid 31   and name  HG2 ))

 ASSI { 3713}
   (( segid "   A" and resid 63   and name  HG2 ))
   (  segid "   A" and resid 67   and name  HD1#)
      2.375     0.705     0.705 peak  3713 weight  1.00000E+00 volume  3.12100E+06 ppm1      0.928 ppm2      2.374

 ASSI { 1623}
   (( segid "   A" and resid 63   and name  HE22))
   (  segid "   A" and resid 67   and name  HG2#)
      3.545     1.571     1.571 peak  1623 weight  1.00000E+00 volume  1.34275E+07 ppm1      7.284 ppm2      1.033

 ASSI { 1622}
   (( segid "   A" and resid 63   and name  HE22))
   (  segid "   A" and resid 67   and name  HD1#)
      2.657     0.883     0.883 peak  1622 weight  1.00000E+00 volume  4.41823E+07 ppm1      7.279 ppm2      0.906

 ASSI { 1580}
   (  segid "   A" and resid 64   and name  HD1#)
   (  segid "   A" and resid 24   and name  HB# )
      1.879     0.441     0.441 peak  1580 weight  1.00000E+00 volume  1.27064E+07 ppm1      0.893 ppm2      1.253

 ASSI { 3688}
   (  segid "   A" and resid 64   and name  HD1#)
   (( segid "   A" and resid 24   and name  HA  ))
      2.513     0.789     0.789 peak  3688 weight  1.00000E+00 volume  2.22400E+06 ppm1      0.862 ppm2      4.202

 ASSI { 2312}
   (  segid "   A" and resid 64   and name  HD1#)
   (( segid "   A" and resid 24   and name  HN  ))
      2.561     0.820     0.820 peak  2312 weight  1.00000E+00 volume  9.44600E+07 ppm1      8.178 ppm2      0.852

 ASSI {  737}
   (  segid "   A" and resid 64   and name  HD# )
   (( segid "   A" and resid 64   and name  HG  ))
      1.866     0.435     0.435 peak   737 weight  1.00000E+00 volume  1.32471E+07 ppm1      1.494 ppm2      0.862

 ASSI { 1354}
   (( segid "   A" and resid 64   and name  HA  ))
   (( segid "   A" and resid 64   and name  HB1 ))
      2.473     0.764     0.764 peak  1354 weight  1.00000E+00 volume  2.44962E+06 ppm1      4.074 ppm2      1.670

 ASSI { 1357}
   (  segid "   A" and resid 64   and name  HD2#)
   (( segid "   A" and resid 64   and name  HB2 ))
      2.243     0.629     0.629 peak  1357 weight  1.00000E+00 volume  4.39227E+06 ppm1      1.930 ppm2      0.860

 ASSI { 1358}
   (  segid "   A" and resid 64   and name  HD2#)
   (( segid "   A" and resid 64   and name  HB1 ))
      2.188     0.599     0.599 peak  1358 weight  1.00000E+00 volume  4.10721E+06 ppm1      1.654 ppm2      0.870

 ASSI { 1361}
   (( segid "   A" and resid 64   and name  HB1 ))
   (( segid "   A" and resid 64   and name  HB2 ))
      2.351     0.691     0.691 peak  1361 weight  1.00000E+00 volume  3.31824E+06 ppm1      1.929 ppm2      1.646

 ASSI { 1363}
   (( segid "   A" and resid 64   and name  HA  ))
   (( segid "   A" and resid 64   and name  HB2 ))
      2.702     0.913     0.913 peak  1363 weight  1.00000E+00 volume  1.43822E+06 ppm1      1.940 ppm2      4.078

 ASSI { 2534}
   (( segid "   A" and resid 64   and name  HB2 ))
   (( segid "   A" and resid 64   and name  HN  ))
      2.412     0.727     0.727 peak  2534 weight  1.00000E+00 volume  1.35400E+08 ppm1      7.899 ppm2      1.906

 ASSI {  728}
   (( segid "   A" and resid 64   and name  HB1 ))
   (( segid "   A" and resid 64   and name  HN  ))
      2.551     0.814     0.814 peak   728 weight  1.00000E+00 volume  9.66380E+07 ppm1      7.899 ppm2      1.633

 ASSI { 3283}
   (  segid "   A" and resid 64   and name  HD1#)
   (( segid "   A" and resid 64   and name  HG  ))
      1.886     0.445     0.445 peak  3283 weight  1.00000E+00 volume  1.24205E+07 ppm1      0.897 ppm2      1.489
 OR { 3283}
   (  segid "   A" and resid 111  and name  HG2#)
   (  segid "   A" and resid 114  and name  HB# )

 ASSI { 3574}
   (( segid "   A" and resid 64   and name  HG  ))
   (( segid "   A" and resid 64   and name  HB2 ))
      2.321     0.673     0.673 peak  3574 weight  1.00000E+00 volume  3.58000E+06 ppm1      1.494 ppm2      1.898

 ASSI { 1353}
   (  segid "   A" and resid 64   and name  HD2#)
   (( segid "   A" and resid 64   and name  HA  ))
      2.053     0.527     0.527 peak  1353 weight  1.00000E+00 volume  7.47441E+06 ppm1      4.071 ppm2      0.869

 ASSI {  726}
   (( segid "   A" and resid 64   and name  HA  ))
   (( segid "   A" and resid 64   and name  HN  ))
      2.510     0.787     0.787 peak   726 weight  1.00000E+00 volume  1.06642E+08 ppm1      7.899 ppm2      4.061

 ASSI { 1146}
   (  segid "   A" and resid 64   and name  HD1#)
   (( segid "   A" and resid 65   and name  HN  ))
      2.917     1.064     1.064 peak  1146 weight  1.00000E+00 volume  4.32017E+07 ppm1      8.989 ppm2      0.887

 ASSI { 3686}
   (  segid "   A" and resid 64   and name  HD2#)
   (( segid "   A" and resid 67   and name  HB  ))
      2.223     0.618     0.618 peak  3686 weight  1.00000E+00 volume  4.63600E+06 ppm1      0.862 ppm2      2.023

 ASSI { 3711}
   (( segid "   A" and resid 64   and name  HA  ))
   (( segid "   A" and resid 67   and name  HB  ))
      2.839     1.007     1.007 peak  3711 weight  1.00000E+00 volume  1.07000E+06 ppm1      2.030 ppm2      4.070

 ASSI { 3712}
   (( segid "   A" and resid 64   and name  HB1 ))
   (  segid "   A" and resid 67   and name  HD1#)
      2.560     0.819     0.819 peak  3712 weight  1.00000E+00 volume  1.98700E+06 ppm1      0.927 ppm2      1.601

 ASSI { 1477}
   (( segid "   A" and resid 64   and name  HA  ))
   (  segid "   A" and resid 67   and name  HD1#)
      2.389     0.713     0.713 peak  1477 weight  1.00000E+00 volume  3.01030E+06 ppm1      0.928 ppm2      4.075

 ASSI { 3716}
   (( segid "   A" and resid 64   and name  HN  ))
   (  segid "   A" and resid 67   and name  HD1#)
      2.830     1.001     1.001 peak  3716 weight  1.00000E+00 volume  1.08900E+06 ppm1      0.926 ppm2      7.875

 ASSI { 1147}
   (( segid "   A" and resid 64   and name  HA  ))
   (( segid "   A" and resid 67   and name  HN  ))
      2.675     0.894     0.894 peak  1147 weight  1.00000E+00 volume  7.27165E+07 ppm1      7.429 ppm2      4.057

 ASSI { 1663}
   (( segid "   A" and resid 64   and name  HG  ))
   (( segid "   A" and resid 68   and name  HN  ))
      3.493     1.525     1.525 peak  1663 weight  1.00000E+00 volume  1.46635E+07 ppm1      8.697 ppm2      1.510

 ASSI {  554}
   (( segid "   A" and resid 65   and name  HA2 ))
   (  segid "   A" and resid 24   and name  HB# )
      2.356     0.694     0.694 peak   554 weight  1.00000E+00 volume  3.27526E+06 ppm1      1.279 ppm2      3.567

 ASSI { 1398}
   (( segid "   A" and resid 65   and name  HA1 ))
   (  segid "   A" and resid 24   and name  HB# )
      2.597     0.843     0.843 peak  1398 weight  1.00000E+00 volume  1.82605E+06 ppm1      4.061 ppm2      1.286

 ASSI {  604}
   (( segid "   A" and resid 65   and name  HA2 ))
   (  segid "   A" and resid 26   and name  HD2#)
      2.443     0.746     0.746 peak   604 weight  1.00000E+00 volume  2.63387E+06 ppm1      0.799 ppm2      3.550

 ASSI {  605}
   (( segid "   A" and resid 65   and name  HA1 ))
   (  segid "   A" and resid 26   and name  HD2#)
      2.499     0.780     0.780 peak   605 weight  1.00000E+00 volume  2.30069E+06 ppm1      0.799 ppm2      4.041

 ASSI { 3537}
   (( segid "   A" and resid 65   and name  HA2 ))
   (  segid "   A" and resid 26   and name  HD1#)
      2.443     0.746     0.746 peak  3537 weight  1.00000E+00 volume  2.63400E+06 ppm1      0.799 ppm2      3.550

 ASSI { 2377}
   (( segid "   A" and resid 65   and name  HA2 ))
   (( segid "   A" and resid 30   and name  HG  ))
      3.018     1.138     1.138 peak  2377 weight  1.00000E+00 volume  7.41053E+05 ppm1      1.488 ppm2      3.568
 OR { 2377}
   (( segid "   A" and resid 65   and name  HA2 ))
   (( segid "   A" and resid 64   and name  HG  ))

 ASSI {   71}
   (( segid "   A" and resid 65   and name  HN  ))
   (( segid "   A" and resid 64   and name  HN  ))
      2.608     0.850     0.850 peak    71 weight  1.00000E+00 volume  8.46810E+07 ppm1      8.989 ppm2      7.895

 ASSI {  512}
   (( segid "   A" and resid 65   and name  HN  ))
   (( segid "   A" and resid 64   and name  HG  ))
      3.024     1.143     1.143 peak   512 weight  1.00000E+00 volume  3.48115E+07 ppm1      8.989 ppm2      1.482

 ASSI {  513}
   (( segid "   A" and resid 65   and name  HN  ))
   (( segid "   A" and resid 64   and name  HB1 ))
      2.815     0.990     0.990 peak   513 weight  1.00000E+00 volume  5.35758E+07 ppm1      8.989 ppm2      1.630

 ASSI { 2320}
   (( segid "   A" and resid 65   and name  HN  ))
   (( segid "   A" and resid 64   and name  HB2 ))
      2.514     0.790     0.790 peak  2320 weight  1.00000E+00 volume  1.05400E+08 ppm1      8.990 ppm2      1.901

 ASSI { 1395}
   (( segid "   A" and resid 65   and name  HA2 ))
   (( segid "   A" and resid 65   and name  HA1 ))
      2.139     0.572     0.572 peak  1395 weight  1.00000E+00 volume  5.34191E+06 ppm1      4.067 ppm2      3.557

 ASSI {  733}
   (( segid "   A" and resid 65   and name  HA1 ))
   (( segid "   A" and resid 65   and name  HN  ))
      2.260     0.639     0.639 peak   733 weight  1.00000E+00 volume  1.99783E+08 ppm1      8.988 ppm2      4.046

 ASSI {  732}
   (( segid "   A" and resid 65   and name  HA2 ))
   (( segid "   A" and resid 65   and name  HN  ))
      2.449     0.749     0.749 peak   732 weight  1.00000E+00 volume  1.23592E+08 ppm1      8.989 ppm2      3.549

 ASSI { 1404}
   (( segid "   A" and resid 65   and name  HA1 ))
   (( segid "   A" and resid 66   and name  HN  ))
      2.852     1.017     1.017 peak  1404 weight  1.00000E+00 volume  1.03921E+06 ppm1      4.073 ppm2      7.401

 ASSI {   72}
   (( segid "   A" and resid 65   and name  HN  ))
   (( segid "   A" and resid 66   and name  HN  ))
      2.711     0.919     0.919 peak    72 weight  1.00000E+00 volume  6.70858E+07 ppm1      8.989 ppm2      7.401

 ASSI { 2537}
   (( segid "   A" and resid 65   and name  HN  ))
   (( segid "   A" and resid 67   and name  HN  ))
      3.344     1.398     1.398 peak  2537 weight  1.00000E+00 volume  1.90600E+07 ppm1      7.430 ppm2      8.983

 ASSI { 2545}
   (( segid "   A" and resid 65   and name  HA1 ))
   (( segid "   A" and resid 68   and name  HN  ))
      3.283     1.347     1.347 peak  2545 weight  1.00000E+00 volume  2.12900E+07 ppm1      8.698 ppm2      3.551

 ASSI { 1411}
   (( segid "   A" and resid 66   and name  HN  ))
   (( segid "   A" and resid 66   and name  HA  ))
      2.268     0.643     0.643 peak  1411 weight  1.00000E+00 volume  4.11669E+06 ppm1      3.913 ppm2      7.393

 ASSI { 1425}
   (( segid "   A" and resid 66   and name  HB2 ))
   (( segid "   A" and resid 66   and name  HD2 ))
      2.292     0.657     0.657 peak  1425 weight  1.00000E+00 volume  3.86075E+06 ppm1      1.957 ppm2      3.216

 ASSI { 1427}
   (( segid "   A" and resid 66   and name  HN  ))
   (  segid "   A" and resid 66   and name  HD# )
      2.664     0.887     0.887 peak  1427 weight  1.00000E+00 volume  1.56593E+06 ppm1      3.216 ppm2      7.389

 ASSI { 1439}
   (( segid "   A" and resid 66   and name  HG1 ))
   (( segid "   A" and resid 66   and name  HG2 ))
      1.942     0.471     0.471 peak  1439 weight  1.00000E+00 volume  1.04338E+07 ppm1      1.533 ppm2      1.890

 ASSI { 1442}
   (  segid "   A" and resid 66   and name  HD# )
   (( segid "   A" and resid 66   and name  HG1 ))
      2.222     0.617     0.617 peak  1442 weight  1.00000E+00 volume  4.64621E+06 ppm1      1.535 ppm2      3.225

 ASSI { 1443}
   (  segid "   A" and resid 66   and name  HD# )
   (( segid "   A" and resid 66   and name  HG2 ))
      2.308     0.666     0.666 peak  1443 weight  1.00000E+00 volume  3.70572E+06 ppm1      1.869 ppm2      3.217

 ASSI { 1445}
   (( segid "   A" and resid 66   and name  HA  ))
   (( segid "   A" and resid 66   and name  HG1 ))
      2.824     0.997     0.997 peak  1445 weight  1.00000E+00 volume  1.10333E+06 ppm1      1.527 ppm2      3.894

 ASSI { 1406}
   (( segid "   A" and resid 66   and name  HA  ))
   (( segid "   A" and resid 66   and name  HB1 ))
      1.838     0.422     0.422 peak  1406 weight  1.00000E+00 volume  1.45149E+07 ppm1      3.914 ppm2      1.945

 ASSI { 1648}
   (( segid "   A" and resid 66   and name  HN  ))
   (( segid "   A" and resid 66   and name  HB2 ))
      2.214     0.613     0.613 peak  1648 weight  1.00000E+00 volume  2.07275E+07 ppm1      7.392 ppm2      1.952

 ASSI { 2540}
   (  segid "   A" and resid 66   and name  HD# )
   (( segid "   A" and resid 67   and name  HN  ))
      3.198     1.278     1.278 peak  2540 weight  1.00000E+00 volume  2.49100E+07 ppm1      7.426 ppm2      3.210

 ASSI { 2541}
   (( segid "   A" and resid 66   and name  HG1 ))
   (( segid "   A" and resid 67   and name  HN  ))
      2.972     1.104     1.104 peak  2541 weight  1.00000E+00 volume  3.86600E+07 ppm1      7.432 ppm2      1.517

 ASSI { 1689}
   (( segid "   A" and resid 66   and name  HA  ))
   (( segid "   A" and resid 71   and name  HN  ))
      3.167     1.254     1.254 peak  1689 weight  1.00000E+00 volume  2.63898E+07 ppm1      7.850 ppm2      3.895

 ASSI { 2559}
   (( segid "   A" and resid 66   and name  HG2 ))
   (( segid "   A" and resid 71   and name  HN  ))
      3.118     1.215     1.215 peak  2559 weight  1.00000E+00 volume  2.89900E+07 ppm1      7.847 ppm2      1.883

 ASSI { 1700}
   (( segid "   A" and resid 66   and name  HA  ))
   (( segid "   A" and resid 72   and name  HN  ))
      2.797     0.978     0.978 peak  1700 weight  1.00000E+00 volume  5.56462E+07 ppm1      7.348 ppm2      3.908

 ASSI { 1625}
   (( segid "   A" and resid 67   and name  HG12))
   (( segid "   A" and resid 63   and name  HE21))
      3.608     1.627     1.627 peak  1625 weight  1.00000E+00 volume  1.20762E+07 ppm1      6.817 ppm2      1.779

 ASSI { 1624}
   (( segid "   A" and resid 67   and name  HG12))
   (( segid "   A" and resid 63   and name  HE22))
      3.324     1.381     1.381 peak  1624 weight  1.00000E+00 volume  1.97530E+07 ppm1      7.279 ppm2      1.789

 ASSI { 1507}
   (  segid "   A" and resid 67   and name  HG2#)
   (( segid "   A" and resid 64   and name  HA  ))
      2.563     0.821     0.821 peak  1507 weight  1.00000E+00 volume  1.97716E+06 ppm1      1.043 ppm2      4.071
 OR { 1507}
   (  segid "   A" and resid 67   and name  HG2#)
   (( segid "   A" and resid 68   and name  HA  ))

 ASSI { 1434}
   (( segid "   A" and resid 67   and name  HG12))
   (( segid "   A" and resid 66   and name  HD1 ))
      2.152     0.579     0.579 peak  1434 weight  1.00000E+00 volume  5.63199E+06 ppm1      3.216 ppm2      1.792

 ASSI { 1452}
   (( segid "   A" and resid 67   and name  HA  ))
   (( segid "   A" and resid 67   and name  HB  ))
      2.675     0.894     0.894 peak  1452 weight  1.00000E+00 volume  2.45672E+05 ppm1      3.854 ppm2      2.058

 ASSI { 1454}
   (( segid "   A" and resid 67   and name  HG11))
   (( segid "   A" and resid 67   and name  HA  ))
      2.632     0.866     0.866 peak  1454 weight  1.00000E+00 volume  1.68219E+06 ppm1      3.849 ppm2      1.300

 ASSI {  736}
   (( segid "   A" and resid 67   and name  HA  ))
   (( segid "   A" and resid 67   and name  HN  ))
      2.452     0.751     0.751 peak   736 weight  1.00000E+00 volume  1.22664E+08 ppm1      7.429 ppm2      3.844

 ASSI { 1462}
   (( segid "   A" and resid 67   and name  HG11))
   (( segid "   A" and resid 67   and name  HB  ))
      2.562     0.821     0.821 peak  1462 weight  1.00000E+00 volume  1.37509E+06 ppm1      2.035 ppm2      1.289

 ASSI { 1463}
   (  segid "   A" and resid 67   and name  HG2#)
   (( segid "   A" and resid 67   and name  HB  ))
      2.134     0.569     0.569 peak  1463 weight  1.00000E+00 volume  4.83482E+06 ppm1      2.033 ppm2      1.031

 ASSI {  516}
   (( segid "   A" and resid 67   and name  HB  ))
   (( segid "   A" and resid 67   and name  HN  ))
      2.128     0.566     0.566 peak   516 weight  1.00000E+00 volume  2.86660E+08 ppm1      7.429 ppm2      2.001

 ASSI { 1472}
   (( segid "   A" and resid 67   and name  HG12))
   (  segid "   A" and resid 67   and name  HD1#)
      1.981     0.491     0.491 peak  1472 weight  1.00000E+00 volume  9.24905E+06 ppm1      0.930 ppm2      1.807

 ASSI { 1464}
   (( segid "   A" and resid 67   and name  HB  ))
   (  segid "   A" and resid 67   and name  HD1#)
      2.072     0.537     0.537 peak  1464 weight  1.00000E+00 volume  4.21754E+06 ppm1      2.032 ppm2      0.931

 ASSI { 1015}
   (( segid "   A" and resid 67   and name  HG11))
   (( segid "   A" and resid 67   and name  HG12))
      2.005     0.502     0.502 peak  1015 weight  1.00000E+00 volume  8.62786E+06 ppm1      1.802 ppm2      1.311

 ASSI { 1470}
   (( segid "   A" and resid 67   and name  HG11))
   (  segid "   A" and resid 67   and name  HD1#)
      1.987     0.494     0.494 peak  1470 weight  1.00000E+00 volume  9.09512E+06 ppm1      0.928 ppm2      1.289

 ASSI { 1453}
   (( segid "   A" and resid 67   and name  HG12))
   (( segid "   A" and resid 67   and name  HA  ))
      2.329     0.678     0.678 peak  1453 weight  1.00000E+00 volume  3.50856E+06 ppm1      3.855 ppm2      1.782

 ASSI { 1150}
   (( segid "   A" and resid 67   and name  HG11))
   (( segid "   A" and resid 67   and name  HN  ))
      2.543     0.809     0.809 peak  1150 weight  1.00000E+00 volume  9.84307E+07 ppm1      7.429 ppm2      1.285

 ASSI { 1503}
   (( segid "   A" and resid 67   and name  HG12))
   (  segid "   A" and resid 67   and name  HG2#)
      2.224     0.618     0.618 peak  1503 weight  1.00000E+00 volume  4.63205E+06 ppm1      1.046 ppm2      1.810

 ASSI { 1506}
   (  segid "   A" and resid 67   and name  HG2#)
   (( segid "   A" and resid 67   and name  HA  ))
      2.331     0.679     0.679 peak  1506 weight  1.00000E+00 volume  3.49183E+06 ppm1      1.045 ppm2      3.850

 ASSI { 1149}
   (( segid "   A" and resid 67   and name  HG12))
   (( segid "   A" and resid 67   and name  HN  ))
      2.318     0.671     0.671 peak  1149 weight  1.00000E+00 volume  1.71839E+08 ppm1      7.429 ppm2      1.792

 ASSI { 1152}
   (( segid "   A" and resid 67   and name  HN  ))
   (  segid "   A" and resid 67   and name  HD1#)
      2.538     0.805     0.805 peak  1152 weight  1.00000E+00 volume  9.96317E+07 ppm1      7.428 ppm2      0.906

 ASSI { 3723}
   (  segid "   A" and resid 67   and name  HG2#)
   (( segid "   A" and resid 68   and name  HA  ))
      2.563     0.821     0.821 peak  3723 weight  1.00000E+00 volume  1.97700E+06 ppm1      1.043 ppm2      4.071

 ASSI {   74}
   (( segid "   A" and resid 67   and name  HN  ))
   (( segid "   A" and resid 68   and name  HN  ))
      2.563     0.821     0.821 peak    74 weight  1.00000E+00 volume  9.39568E+07 ppm1      7.430 ppm2      8.692

 ASSI {  517}
   (( segid "   A" and resid 67   and name  HA  ))
   (( segid "   A" and resid 68   and name  HN  ))
      2.993     1.120     1.120 peak   517 weight  1.00000E+00 volume  3.70554E+07 ppm1      8.698 ppm2      3.866

 ASSI { 1664}
   (  segid "   A" and resid 67   and name  HG2#)
   (( segid "   A" and resid 68   and name  HN  ))
      2.539     0.806     0.806 peak  1664 weight  1.00000E+00 volume  9.93543E+07 ppm1      8.698 ppm2      1.092

 ASSI { 2546}
   (( segid "   A" and resid 67   and name  HB  ))
   (( segid "   A" and resid 68   and name  HN  ))
      2.514     0.790     0.790 peak  2546 weight  1.00000E+00 volume  1.05500E+08 ppm1      8.698 ppm2      2.000

 ASSI { 2547}
   (( segid "   A" and resid 67   and name  HG11))
   (( segid "   A" and resid 68   and name  HN  ))
      2.996     1.122     1.122 peak  2547 weight  1.00000E+00 volume  3.68318E+07 ppm1      8.698 ppm2      1.291

 ASSI { 3706}
   (( segid "   A" and resid 67   and name  HA  ))
   (  segid "   A" and resid 71   and name  HB# )
      2.748     0.944     0.944 peak  3706 weight  1.00000E+00 volume  1.30000E+06 ppm1      3.854 ppm2      3.222

 ASSI { 3733}
   (  segid "   A" and resid 68   and name  HD1#)
   (( segid "   A" and resid 21   and name  HA  ))
      2.287     0.654     0.654 peak  3733 weight  1.00000E+00 volume  3.91600E+06 ppm1      0.649 ppm2      3.362

 ASSI { 1371}
   (  segid "   A" and resid 68   and name  HD2#)
   (  segid "   A" and resid 64   and name  HD2#)
      1.731     0.375     0.375 peak  1371 weight  1.00000E+00 volume  6.99843E+06 ppm1      0.862 ppm2      0.643

 ASSI { 3684}
   (  segid "   A" and resid 68   and name  HD1#)
   (  segid "   A" and resid 64   and name  HD1#)
      1.893     0.448     0.448 peak  3684 weight  1.00000E+00 volume  6.99800E+06 ppm1      0.862 ppm2      0.643

 ASSI { 3731}
   (  segid "   A" and resid 68   and name  HD1#)
   (( segid "   A" and resid 64   and name  HG  ))
      2.687     0.902     0.902 peak  3731 weight  1.00000E+00 volume  1.48800E+06 ppm1      0.647 ppm2      1.508

 ASSI { 1549}
   (  segid "   A" and resid 68   and name  HD1#)
   (( segid "   A" and resid 65   and name  HA2 ))
      2.923     1.068     1.068 peak  1549 weight  1.00000E+00 volume  8.98016E+05 ppm1      0.649 ppm2      3.553

 ASSI { 1779}
   (  segid "   A" and resid 68   and name  HD1#)
   (( segid "   A" and resid 65   and name  HA1 ))
      2.945     1.084     1.084 peak  1779 weight  1.00000E+00 volume  8.58744E+05 ppm1      0.603 ppm2      3.996

 ASSI { 3720}
   (  segid "   A" and resid 68   and name  HD2#)
   (  segid "   A" and resid 67   and name  HG2#)
      2.496     0.779     0.779 peak  3720 weight  1.00000E+00 volume  2.31700E+06 ppm1      1.047 ppm2      0.645

 ASSI { 3727}
   (  segid "   A" and resid 68   and name  HD2#)
   (( segid "   A" and resid 67   and name  HB  ))
      2.539     0.806     0.806 peak  3727 weight  1.00000E+00 volume  2.09000E+06 ppm1      0.620 ppm2      2.045

 ASSI { 3732}
   (  segid "   A" and resid 68   and name  HD1#)
   (( segid "   A" and resid 67   and name  HB  ))
      2.733     0.934     0.934 peak  3732 weight  1.00000E+00 volume  1.34400E+06 ppm1      0.646 ppm2      2.051

 ASSI { 2544}
   (  segid "   A" and resid 68   and name  HD# )
   (( segid "   A" and resid 67   and name  HN  ))
      3.487     1.520     1.520 peak  2544 weight  1.00000E+00 volume  1.48200E+07 ppm1      7.431 ppm2      0.637

 ASSI {  701}
   (  segid "   A" and resid 68   and name  HD2#)
   (( segid "   A" and resid 68   and name  HB2 ))
      2.240     0.627     0.627 peak   701 weight  1.00000E+00 volume  1.86659E+06 ppm1      1.150 ppm2      0.627

 ASSI { 1514}
   (( segid "   A" and resid 68   and name  HB2 ))
   (( segid "   A" and resid 68   and name  HA  ))
      2.431     0.739     0.739 peak  1514 weight  1.00000E+00 volume  2.71269E+06 ppm1      4.069 ppm2      1.164

 ASSI { 1517}
   (( segid "   A" and resid 68   and name  HB1 ))
   (( segid "   A" and resid 68   and name  HN  ))
      2.720     0.925     0.925 peak  1517 weight  1.00000E+00 volume  1.38341E+06 ppm1      1.866 ppm2      8.697

 ASSI { 1518}
   (( segid "   A" and resid 68   and name  HB1 ))
   (( segid "   A" and resid 68   and name  HA  ))
      2.618     0.857     0.857 peak  1518 weight  1.00000E+00 volume  1.73939E+06 ppm1      1.865 ppm2      4.070

 ASSI { 1520}
   (( segid "   A" and resid 68   and name  HB2 ))
   (( segid "   A" and resid 68   and name  HB1 ))
      2.309     0.666     0.666 peak  1520 weight  1.00000E+00 volume  3.69388E+06 ppm1      1.150 ppm2      1.866

 ASSI { 1523}
   (  segid "   A" and resid 68   and name  HD2#)
   (( segid "   A" and resid 68   and name  HB1 ))
      2.330     0.679     0.679 peak  1523 weight  1.00000E+00 volume  3.49629E+06 ppm1      1.872 ppm2      0.637

 ASSI { 1532}
   (  segid "   A" and resid 68   and name  HD2#)
   (( segid "   A" and resid 68   and name  HG  ))
      2.059     0.530     0.530 peak  1532 weight  1.00000E+00 volume  7.35066E+06 ppm1      0.621 ppm2      1.831

 ASSI { 1512}
   (  segid "   A" and resid 68   and name  HD2#)
   (( segid "   A" and resid 68   and name  HA  ))
      2.078     0.540     0.540 peak  1512 weight  1.00000E+00 volume  6.93738E+06 ppm1      4.070 ppm2      0.633

 ASSI { 1540}
   (  segid "   A" and resid 68   and name  HD2#)
   (( segid "   A" and resid 68   and name  HN  ))
      2.575     0.829     0.829 peak  1540 weight  1.00000E+00 volume  1.92137E+06 ppm1      0.621 ppm2      8.682

 ASSI { 1543}
   (  segid "   A" and resid 68   and name  HD1#)
   (( segid "   A" and resid 68   and name  HB2 ))
      2.398     0.719     0.719 peak  1543 weight  1.00000E+00 volume  2.94657E+06 ppm1      0.651 ppm2      1.114

 ASSI { 1546}
   (  segid "   A" and resid 68   and name  HD1#)
   (( segid "   A" and resid 68   and name  HG  ))
      2.024     0.512     0.512 peak  1546 weight  1.00000E+00 volume  8.15203E+06 ppm1      0.648 ppm2      1.822

 ASSI { 1551}
   (  segid "   A" and resid 68   and name  HD1#)
   (( segid "   A" and resid 68   and name  HA  ))
      2.561     0.820     0.820 peak  1551 weight  1.00000E+00 volume  1.98317E+06 ppm1      0.648 ppm2      4.070

 ASSI { 1552}
   (  segid "   A" and resid 68   and name  HD1#)
   (( segid "   A" and resid 68   and name  HN  ))
      2.592     0.840     0.840 peak  1552 weight  1.00000E+00 volume  1.84516E+06 ppm1      0.648 ppm2      8.676

 ASSI { 1156}
   (( segid "   A" and resid 68   and name  HN  ))
   (( segid "   A" and resid 68   and name  HA  ))
      2.546     0.810     0.810 peak  1156 weight  1.00000E+00 volume  9.77341E+07 ppm1      8.697 ppm2      4.054

 ASSI {   76}
   (( segid "   A" and resid 68   and name  HN  ))
   (( segid "   A" and resid 69   and name  HN  ))
      2.753     0.948     0.948 peak    76 weight  1.00000E+00 volume  6.11653E+07 ppm1      8.698 ppm2      8.378

 ASSI { 2386}
   (( segid "   A" and resid 68   and name  HA  ))
   (( segid "   A" and resid 69   and name  HN  ))
      3.086     1.190     1.190 peak  2386 weight  1.00000E+00 volume  3.08500E+07 ppm1      8.380 ppm2      4.056

 ASSI { 2910}
   (( segid "   A" and resid 69   and name  HB2 ))
   (( segid "   A" and resid 69   and name  HB1 ))
      1.747     0.382     0.382 peak  2910 weight  1.00000E+00 volume  1.96758E+07 ppm1      1.772 ppm2      1.940

 ASSI {  737}
   (( segid "   A" and resid 69   and name  HN  ))
   (( segid "   A" and resid 69   and name  HA  ))
      2.759     0.951     0.951 peak   737 weight  1.00000E+00 volume  6.04378E+07 ppm1      8.375 ppm2      3.890

 ASSI {  738}
   (( segid "   A" and resid 69   and name  HB2 ))
   (( segid "   A" and resid 69   and name  HN  ))
      2.874     1.033     1.033 peak   738 weight  1.00000E+00 volume  4.72574E+07 ppm1      8.383 ppm2      1.715

 ASSI {  519}
   (( segid "   A" and resid 69   and name  HB2 ))
   (( segid "   A" and resid 70   and name  HN  ))
      2.586     0.836     0.836 peak   519 weight  1.00000E+00 volume  8.91754E+07 ppm1      7.772 ppm2      1.742

 ASSI { 1275}
   (( segid "   A" and resid 69   and name  HB1 ))
   (( segid "   A" and resid 70   and name  HN  ))
      2.781     0.967     0.967 peak  1275 weight  1.00000E+00 volume  5.75542E+07 ppm1      7.772 ppm2      1.960

 ASSI {  125}
   (( segid "   A" and resid 69   and name  HN  ))
   (( segid "   A" and resid 70   and name  HN  ))
      2.503     0.783     0.783 peak   125 weight  1.00000E+00 volume  1.08332E+08 ppm1      7.772 ppm2      8.379

 ASSI { 1558}
   (( segid "   A" and resid 70   and name  HB2 ))
   (( segid "   A" and resid 70   and name  HA  ))
      2.805     0.983     0.983 peak  1558 weight  1.00000E+00 volume  1.14962E+06 ppm1      3.228 ppm2      4.805

 ASSI {  739}
   (( segid "   A" and resid 70   and name  HA  ))
   (( segid "   A" and resid 70   and name  HN  ))
      2.645     0.875     0.875 peak   739 weight  1.00000E+00 volume  7.77436E+07 ppm1      7.772 ppm2      4.795

 ASSI {  740}
   (( segid "   A" and resid 70   and name  HB2 ))
   (( segid "   A" and resid 70   and name  HN  ))
      2.111     0.557     0.557 peak   740 weight  1.00000E+00 volume  3.01123E+08 ppm1      7.772 ppm2      3.191

 ASSI {  298}
   (( segid "   A" and resid 70   and name  HN  ))
   (( segid "   A" and resid 71   and name  HN  ))
      2.068     0.535     0.535 peak   298 weight  1.00000E+00 volume  3.40080E+08 ppm1      7.772 ppm2      7.841

 ASSI {  442}
   (( segid "   A" and resid 70   and name  HA  ))
   (( segid "   A" and resid 71   and name  HN  ))
      3.089     1.193     1.193 peak   442 weight  1.00000E+00 volume  3.06608E+07 ppm1      7.844 ppm2      4.786

 ASSI {  744}
   (( segid "   A" and resid 71   and name  HA  ))
   (( segid "   A" and resid 70   and name  HN  ))
      3.253     1.323     1.323 peak   744 weight  1.00000E+00 volume  2.24849E+07 ppm1      7.773 ppm2      4.410

 ASSI { 3734}
   (  segid "   A" and resid 71   and name  HB# )
   (( segid "   A" and resid 71   and name  HA  ))
      2.744     0.941     0.941 peak  3734 weight  1.00000E+00 volume  1.31200E+06 ppm1      3.236 ppm2      4.460

 ASSI {  742}
   (( segid "   A" and resid 71   and name  HA  ))
   (( segid "   A" and resid 71   and name  HN  ))
      2.822     0.995     0.995 peak   742 weight  1.00000E+00 volume  5.27376E+07 ppm1      7.846 ppm2      4.405

 ASSI { 2268}
   (  segid "   A" and resid 71   and name  HB# )
   (( segid "   A" and resid 71   and name  HN  ))
      2.499     0.780     0.780 peak  2268 weight  1.00000E+00 volume  1.09463E+08 ppm1      7.847 ppm2      3.223

 ASSI {  128}
   (( segid "   A" and resid 72   and name  HN  ))
   (( segid "   A" and resid 70   and name  HN  ))
      2.759     0.951     0.951 peak   128 weight  1.00000E+00 volume  6.04230E+07 ppm1      7.771 ppm2      7.375

 ASSI {  295}
   (( segid "   A" and resid 72   and name  HN  ))
   (( segid "   A" and resid 71   and name  HN  ))
      2.317     0.671     0.671 peak   295 weight  1.00000E+00 volume  1.71950E+08 ppm1      7.349 ppm2      7.844

 ASSI {  618}
   (( segid "   A" and resid 72   and name  HN  ))
   (( segid "   A" and resid 71   and name  HA  ))
      2.466     0.760     0.760 peak   618 weight  1.00000E+00 volume  1.18458E+08 ppm1      7.348 ppm2      4.406

 ASSI { 2560}
   (  segid "   A" and resid 72   and name  HG2#)
   (( segid "   A" and resid 71   and name  HN  ))
      2.913     1.061     1.061 peak  2560 weight  1.00000E+00 volume  4.36100E+07 ppm1      7.847 ppm2      0.958

 ASSI { 1566}
   (( segid "   A" and resid 72   and name  HB  ))
   (( segid "   A" and resid 72   and name  HA  ))
      2.757     0.950     0.950 peak  1566 weight  1.00000E+00 volume  1.27472E+06 ppm1      1.903 ppm2      4.997

 ASSI { 1567}
   (( segid "   A" and resid 72   and name  HB  ))
   (( segid "   A" and resid 72   and name  HN  ))
      2.789     0.973     0.973 peak  1567 weight  1.00000E+00 volume  1.18880E+06 ppm1      1.898 ppm2      7.375

 ASSI { 1571}
   (  segid "   A" and resid 72   and name  HG1#)
   (( segid "   A" and resid 72   and name  HA  ))
      2.163     0.585     0.585 peak  1571 weight  1.00000E+00 volume  5.47411E+06 ppm1      0.873 ppm2      4.990

 ASSI { 1581}
   (  segid "   A" and resid 72   and name  HG2#)
   (( segid "   A" and resid 72   and name  HB  ))
      2.044     0.522     0.522 peak  1581 weight  1.00000E+00 volume  7.67763E+06 ppm1      0.966 ppm2      1.895

 ASSI { 3735}
   (  segid "   A" and resid 72   and name  HG1#)
   (( segid "   A" and resid 72   and name  HB  ))
      2.048     0.524     0.524 peak  3735 weight  1.00000E+00 volume  7.59700E+06 ppm1      1.896 ppm2      0.914

 ASSI { 3861}
   (  segid "   A" and resid 72   and name  HG2#)
   (( segid "   A" and resid 72   and name  HA  ))
      2.761     0.953     0.953 peak  3861 weight  1.00000E+00 volume  1.26300E+06 ppm1      0.996 ppm2      4.997

 ASSI {  746}
   (( segid "   A" and resid 72   and name  HA  ))
   (( segid "   A" and resid 72   and name  HN  ))
      2.546     0.810     0.810 peak   746 weight  1.00000E+00 volume  9.78262E+07 ppm1      7.348 ppm2      4.969

 ASSI { 2571}
   (  segid "   A" and resid 72   and name  HG2#)
   (( segid "   A" and resid 72   and name  HN  ))
      2.266     0.642     0.642 peak  2571 weight  1.00000E+00 volume  1.96600E+08 ppm1      7.348 ppm2      0.950

 ASSI { 2579}
   (  segid "   A" and resid 72   and name  HG1#)
   (( segid "   A" and resid 73   and name  HN  ))
      2.185     0.597     0.597 peak  2579 weight  1.00000E+00 volume  2.44500E+08 ppm1      9.381 ppm2      0.856

 ASSI { 1619}
   (( segid "   A" and resid 72   and name  HA  ))
   (  segid "   A" and resid 73   and name  HG2#)
      2.595     0.842     0.842 peak  1619 weight  1.00000E+00 volume  1.83362E+06 ppm1      1.154 ppm2      4.982

 ASSI {  292}
   (( segid "   A" and resid 72   and name  HN  ))
   (( segid "   A" and resid 73   and name  HN  ))
      3.162     1.250     1.250 peak   292 weight  1.00000E+00 volume  2.66348E+07 ppm1      9.375 ppm2      7.349

 ASSI {  522}
   (( segid "   A" and resid 72   and name  HA  ))
   (( segid "   A" and resid 73   and name  HN  ))
      2.257     0.637     0.637 peak   522 weight  1.00000E+00 volume  2.01489E+08 ppm1      9.381 ppm2      4.965

 ASSI { 2575}
   (( segid "   A" and resid 72   and name  HB  ))
   (( segid "   A" and resid 73   and name  HN  ))
      3.001     1.125     1.125 peak  2575 weight  1.00000E+00 volume  3.65000E+07 ppm1      9.380 ppm2      1.900

 ASSI { 2578}
   (  segid "   A" and resid 72   and name  HG2#)
   (( segid "   A" and resid 73   and name  HN  ))
      2.630     0.864     0.864 peak  2578 weight  1.00000E+00 volume  8.05700E+07 ppm1      9.384 ppm2      0.972

 ASSI { 2439}
   (  segid "   A" and resid 73   and name  HG2#)
   (( segid "   A" and resid 39   and name  HN  ))
      3.250     1.321     1.321 peak  2439 weight  1.00000E+00 volume  2.25900E+07 ppm1      9.224 ppm2      1.127

 ASSI { 1598}
   (( segid "   A" and resid 73   and name  HB  ))
   (  segid "   A" and resid 73   and name  HG1#)
      1.691     0.357     0.357 peak  1598 weight  1.00000E+00 volume  2.39755E+07 ppm1      0.891 ppm2      2.042

 ASSI { 1597}
   (  segid "   A" and resid 73   and name  HG2#)
   (  segid "   A" and resid 73   and name  HG1#)
      1.704     0.363     0.363 peak  1597 weight  1.00000E+00 volume  2.28419E+07 ppm1      0.874 ppm2      1.146

 ASSI { 1594}
   (( segid "   A" and resid 73   and name  HB  ))
   (  segid "   A" and resid 73   and name  HG2#)
      2.044     0.522     0.522 peak  1594 weight  1.00000E+00 volume  3.16762E+06 ppm1      2.033 ppm2      1.169

 ASSI { 2685}
   (( segid "   A" and resid 73   and name  HB  ))
   (( segid "   A" and resid 73   and name  HA  ))
      2.385     0.711     0.711 peak  2685 weight  1.00000E+00 volume  3.04000E+06 ppm1      2.057 ppm2      4.392

 ASSI {  747}
   (( segid "   A" and resid 73   and name  HN  ))
   (( segid "   A" and resid 73   and name  HA  ))
      2.890     1.044     1.044 peak   747 weight  1.00000E+00 volume  4.57294E+07 ppm1      9.381 ppm2      4.402

 ASSI { 2574}
   (( segid "   A" and resid 73   and name  HN  ))
   (( segid "   A" and resid 73   and name  HB  ))
      2.570     0.825     0.825 peak  2574 weight  1.00000E+00 volume  9.25000E+07 ppm1      9.380 ppm2      2.010

 ASSI { 2577}
   (( segid "   A" and resid 73   and name  HN  ))
   (  segid "   A" and resid 73   and name  HG2#)
      2.848     1.014     1.014 peak  2577 weight  1.00000E+00 volume  4.98800E+07 ppm1      9.384 ppm2      1.137

 ASSI { 2580}
   (( segid "   A" and resid 73   and name  HB  ))
   (( segid "   A" and resid 74   and name  HN  ))
      3.157     1.245     1.245 peak  2580 weight  1.00000E+00 volume  2.69300E+07 ppm1      9.303 ppm2      2.013

 ASSI { 2583}
   (  segid "   A" and resid 73   and name  HG1#)
   (( segid "   A" and resid 74   and name  HN  ))
      2.457     0.755     0.755 peak  2583 weight  1.00000E+00 volume  1.21100E+08 ppm1      9.304 ppm2      0.858

 ASSI { 4279}
   (  segid "   A" and resid 73   and name  HG2#)
   (  segid "   A" and resid 77   and name  HE# )
      1.980     0.490     0.490 peak  4279 weight  1.00000E+00 volume  9.30490E+06 ppm1      1.157 ppm2      6.828

 ASSI { 1864}
   (  segid "   A" and resid 73   and name  HG2#)
   (( segid "   A" and resid 91   and name  HN  ))
      3.556     1.580     1.580 peak  1864 weight  1.00000E+00 volume  1.31794E+07 ppm1      9.589 ppm2      1.121

 ASSI { 2678}
   (  segid "   A" and resid 73   and name  HG1#)
   (( segid "   A" and resid 91   and name  HN  ))
      2.625     0.861     0.861 peak  2678 weight  1.00000E+00 volume  8.15000E+07 ppm1      9.591 ppm2      0.861

 ASSI { 1435}
   (( segid "   A" and resid 74   and name  HA  ))
   (( segid "   A" and resid 36   and name  HN  ))
      3.241     1.313     1.313 peak  1435 weight  1.00000E+00 volume  2.30023E+07 ppm1      8.473 ppm2      4.537

 ASSI { 2429}
   (( segid "   A" and resid 74   and name  HA  ))
   (( segid "   A" and resid 37   and name  HN  ))
      3.020     1.140     1.140 peak  2429 weight  1.00000E+00 volume  3.51300E+07 ppm1      9.582 ppm2      4.542

 ASSI {  435}
   (( segid "   A" and resid 74   and name  HN  ))
   (( segid "   A" and resid 73   and name  HA  ))
      2.171     0.589     0.589 peak   435 weight  1.00000E+00 volume  2.54709E+08 ppm1      9.303 ppm2      4.403

 ASSI { 1627}
   (( segid "   A" and resid 74   and name  HA  ))
   (  segid "   A" and resid 74   and name  HB# )
      1.943     0.472     0.472 peak  1627 weight  1.00000E+00 volume  1.03995E+07 ppm1      1.436 ppm2      4.567

 ASSI {  749}
   (( segid "   A" and resid 74   and name  HA  ))
   (( segid "   A" and resid 74   and name  HN  ))
      2.661     0.885     0.885 peak   749 weight  1.00000E+00 volume  7.50550E+07 ppm1      9.304 ppm2      4.540

 ASSI {  750}
   (( segid "   A" and resid 74   and name  HN  ))
   (  segid "   A" and resid 74   and name  HB# )
      2.000     0.500     0.500 peak   750 weight  1.00000E+00 volume  2.72598E+08 ppm1      9.303 ppm2      1.417

 ASSI {  524}
   (( segid "   A" and resid 74   and name  HA  ))
   (( segid "   A" and resid 75   and name  HN  ))
      2.095     0.549     0.549 peak   524 weight  1.00000E+00 volume  3.14911E+08 ppm1      7.929 ppm2      4.542

 ASSI { 2279}
   (( segid "   A" and resid 74   and name  HN  ))
   (( segid "   A" and resid 91   and name  HN  ))
      2.988     1.116     1.116 peak  2279 weight  1.00000E+00 volume  3.74400E+07 ppm1      9.304 ppm2      9.575

 ASSI { 1733}
   (( segid "   A" and resid 75   and name  HN  ))
   (( segid "   A" and resid 35   and name  HA  ))
      3.795     1.800     1.800 peak  1733 weight  1.00000E+00 volume  8.92427E+06 ppm1      7.929 ppm2      5.015

 ASSI {  281}
   (( segid "   A" and resid 75   and name  HN  ))
   (( segid "   A" and resid 36   and name  HN  ))
      3.231     1.305     1.305 peak   281 weight  1.00000E+00 volume  2.34269E+07 ppm1      7.929 ppm2      8.457

 ASSI {   85}
   (( segid "   A" and resid 75   and name  HN  ))
   (( segid "   A" and resid 37   and name  HN  ))
      2.984     1.113     1.113 peak    85 weight  1.00000E+00 volume  3.40424E+07 ppm1      9.582 ppm2      7.927

 ASSI { 1626}
   (( segid "   A" and resid 75   and name  HA1 ))
   (  segid "   A" and resid 74   and name  HB# )
      2.898     1.050     1.050 peak  1626 weight  1.00000E+00 volume  9.44676E+05 ppm1      1.436 ppm2      3.095

 ASSI {  158}
   (( segid "   A" and resid 75   and name  HN  ))
   (( segid "   A" and resid 74   and name  HN  ))
      3.256     1.325     1.325 peak   158 weight  1.00000E+00 volume  2.23717E+07 ppm1      9.304 ppm2      7.924

 ASSI {  523}
   (( segid "   A" and resid 75   and name  HN  ))
   (  segid "   A" and resid 74   and name  HB# )
      2.222     0.617     0.617 peak   523 weight  1.00000E+00 volume  1.56714E+08 ppm1      7.929 ppm2      1.415

 ASSI { 1029}
   (( segid "   A" and resid 75   and name  HA1 ))
   (( segid "   A" and resid 75   and name  HA2 ))
      2.020     0.510     0.510 peak  1029 weight  1.00000E+00 volume  8.22979E+06 ppm1      3.097 ppm2      4.066

 ASSI {  751}
   (( segid "   A" and resid 75   and name  HN  ))
   (( segid "   A" and resid 75   and name  HA2 ))
      2.473     0.765     0.765 peak   751 weight  1.00000E+00 volume  1.16424E+08 ppm1      7.929 ppm2      4.046

 ASSI {  752}
   (( segid "   A" and resid 75   and name  HN  ))
   (( segid "   A" and resid 75   and name  HA1 ))
      2.485     0.772     0.772 peak   752 weight  1.00000E+00 volume  1.13211E+08 ppm1      7.929 ppm2      3.057

 ASSI { 1732}
   (( segid "   A" and resid 75   and name  HN  ))
   (( segid "   A" and resid 121  and name  HA1 ))
      3.723     1.732     1.732 peak  1732 weight  1.00000E+00 volume  1.00068E+07 ppm1      7.935 ppm2      5.362

 ASSI { 1654}
   (  segid "   A" and resid 76   and name  HB# )
   (( segid "   A" and resid 36   and name  HN  ))
      2.361     0.697     0.697 peak  1654 weight  1.00000E+00 volume  3.23173E+06 ppm1      0.967 ppm2      8.453
 OR { 1654}
   (  segid "   A" and resid 76   and name  HB# )
   (( segid "   A" and resid 77   and name  HN  ))

 ASSI { 2428}
   (  segid "   A" and resid 76   and name  HB# )
   (( segid "   A" and resid 36   and name  HN  ))
      2.732     0.933     0.933 peak  2428 weight  1.00000E+00 volume  6.40900E+07 ppm1      8.476 ppm2      0.945

 ASSI { 2589}
   (( segid "   A" and resid 76   and name  HN  ))
   (( segid "   A" and resid 74   and name  HA  ))
      3.517     1.546     1.546 peak  2589 weight  1.00000E+00 volume  1.40700E+07 ppm1      7.868 ppm2      4.529

 ASSI { 1638}
   (( segid "   A" and resid 76   and name  HN  ))
   (( segid "   A" and resid 75   and name  HA1 ))
      2.266     0.642     0.642 peak  1638 weight  1.00000E+00 volume  4.13275E+06 ppm1      3.093 ppm2      7.870

 ASSI {  612}
   (( segid "   A" and resid 76   and name  HN  ))
   (( segid "   A" and resid 75   and name  HA2 ))
      2.187     0.598     0.598 peak   612 weight  1.00000E+00 volume  2.43620E+08 ppm1      7.867 ppm2      4.050

 ASSI { 1640}
   (  segid "   A" and resid 76   and name  HB# )
   (( segid "   A" and resid 76   and name  HA  ))
      2.057     0.529     0.529 peak  1640 weight  1.00000E+00 volume  4.24295E+06 ppm1      4.121 ppm2      0.972

 ASSI {  754}
   (  segid "   A" and resid 76   and name  HB# )
   (( segid "   A" and resid 76   and name  HN  ))
      2.127     0.565     0.565 peak   754 weight  1.00000E+00 volume  2.67705E+08 ppm1      7.867 ppm2      0.950

 ASSI {  753}
   (( segid "   A" and resid 76   and name  HN  ))
   (( segid "   A" and resid 76   and name  HA  ))
      2.263     0.640     0.640 peak   753 weight  1.00000E+00 volume  1.98519E+08 ppm1      7.868 ppm2      4.097

 ASSI {  526}
   (( segid "   A" and resid 76   and name  HA  ))
   (( segid "   A" and resid 77   and name  HN  ))
      2.183     0.596     0.596 peak   526 weight  1.00000E+00 volume  2.46246E+08 ppm1      8.439 ppm2      4.097

 ASSI {  276}
   (( segid "   A" and resid 76   and name  HN  ))
   (( segid "   A" and resid 77   and name  HN  ))
      3.018     1.138     1.138 peak   276 weight  1.00000E+00 volume  3.52839E+07 ppm1      7.862 ppm2      8.437

 ASSI { 3758}
   (  segid "   A" and resid 76   and name  HB# )
   (( segid "   A" and resid 121  and name  HA2 ))
      2.521     0.795     0.795 peak  3758 weight  1.00000E+00 volume  2.17900E+06 ppm1      0.971 ppm2      3.572

 ASSI {  111}
   (  segid "   A" and resid 77   and name  HB# )
   (  segid "   A" and resid 37   and name  HG2#)
      2.751     0.946     0.946 peak   111 weight  1.00000E+00 volume  1.29176E+06 ppm1      2.701 ppm2      1.019

 ASSI { 3605}
   (( segid "   A" and resid 77   and name  HB2 ))
   (  segid "   A" and resid 37   and name  HG2#)
      2.486     0.773     0.773 peak  3605 weight  1.00000E+00 volume  2.36900E+06 ppm1      1.035 ppm2      2.719

 ASSI { 1656}
   (( segid "   A" and resid 77   and name  HB1 ))
   (( segid "   A" and resid 77   and name  HN  ))
      2.679     0.897     0.897 peak  1656 weight  1.00000E+00 volume  1.51447E+06 ppm1      2.693 ppm2      8.426

 ASSI {  757}
   (( segid "   A" and resid 77   and name  HN  ))
   (( segid "   A" and resid 77   and name  HA  ))
      2.715     0.922     0.922 peak   757 weight  1.00000E+00 volume  6.64541E+07 ppm1      8.441 ppm2      4.935

 ASSI {  759}
   (( segid "   A" and resid 77   and name  HB2 ))
   (( segid "   A" and resid 77   and name  HN  ))
      2.743     0.941     0.941 peak   759 weight  1.00000E+00 volume  6.24933E+07 ppm1      8.441 ppm2      2.800

 ASSI {  530}
   (( segid "   A" and resid 77   and name  HB2 ))
   (( segid "   A" and resid 78   and name  HN  ))
      3.150     1.240     1.240 peak   530 weight  1.00000E+00 volume  2.72726E+07 ppm1      9.087 ppm2      2.841

 ASSI { 1692}
   (( segid "   A" and resid 77   and name  HB1 ))
   (( segid "   A" and resid 81   and name  HB1 ))
      2.117     0.560     0.560 peak  1692 weight  1.00000E+00 volume  6.21655E+06 ppm1      2.913 ppm2      2.691

 ASSI { 1665}
   (( segid "   A" and resid 77   and name  HB2 ))
   (  segid "   A" and resid 82   and name  HD2#)
      2.711     0.919     0.919 peak  1665 weight  1.00000E+00 volume  1.41082E+06 ppm1      2.799 ppm2      0.744

 ASSI { 3437}
   (( segid "   A" and resid 77   and name  HB1 ))
   (  segid "   A" and resid 82   and name  HD2#)
      2.491     0.775     0.775 peak  3437 weight  1.00000E+00 volume  2.34500E+06 ppm1      2.706 ppm2      0.756

 ASSI { 3761}
   (( segid "   A" and resid 77   and name  HB2 ))
   (( segid "   A" and resid 82   and name  HG  ))
      2.719     0.924     0.924 peak  3761 weight  1.00000E+00 volume  1.38500E+06 ppm1      2.810 ppm2      1.738

 ASSI { 3784}
   (( segid "   A" and resid 77   and name  HB2 ))
   (  segid "   A" and resid 82   and name  HD1#)
      2.887     1.042     1.042 peak  3784 weight  1.00000E+00 volume  9.67400E+05 ppm1      0.605 ppm2      2.778

 ASSI { 2633}
   (( segid "   A" and resid 77   and name  HB2 ))
   (( segid "   A" and resid 82   and name  HN  ))
      3.230     1.304     1.304 peak  2633 weight  1.00000E+00 volume  2.34700E+07 ppm1      8.337 ppm2      2.666

 ASSI { 1752}
   (( segid "   A" and resid 77   and name  HN  ))
   (( segid "   A" and resid 121  and name  HA1 ))
      3.284     1.348     1.348 peak  1752 weight  1.00000E+00 volume  2.12196E+07 ppm1      8.441 ppm2      5.560

 ASSI { 2606}
   (( segid "   A" and resid 77   and name  HN  ))
   (  segid "   A" and resid 122  and name  HG2#)
      3.176     1.261     1.261 peak  2606 weight  1.00000E+00 volume  2.59400E+07 ppm1      8.439 ppm2      0.355

 ASSI {  382}
   (( segid "   A" and resid 78   and name  HN  ))
   (( segid "   A" and resid 77   and name  HN  ))
      3.132     1.227     1.227 peak   382 weight  1.00000E+00 volume  2.81967E+07 ppm1      8.443 ppm2      9.086

 ASSI {  531}
   (( segid "   A" and resid 78   and name  HN  ))
   (( segid "   A" and resid 77   and name  HA  ))
      2.788     0.972     0.972 peak   531 weight  1.00000E+00 volume  5.66940E+07 ppm1      9.086 ppm2      4.932

 ASSI {  607}
   (( segid "   A" and resid 78   and name  HG1 ))
   (( segid "   A" and resid 78   and name  HG2 ))
      1.993     0.496     0.496 peak   607 weight  1.00000E+00 volume  4.79319E+06 ppm1      1.684 ppm2      1.214

 ASSI { 1669}
   (( segid "   A" and resid 78   and name  HG2 ))
   (( segid "   A" and resid 78   and name  HB2 ))
      2.622     0.859     0.859 peak  1669 weight  1.00000E+00 volume  1.72286E+06 ppm1      1.788 ppm2      1.248

 ASSI { 1674}
   (( segid "   A" and resid 78   and name  HB2 ))
   (( segid "   A" and resid 78   and name  HA  ))
      2.813     0.989     0.989 peak  1674 weight  1.00000E+00 volume  1.12998E+06 ppm1      1.779 ppm2      4.579

 ASSI { 1675}
   (( segid "   A" and resid 78   and name  HB1 ))
   (( segid "   A" and resid 78   and name  HA  ))
      2.502     0.783     0.783 peak  1675 weight  1.00000E+00 volume  2.28201E+06 ppm1      2.359 ppm2      4.582

 ASSI { 1676}
   (( segid "   A" and resid 78   and name  HN  ))
   (( segid "   A" and resid 78   and name  HB2 ))
      2.798     0.979     0.979 peak  1676 weight  1.00000E+00 volume  1.16703E+06 ppm1      1.779 ppm2      9.087

 ASSI { 1679}
   (( segid "   A" and resid 78   and name  HG2 ))
   (( segid "   A" and resid 78   and name  HD2 ))
      2.139     0.572     0.572 peak  1679 weight  1.00000E+00 volume  5.84116E+06 ppm1      1.709 ppm2      1.219

 ASSI { 1681}
   (( segid "   A" and resid 78   and name  HB1 ))
   (  segid "   A" and resid 78   and name  HD# )
      2.389     0.714     0.714 peak  1681 weight  1.00000E+00 volume  3.00783E+06 ppm1      1.708 ppm2      2.364

 ASSI { 1682}
   (( segid "   A" and resid 78   and name  HA  ))
   (( segid "   A" and resid 78   and name  HD1 ))
      2.663     0.886     0.886 peak  1682 weight  1.00000E+00 volume  1.57093E+06 ppm1      1.711 ppm2      4.595

 ASSI { 1684}
   (( segid "   A" and resid 78   and name  HN  ))
   (( segid "   A" and resid 78   and name  HD1 ))
      2.689     0.904     0.904 peak  1684 weight  1.00000E+00 volume  1.48200E+06 ppm1      1.712 ppm2      9.091

 ASSI { 1691}
   (( segid "   A" and resid 78   and name  HG1 ))
   (  segid "   A" and resid 78   and name  HE# )
      1.709     0.365     0.365 peak  1691 weight  1.00000E+00 volume  2.24360E+07 ppm1      2.910 ppm2      1.686

 ASSI { 1700}
   (( segid "   A" and resid 78   and name  HG2 ))
   (( segid "   A" and resid 78   and name  HB1 ))
      2.891     1.045     1.045 peak  1700 weight  1.00000E+00 volume  9.58598E+05 ppm1      1.217 ppm2      2.363

 ASSI { 1689}
   (( segid "   A" and resid 78   and name  HG2 ))
   (  segid "   A" and resid 78   and name  HE# )
      2.208     0.609     0.609 peak  1689 weight  1.00000E+00 volume  4.83067E+06 ppm1      2.907 ppm2      1.218

 ASSI { 1703}
   (( segid "   A" and resid 78   and name  HG1 ))
   (( segid "   A" and resid 78   and name  HA  ))
      3.079     1.185     1.185 peak  1703 weight  1.00000E+00 volume  6.56979E+05 ppm1      1.671 ppm2      4.593

 ASSI { 1704}
   (( segid "   A" and resid 78   and name  HG2 ))
   (( segid "   A" and resid 78   and name  HA  ))
      2.729     0.931     0.931 peak  1704 weight  1.00000E+00 volume  1.35381E+06 ppm1      1.210 ppm2      4.599

 ASSI { 1672}
   (( segid "   A" and resid 78   and name  HB1 ))
   (( segid "   A" and resid 78   and name  HB2 ))
      2.048     0.524     0.524 peak  1672 weight  1.00000E+00 volume  3.04866E+06 ppm1      1.786 ppm2      2.363

 ASSI { 3771}
   (( segid "   A" and resid 78   and name  HA  ))
   (  segid "   A" and resid 78   and name  HE# )
      2.520     0.794     0.794 peak  3771 weight  1.00000E+00 volume  2.18400E+06 ppm1      2.904 ppm2      4.560

 ASSI { 1765}
   (( segid "   A" and resid 78   and name  HN  ))
   (( segid "   A" and resid 78   and name  HG1 ))
      2.971     1.103     1.103 peak  1765 weight  1.00000E+00 volume  3.87279E+07 ppm1      9.086 ppm2      1.685
 OR { 1765}
   (( segid "   A" and resid 78   and name  HN  ))
   (( segid "   A" and resid 78   and name  HD1 ))

 ASSI {  532}
   (( segid "   A" and resid 78   and name  HA  ))
   (( segid "   A" and resid 79   and name  HN  ))
      2.601     0.846     0.846 peak   532 weight  1.00000E+00 volume  8.59437E+07 ppm1     11.650 ppm2      4.578

 ASSI {  533}
   (( segid "   A" and resid 78   and name  HB2 ))
   (( segid "   A" and resid 79   and name  HN  ))
      2.809     0.987     0.987 peak   533 weight  1.00000E+00 volume  5.41914E+07 ppm1     11.650 ppm2      1.763

 ASSI { 2607}
   (( segid "   A" and resid 78   and name  HN  ))
   (( segid "   A" and resid 79   and name  HN  ))
      3.446     1.484     1.484 peak  2607 weight  1.00000E+00 volume  1.59100E+07 ppm1     11.647 ppm2      9.097

 ASSI { 2608}
   (( segid "   A" and resid 78   and name  HB1 ))
   (( segid "   A" and resid 79   and name  HN  ))
      2.704     0.914     0.914 peak  2608 weight  1.00000E+00 volume  6.81600E+07 ppm1     11.651 ppm2      2.349

 ASSI { 1668}
   (( segid "   A" and resid 78   and name  HB1 ))
   (  segid "   A" and resid 80   and name  HG2#)
      2.509     0.787     0.787 peak  1668 weight  1.00000E+00 volume  2.24422E+06 ppm1      2.362 ppm2      1.243

 ASSI { 1774}
   (( segid "   A" and resid 78   and name  HA  ))
   (( segid "   A" and resid 80   and name  HN  ))
      3.010     1.132     1.132 peak  1774 weight  1.00000E+00 volume  3.58535E+07 ppm1      8.847 ppm2      4.581

 ASSI { 2611}
   (( segid "   A" and resid 78   and name  HN  ))
   (( segid "   A" and resid 80   and name  HN  ))
      3.257     1.326     1.326 peak  2611 weight  1.00000E+00 volume  2.23200E+07 ppm1      8.851 ppm2      9.078

 ASSI { 2615}
   (( segid "   A" and resid 78   and name  HB1 ))
   (( segid "   A" and resid 80   and name  HN  ))
      2.772     0.960     0.960 peak  2615 weight  1.00000E+00 volume  5.87700E+07 ppm1      8.851 ppm2      2.347

 ASSI { 2617}
   (( segid "   A" and resid 78   and name  HB2 ))
   (( segid "   A" and resid 80   and name  HN  ))
      2.702     0.912     0.912 peak  2617 weight  1.00000E+00 volume  6.85100E+07 ppm1      8.848 ppm2      1.761

 ASSI { 2773}
   (( segid "   A" and resid 78   and name  HA  ))
   (( segid "   A" and resid 115  and name  HN  ))
      3.166     1.253     1.253 peak  2773 weight  1.00000E+00 volume  2.64500E+07 ppm1      9.721 ppm2      4.573

 ASSI { 1687}
   (  segid "   A" and resid 78   and name  HE# )
   (  segid "   A" and resid 122  and name  HG2#)
      2.587     0.837     0.837 peak  1687 weight  1.00000E+00 volume  1.22583E+06 ppm1      2.907 ppm2      0.392

 ASSI { 1698}
   (( segid "   A" and resid 78   and name  HG1 ))
   (  segid "   A" and resid 122  and name  HD1#)
      2.022     0.511     0.511 peak  1698 weight  1.00000E+00 volume  1.97624E+06 ppm1      1.677 ppm2      0.657

 ASSI { 4007}
   (( segid "   A" and resid 78   and name  HG2 ))
   (  segid "   A" and resid 122  and name  HD1#)
      2.255     0.635     0.635 peak  4007 weight  1.00000E+00 volume  4.26300E+06 ppm1      0.652 ppm2      1.216

 ASSI { 4021}
   (( segid "   A" and resid 78   and name  HA  ))
   (  segid "   A" and resid 122  and name  HG2#)
      2.368     0.701     0.701 peak  4021 weight  1.00000E+00 volume  3.17600E+06 ppm1      0.376 ppm2      4.604

 ASSI { 1706}
   (( segid "   A" and resid 79   and name  HA  ))
   (  segid "   A" and resid 79   and name  HB# )
      1.985     0.493     0.493 peak  1706 weight  1.00000E+00 volume  6.47548E+06 ppm1      3.736 ppm2      1.458

 ASSI {  764}
   (( segid "   A" and resid 79   and name  HA  ))
   (( segid "   A" and resid 79   and name  HN  ))
      2.953     1.090     1.090 peak   764 weight  1.00000E+00 volume  4.01963E+07 ppm1     11.648 ppm2      3.714

 ASSI {  765}
   (  segid "   A" and resid 79   and name  HB# )
   (( segid "   A" and resid 79   and name  HN  ))
      2.416     0.730     0.730 peak   765 weight  1.00000E+00 volume  1.33790E+08 ppm1     11.651 ppm2      1.440

 ASSI {  534}
   (  segid "   A" and resid 79   and name  HB# )
   (( segid "   A" and resid 80   and name  HN  ))
      2.252     0.634     0.634 peak   534 weight  1.00000E+00 volume  1.81488E+08 ppm1      8.850 ppm2      1.437

 ASSI {  535}
   (( segid "   A" and resid 79   and name  HA  ))
   (( segid "   A" and resid 80   and name  HN  ))
      3.049     1.162     1.162 peak   535 weight  1.00000E+00 volume  3.31518E+07 ppm1      8.851 ppm2      3.727

 ASSI { 2366}
   (( segid "   A" and resid 79   and name  HA  ))
   (  segid "   A" and resid 104  and name  HD1#)
      2.046     0.523     0.523 peak  2366 weight  1.00000E+00 volume  4.13241E+06 ppm1      0.623 ppm2      3.727

 ASSI { 2373}
   (  segid "   A" and resid 79   and name  HB# )
   (  segid "   A" and resid 104  and name  HD2#)
      1.755     0.385     0.385 peak  2373 weight  1.00000E+00 volume  1.91394E+07 ppm1      0.723 ppm2      1.444

 ASSI { 3983}
   (( segid "   A" and resid 79   and name  HA  ))
   (  segid "   A" and resid 114  and name  HB# )
      3.030     1.147     1.147 peak  3983 weight  1.00000E+00 volume  7.24000E+05 ppm1      1.491 ppm2      3.728

 ASSI {  385}
   (( segid "   A" and resid 80   and name  HN  ))
   (( segid "   A" and resid 79   and name  HN  ))
      3.287     1.351     1.351 peak   385 weight  1.00000E+00 volume  2.11051E+07 ppm1     11.655 ppm2      8.832

 ASSI {  767}
   (( segid "   A" and resid 80   and name  HA  ))
   (( segid "   A" and resid 80   and name  HN  ))
      2.379     0.707     0.707 peak   767 weight  1.00000E+00 volume  1.25525E+08 ppm1      8.850 ppm2      3.886

 ASSI { 1719}
   (( segid "   A" and resid 80   and name  HA  ))
   (( segid "   A" and resid 80   and name  HB  ))
      1.954     0.477     0.477 peak  1719 weight  1.00000E+00 volume  5.39024E+06 ppm1      3.902 ppm2      4.084

 ASSI {  766}
   (( segid "   A" and resid 80   and name  HB  ))
   (( segid "   A" and resid 80   and name  HN  ))
      2.272     0.645     0.645 peak   766 weight  1.00000E+00 volume  1.34199E+08 ppm1      8.850 ppm2      4.065

 ASSI { 1733}
   (  segid "   A" and resid 80   and name  HG2#)
   (( segid "   A" and resid 80   and name  HB  ))
      1.796     0.403     0.403 peak  1733 weight  1.00000E+00 volume  9.10724E+06 ppm1      4.092 ppm2      1.261

 ASSI {  934}
   (  segid "   A" and resid 80   and name  HG2#)
   (( segid "   A" and resid 80   and name  HN  ))
      2.039     0.520     0.520 peak   934 weight  1.00000E+00 volume  1.59067E+08 ppm1      8.850 ppm2      1.246

 ASSI { 2612}
   (( segid "   A" and resid 80   and name  HN  ))
   (( segid "   A" and resid 82   and name  HN  ))
      3.597     1.617     1.617 peak  2612 weight  1.00000E+00 volume  1.23000E+07 ppm1      8.848 ppm2      8.333

 ASSI { 3791}
   (( segid "   A" and resid 80   and name  HA  ))
   (( segid "   A" and resid 83   and name  HB1 ))
      2.401     0.721     0.721 peak  3791 weight  1.00000E+00 volume  2.92200E+06 ppm1      1.755 ppm2      3.920

 ASSI { 2614}
   (( segid "   A" and resid 80   and name  HN  ))
   (( segid "   A" and resid 115  and name  HB2 ))
      3.444     1.483     1.483 peak  2614 weight  1.00000E+00 volume  1.59600E+07 ppm1      8.850 ppm2      2.866

 ASSI {  486}
   (( segid "   A" and resid 81   and name  HB1 ))
   (( segid "   A" and resid 78   and name  HN  ))
      2.808     0.986     0.986 peak   486 weight  1.00000E+00 volume  1.14198E+06 ppm1      2.867 ppm2      9.085

 ASSI { 1752}
   (( segid "   A" and resid 81   and name  HB2 ))
   (( segid "   A" and resid 78   and name  HN  ))
      2.839     1.007     1.007 peak  1752 weight  1.00000E+00 volume  1.07026E+06 ppm1      3.141 ppm2      9.077

 ASSI { 2619}
   (( segid "   A" and resid 81   and name  HN  ))
   (( segid "   A" and resid 78   and name  HN  ))
      2.827     0.999     0.999 peak  2619 weight  1.00000E+00 volume  5.22400E+07 ppm1      7.016 ppm2      9.078

 ASSI { 2625}
   (( segid "   A" and resid 81   and name  HN  ))
   (( segid "   A" and resid 78   and name  HB1 ))
      2.948     1.086     1.086 peak  2625 weight  1.00000E+00 volume  4.06200E+07 ppm1      7.015 ppm2      2.350

 ASSI { 2623}
   (( segid "   A" and resid 81   and name  HN  ))
   (( segid "   A" and resid 79   and name  HA  ))
      3.177     1.261     1.261 peak  2623 weight  1.00000E+00 volume  2.59300E+07 ppm1      7.015 ppm2      3.724

 ASSI {  536}
   (( segid "   A" and resid 81   and name  HN  ))
   (( segid "   A" and resid 80   and name  HA  ))
      2.711     0.919     0.919 peak   536 weight  1.00000E+00 volume  6.18736E+07 ppm1      7.016 ppm2      3.885

 ASSI {  224}
   (( segid "   A" and resid 81   and name  HN  ))
   (( segid "   A" and resid 80   and name  HN  ))
      2.457     0.755     0.755 peak   224 weight  1.00000E+00 volume  8.50836E+07 ppm1      8.850 ppm2      7.018

 ASSI {  933}
   (( segid "   A" and resid 81   and name  HN  ))
   (  segid "   A" and resid 80   and name  HG2#)
      2.326     0.676     0.676 peak   933 weight  1.00000E+00 volume  1.36310E+08 ppm1      7.016 ppm2      1.246

 ASSI {  483}
   (( segid "   A" and resid 81   and name  HB1 ))
   (( segid "   A" and resid 81   and name  HA  ))
      2.439     0.744     0.744 peak   483 weight  1.00000E+00 volume  2.65917E+06 ppm1      2.868 ppm2      4.502

 ASSI { 1751}
   (( segid "   A" and resid 81   and name  HB2 ))
   (( segid "   A" and resid 81   and name  HA  ))
      2.713     0.920     0.920 peak  1751 weight  1.00000E+00 volume  1.03054E+06 ppm1      4.501 ppm2      3.168

 ASSI { 1753}
   (( segid "   A" and resid 81   and name  HB2 ))
   (( segid "   A" and resid 81   and name  HN  ))
      2.741     0.939     0.939 peak  1753 weight  1.00000E+00 volume  1.31933E+06 ppm1      3.137 ppm2      7.034

 ASSI { 1756}
   (( segid "   A" and resid 81   and name  HB1 ))
   (( segid "   A" and resid 81   and name  HB2 ))
      2.126     0.565     0.565 peak  1756 weight  1.00000E+00 volume  6.05820E+06 ppm1      2.873 ppm2      3.130

 ASSI {  769}
   (( segid "   A" and resid 81   and name  HA  ))
   (( segid "   A" and resid 81   and name  HN  ))
      2.417     0.730     0.730 peak   769 weight  1.00000E+00 volume  1.33546E+08 ppm1      7.015 ppm2      4.481

 ASSI {  770}
   (( segid "   A" and resid 81   and name  HB1 ))
   (( segid "   A" and resid 81   and name  HN  ))
      2.384     0.710     0.710 peak   770 weight  1.00000E+00 volume  1.34315E+08 ppm1      7.015 ppm2      2.849

 ASSI {    4}
   (( segid "   A" and resid 81   and name  HN  ))
   (( segid "   A" and resid 82   and name  HN  ))
      2.235     0.625     0.625 peak     4 weight  1.00000E+00 volume  2.13451E+08 ppm1      7.016 ppm2      8.334

 ASSI {  538}
   (( segid "   A" and resid 81   and name  HA  ))
   (( segid "   A" and resid 82   and name  HN  ))
      3.110     1.209     1.209 peak   538 weight  1.00000E+00 volume  2.94638E+07 ppm1      8.338 ppm2      4.489

 ASSI { 2628}
   (( segid "   A" and resid 81   and name  HN  ))
   (  segid "   A" and resid 82   and name  HD2#)
      2.947     1.086     1.086 peak  2628 weight  1.00000E+00 volume  4.06600E+07 ppm1      7.015 ppm2      0.729
 OR { 2628}
   (( segid "   A" and resid 81   and name  HN  ))
   (  segid "   A" and resid 104  and name  HD2#)

 ASSI { 2629}
   (( segid "   A" and resid 81   and name  HN  ))
   (  segid "   A" and resid 82   and name  HD1#)
      2.971     1.104     1.104 peak  2629 weight  1.00000E+00 volume  3.87100E+07 ppm1      7.017 ppm2      0.598

 ASSI { 2632}
   (( segid "   A" and resid 81   and name  HB1 ))
   (( segid "   A" and resid 82   and name  HN  ))
      2.793     0.975     0.975 peak  2632 weight  1.00000E+00 volume  5.61600E+07 ppm1      8.339 ppm2      3.122

 ASSI { 2620}
   (( segid "   A" and resid 81   and name  HN  ))
   (( segid "   A" and resid 83   and name  HN  ))
      3.063     1.173     1.173 peak  2620 weight  1.00000E+00 volume  3.22500E+07 ppm1      7.016 ppm2      8.137

 ASSI { 3800}
   (( segid "   A" and resid 81   and name  HA  ))
   (( segid "   A" and resid 84   and name  HB1 ))
      2.509     0.787     0.787 peak  3800 weight  1.00000E+00 volume  2.24600E+06 ppm1      1.947 ppm2      4.470

 ASSI { 3801}
   (( segid "   A" and resid 81   and name  HA  ))
   (( segid "   A" and resid 84   and name  HB2 ))
      2.768     0.957     0.957 peak  3801 weight  1.00000E+00 volume  1.24600E+06 ppm1      2.010 ppm2      4.480

 ASSI { 2621}
   (( segid "   A" and resid 81   and name  HN  ))
   (( segid "   A" and resid 84   and name  HN  ))
      3.313     1.372     1.372 peak  2621 weight  1.00000E+00 volume  2.01400E+07 ppm1      7.015 ppm2      7.233

 ASSI { 3045}
   (  segid "   A" and resid 82   and name  HD2#)
   (  segid "   A" and resid 77   and name  HD# )
      2.113     0.558     0.558 peak  3045 weight  1.00000E+00 volume  6.28325E+06 ppm1      0.762 ppm2      6.839

 ASSI { 2630}
   (( segid "   A" and resid 82   and name  HN  ))
   (( segid "   A" and resid 77   and name  HA  ))
      3.481     1.514     1.514 peak  2630 weight  1.00000E+00 volume  1.49800E+07 ppm1      8.336 ppm2      4.936

 ASSI { 3785}
   (  segid "   A" and resid 82   and name  HD1#)
   (( segid "   A" and resid 79   and name  HA  ))
      2.236     0.625     0.625 peak  3785 weight  1.00000E+00 volume  4.48400E+06 ppm1      0.603 ppm2      3.735

 ASSI { 1769}
   (( segid "   A" and resid 82   and name  HB2 ))
   (( segid "   A" and resid 79   and name  HN  ))
      3.123     1.219     1.219 peak  1769 weight  1.00000E+00 volume  2.86949E+07 ppm1     11.652 ppm2      1.210
 OR { 1769}
   (( segid "   A" and resid 78   and name  HG2 ))
   (( segid "   A" and resid 79   and name  HN  ))

 ASSI { 1770}
   (  segid "   A" and resid 82   and name  HD1#)
   (( segid "   A" and resid 79   and name  HN  ))
      3.131     1.226     1.226 peak  1770 weight  1.00000E+00 volume  2.82642E+07 ppm1     11.646 ppm2      0.623
 OR { 1770}
   (  segid "   A" and resid 104  and name  HD1#)
   (( segid "   A" and resid 79   and name  HN  ))

 ASSI { 2616}
   (( segid "   A" and resid 82   and name  HB2 ))
   (( segid "   A" and resid 80   and name  HN  ))
      3.524     1.552     1.552 peak  2616 weight  1.00000E+00 volume  1.39200E+07 ppm1      8.850 ppm2      1.950

 ASSI {  599}
   (  segid "   A" and resid 82   and name  HD2#)
   (  segid "   A" and resid 82   and name  HD1#)
      1.763     0.388     0.388 peak   599 weight  1.00000E+00 volume  1.36214E+07 ppm1      0.799 ppm2      0.622

 ASSI { 1761}
   (( segid "   A" and resid 82   and name  HB2 ))
   (( segid "   A" and resid 82   and name  HB1 ))
      2.511     0.788     0.788 peak  1761 weight  1.00000E+00 volume  1.84536E+06 ppm1      1.970 ppm2      1.263

 ASSI { 1763}
   (  segid "   A" and resid 82   and name  HD1#)
   (( segid "   A" and resid 82   and name  HB2 ))
      2.269     0.643     0.643 peak  1763 weight  1.00000E+00 volume  2.77076E+06 ppm1      1.260 ppm2      0.628

 ASSI { 1765}
   (( segid "   A" and resid 82   and name  HB1 ))
   (( segid "   A" and resid 82   and name  HA  ))
      2.664     0.887     0.887 peak  1765 weight  1.00000E+00 volume  1.56772E+06 ppm1      1.970 ppm2      3.759

 ASSI { 1766}
   (( segid "   A" and resid 82   and name  HB2 ))
   (( segid "   A" and resid 82   and name  HA  ))
      2.825     0.997     0.997 peak  1766 weight  1.00000E+00 volume  1.10176E+06 ppm1      1.253 ppm2      3.754

 ASSI { 2634}
   (( segid "   A" and resid 82   and name  HB2 ))
   (( segid "   A" and resid 82   and name  HN  ))
      2.610     0.852     0.852 peak  2634 weight  1.00000E+00 volume  8.42200E+07 ppm1      8.338 ppm2      1.955

 ASSI { 1764}
   (  segid "   A" and resid 82   and name  HD1#)
   (( segid "   A" and resid 82   and name  HB1 ))
      2.419     0.732     0.732 peak  1764 weight  1.00000E+00 volume  2.79206E+06 ppm1      1.975 ppm2      0.632

 ASSI { 1784}
   (( segid "   A" and resid 82   and name  HN  ))
   (( segid "   A" and resid 82   and name  HG  ))
      2.762     0.953     0.953 peak  1784 weight  1.00000E+00 volume  1.26198E+06 ppm1      1.736 ppm2      8.333

 ASSI { 1775}
   (  segid "   A" and resid 82   and name  HD1#)
   (( segid "   A" and resid 82   and name  HG  ))
      2.313     0.669     0.669 peak  1775 weight  1.00000E+00 volume  3.65978E+06 ppm1      0.603 ppm2      1.746

 ASSI { 1788}
   (  segid "   A" and resid 82   and name  HD2#)
   (( segid "   A" and resid 82   and name  HG  ))
      2.552     0.814     0.814 peak  1788 weight  1.00000E+00 volume  2.02742E+06 ppm1      1.737 ppm2      0.747

 ASSI { 3787}
   (( segid "   A" and resid 82   and name  HA  ))
   (( segid "   A" and resid 82   and name  HG  ))
      2.888     1.042     1.042 peak  3787 weight  1.00000E+00 volume  9.65100E+05 ppm1      1.732 ppm2      3.745

 ASSI { 1191}
   (  segid "   A" and resid 82   and name  HD1#)
   (( segid "   A" and resid 82   and name  HN  ))
      2.558     0.818     0.818 peak  1191 weight  1.00000E+00 volume  9.51118E+07 ppm1      8.339 ppm2      0.597

 ASSI { 2631}
   (( segid "   A" and resid 82   and name  HA  ))
   (( segid "   A" and resid 82   and name  HN  ))
      2.491     0.776     0.776 peak  2631 weight  1.00000E+00 volume  1.11400E+08 ppm1      8.339 ppm2      3.736

 ASSI { 2636}
   (  segid "   A" and resid 82   and name  HD2#)
   (( segid "   A" and resid 82   and name  HN  ))
      2.587     0.837     0.837 peak  2636 weight  1.00000E+00 volume  8.88000E+07 ppm1      8.338 ppm2      0.733

 ASSI { 3786}
   (  segid "   A" and resid 82   and name  HD1#)
   (( segid "   A" and resid 83   and name  HN  ))
      2.939     1.080     1.080 peak  3786 weight  1.00000E+00 volume  8.68500E+05 ppm1      0.604 ppm2      8.131

 ASSI {    7}
   (( segid "   A" and resid 82   and name  HN  ))
   (( segid "   A" and resid 83   and name  HN  ))
      2.774     0.962     0.962 peak     7 weight  1.00000E+00 volume  5.84080E+07 ppm1      8.337 ppm2      8.138

 ASSI { 2639}
   (( segid "   A" and resid 82   and name  HB2 ))
   (( segid "   A" and resid 83   and name  HN  ))
      2.068     0.535     0.535 peak  2639 weight  1.00000E+00 volume  3.40400E+08 ppm1      8.158 ppm2      1.952

 ASSI { 2649}
   (( segid "   A" and resid 82   and name  HB2 ))
   (( segid "   A" and resid 86   and name  HN  ))
      3.366     1.416     1.416 peak  2649 weight  1.00000E+00 volume  1.83200E+07 ppm1      8.274 ppm2      1.179
 OR { 2649}
   (( segid "   A" and resid 86   and name  HN  ))
   (( segid "   A" and resid 98   and name  HG12))

 ASSI { 1984}
   (( segid "   A" and resid 82   and name  HA  ))
   (  segid "   A" and resid 88   and name  HG2#)
      2.633     0.867     0.867 peak  1984 weight  1.00000E+00 volume  1.68006E+06 ppm1      0.690 ppm2      3.726

 ASSI { 3887}
   (( segid "   A" and resid 82   and name  HB1 ))
   (  segid "   A" and resid 98   and name  HD1#)
      2.773     0.961     0.961 peak  3887 weight  1.00000E+00 volume  1.23100E+06 ppm1      0.554 ppm2      1.924

 ASSI { 3894}
   (( segid "   A" and resid 82   and name  HB1 ))
   (  segid "   A" and resid 98   and name  HG2#)
      2.268     0.643     0.643 peak  3894 weight  1.00000E+00 volume  4.10900E+06 ppm1      0.695 ppm2      1.979

 ASSI { 2375}
   (( segid "   A" and resid 82   and name  HB1 ))
   (  segid "   A" and resid 104  and name  HD2#)
      2.402     0.721     0.721 peak  2375 weight  1.00000E+00 volume  2.91623E+06 ppm1      0.723 ppm2      1.955

 ASSI { 3911}
   (( segid "   A" and resid 82   and name  HB2 ))
   (  segid "   A" and resid 104  and name  HD1#)
      2.576     0.830     0.830 peak  3911 weight  1.00000E+00 volume  1.91400E+06 ppm1      0.627 ppm2      1.983

 ASSI { 1791}
   (( segid "   A" and resid 83   and name  HA  ))
   (( segid "   A" and resid 83   and name  HG1 ))
      2.270     0.644     0.644 peak  1791 weight  1.00000E+00 volume  4.09434E+06 ppm1      3.741 ppm2      1.442

 ASSI { 1795}
   (( segid "   A" and resid 83   and name  HG1 ))
   (( segid "   A" and resid 83   and name  HB2 ))
      2.112     0.558     0.558 peak  1795 weight  1.00000E+00 volume  6.30063E+06 ppm1      1.825 ppm2      1.439

 ASSI { 1801}
   (( segid "   A" and resid 83   and name  HA  ))
   (( segid "   A" and resid 83   and name  HB2 ))
      2.271     0.645     0.645 peak  1801 weight  1.00000E+00 volume  4.08201E+06 ppm1      1.825 ppm2      3.733

 ASSI { 1806}
   (( segid "   A" and resid 83   and name  HB2 ))
   (( segid "   A" and resid 83   and name  HN  ))
      2.275     0.647     0.647 peak  1806 weight  1.00000E+00 volume  4.04274E+06 ppm1      1.825 ppm2      8.142

 ASSI {  937}
   (( segid "   A" and resid 83   and name  HB1 ))
   (( segid "   A" and resid 83   and name  HN  ))
      2.297     0.659     0.659 peak   937 weight  1.00000E+00 volume  6.37880E+07 ppm1      8.145 ppm2      1.752

 ASSI { 1814}
   (  segid "   A" and resid 83   and name  HD# )
   (  segid "   A" and resid 83   and name  HE# )
      1.976     0.488     0.488 peak  1814 weight  1.00000E+00 volume  9.39151E+06 ppm1      1.680 ppm2      2.929

 ASSI { 1810}
   (  segid "   A" and resid 83   and name  HG# )
   (  segid "   A" and resid 83   and name  HD# )
      1.747     0.382     0.382 peak  1810 weight  1.00000E+00 volume  1.96805E+07 ppm1      1.675 ppm2      1.435

 ASSI { 1821}
   (  segid "   A" and resid 83   and name  HG# )
   (  segid "   A" and resid 83   and name  HE# )
      2.387     0.712     0.712 peak  1821 weight  1.00000E+00 volume  3.02700E+06 ppm1      1.426 ppm2      2.942

 ASSI {  936}
   (  segid "   A" and resid 83   and name  HG# )
   (( segid "   A" and resid 83   and name  HN  ))
      3.182     1.266     1.266 peak   936 weight  1.00000E+00 volume  2.56570E+07 ppm1      8.150 ppm2      1.425

 ASSI {  938}
   (( segid "   A" and resid 83   and name  HA  ))
   (( segid "   A" and resid 83   and name  HN  ))
      2.933     1.075     1.075 peak   938 weight  1.00000E+00 volume  4.18260E+07 ppm1      8.148 ppm2      3.733

 ASSI {  939}
   (( segid "   A" and resid 83   and name  HA  ))
   (( segid "   A" and resid 85   and name  HN  ))
      2.971     1.104     1.104 peak   939 weight  1.00000E+00 volume  3.87017E+07 ppm1      8.107 ppm2      3.731

 ASSI { 2646}
   (( segid "   A" and resid 83   and name  HB1 ))
   (( segid "   A" and resid 86   and name  HN  ))
      3.480     1.513     1.513 peak  2646 weight  1.00000E+00 volume  1.50100E+07 ppm1      8.274 ppm2      1.772

 ASSI { 2648}
   (  segid "   A" and resid 83   and name  HG# )
   (( segid "   A" and resid 86   and name  HN  ))
      3.152     1.242     1.242 peak  2648 weight  1.00000E+00 volume  2.71800E+07 ppm1      8.281 ppm2      1.412

 ASSI { 3794}
   (( segid "   A" and resid 83   and name  HG1 ))
   (  segid "   A" and resid 98   and name  HG2#)
      2.156     0.581     0.581 peak  3794 weight  1.00000E+00 volume  5.57600E+06 ppm1      1.428 ppm2      0.715

 ASSI { 1792}
   (( segid "   A" and resid 83   and name  HA  ))
   (  segid "   A" and resid 98   and name  HG2#)
      2.125     0.564     0.564 peak  1792 weight  1.00000E+00 volume  4.82652E+06 ppm1      3.740 ppm2      0.695

 ASSI { 2641}
   (( segid "   A" and resid 83   and name  HN  ))
   (  segid "   A" and resid 98   and name  HD1#)
      3.357     1.408     1.408 peak  2641 weight  1.00000E+00 volume  1.86200E+07 ppm1      8.153 ppm2      0.511

 ASSI { 2374}
   (( segid "   A" and resid 83   and name  HD1 ))
   (  segid "   A" and resid 104  and name  HD2#)
      2.091     0.547     0.547 peak  2374 weight  1.00000E+00 volume  6.69742E+06 ppm1      0.723 ppm2      1.703

 ASSI { 2446}
   (  segid "   A" and resid 83   and name  HE# )
   (  segid "   A" and resid 104  and name  HD2#)
      2.472     0.764     0.764 peak  2446 weight  1.00000E+00 volume  2.45218E+06 ppm1      2.976 ppm2      0.711
 OR { 2446}
   (( segid "   A" and resid 96   and name  HG11))
   (  segid "   A" and resid 107  and name  HE# )

 ASSI { 3790}
   (( segid "   A" and resid 83   and name  HB2 ))
   (  segid "   A" and resid 104  and name  HD2#)
      2.367     0.700     0.700 peak  3790 weight  1.00000E+00 volume  3.18700E+06 ppm1      1.833 ppm2      0.730

 ASSI { 1809}
   (( segid "   A" and resid 84   and name  HN  ))
   (( segid "   A" and resid 83   and name  HB1 ))
      2.656     0.882     0.882 peak  1809 weight  1.00000E+00 volume  1.59564E+06 ppm1      1.747 ppm2      7.217

 ASSI { 3795}
   (( segid "   A" and resid 84   and name  HN  ))
   (  segid "   A" and resid 83   and name  HG# )
      2.780     0.966     0.966 peak  3795 weight  1.00000E+00 volume  1.21300E+06 ppm1      1.430 ppm2      7.270

 ASSI { 1422}
   (( segid "   A" and resid 84   and name  HB1 ))
   (( segid "   A" and resid 84   and name  HN  ))
      2.279     0.649     0.649 peak  1422 weight  1.00000E+00 volume  3.99230E+06 ppm1      1.944 ppm2      7.239

 ASSI { 1827}
   (( segid "   A" and resid 84   and name  HG1 ))
   (( segid "   A" and resid 84   and name  HA  ))
      2.297     0.659     0.659 peak  1827 weight  1.00000E+00 volume  3.81500E+06 ppm1      4.036 ppm2      1.706

 ASSI { 1830}
   (( segid "   A" and resid 84   and name  HD1 ))
   (( segid "   A" and resid 84   and name  HA  ))
      2.784     0.969     0.969 peak  1830 weight  1.00000E+00 volume  1.20115E+06 ppm1      4.035 ppm2      3.248

 ASSI { 1832}
   (( segid "   A" and resid 84   and name  HN  ))
   (( segid "   A" and resid 84   and name  HA  ))
      2.277     0.648     0.648 peak  1832 weight  1.00000E+00 volume  4.01531E+06 ppm1      4.033 ppm2      7.236

 ASSI { 1842}
   (( segid "   A" and resid 84   and name  HB2 ))
   (( segid "   A" and resid 84   and name  HG2 ))
      2.278     0.648     0.648 peak  1842 weight  1.00000E+00 volume  4.00982E+06 ppm1      2.014 ppm2      1.564

 ASSI { 1845}
   (( segid "   A" and resid 84   and name  HB2 ))
   (( segid "   A" and resid 84   and name  HA  ))
      2.436     0.742     0.742 peak  1845 weight  1.00000E+00 volume  2.67975E+06 ppm1      2.019 ppm2      4.027

 ASSI { 1846}
   (( segid "   A" and resid 84   and name  HB1 ))
   (( segid "   A" and resid 84   and name  HA  ))
      2.245     0.630     0.630 peak  1846 weight  1.00000E+00 volume  4.36831E+06 ppm1      1.948 ppm2      4.033

 ASSI { 1851}
   (( segid "   A" and resid 84   and name  HB2 ))
   (( segid "   A" and resid 84   and name  HN  ))
      2.386     0.712     0.712 peak  1851 weight  1.00000E+00 volume  3.03175E+06 ppm1      2.015 ppm2      7.243

 ASSI { 1856}
   (( segid "   A" and resid 84   and name  HD1 ))
   (( segid "   A" and resid 84   and name  HD2 ))
      1.621     0.329     0.329 peak  1856 weight  1.00000E+00 volume  3.08443E+07 ppm1      3.319 ppm2      3.222

 ASSI { 1860}
   (( segid "   A" and resid 84   and name  HD2 ))
   (( segid "   A" and resid 84   and name  HG1 ))
      2.152     0.579     0.579 peak  1860 weight  1.00000E+00 volume  5.63558E+06 ppm1      3.320 ppm2      1.729

 ASSI { 1861}
   (( segid "   A" and resid 84   and name  HD1 ))
   (( segid "   A" and resid 84   and name  HG1 ))
      2.143     0.574     0.574 peak  1861 weight  1.00000E+00 volume  5.77656E+06 ppm1      3.227 ppm2      1.737

 ASSI { 1862}
   (( segid "   A" and resid 84   and name  HB1 ))
   (( segid "   A" and resid 84   and name  HD1 ))
      2.151     0.578     0.578 peak  1862 weight  1.00000E+00 volume  5.65616E+06 ppm1      3.220 ppm2      1.946

 ASSI { 1863}
   (( segid "   A" and resid 84   and name  HB1 ))
   (( segid "   A" and resid 84   and name  HD2 ))
      2.383     0.710     0.710 peak  1863 weight  1.00000E+00 volume  3.05994E+06 ppm1      3.318 ppm2      1.948

 ASSI { 1868}
   (( segid "   A" and resid 84   and name  HG2 ))
   (( segid "   A" and resid 84   and name  HG1 ))
      1.792     0.401     0.401 peak  1868 weight  1.00000E+00 volume  1.45390E+07 ppm1      1.728 ppm2      1.566

 ASSI { 1871}
   (( segid "   A" and resid 84   and name  HB1 ))
   (( segid "   A" and resid 84   and name  HG1 ))
      2.133     0.569     0.569 peak  1871 weight  1.00000E+00 volume  5.94919E+06 ppm1      1.731 ppm2      1.951

 ASSI { 1872}
   (( segid "   A" and resid 84   and name  HB1 ))
   (( segid "   A" and resid 84   and name  HG2 ))
      2.108     0.556     0.556 peak  1872 weight  1.00000E+00 volume  6.37185E+06 ppm1      1.562 ppm2      1.968

 ASSI { 1859}
   (( segid "   A" and resid 84   and name  HD2 ))
   (( segid "   A" and resid 84   and name  HG2 ))
      2.111     0.557     0.557 peak  1859 weight  1.00000E+00 volume  5.04310E+06 ppm1      3.318 ppm2      1.554

 ASSI { 1828}
   (( segid "   A" and resid 84   and name  HG2 ))
   (( segid "   A" and resid 84   and name  HA  ))
      2.355     0.693     0.693 peak  1828 weight  1.00000E+00 volume  3.27908E+06 ppm1      4.036 ppm2      1.582

 ASSI { 1877}
   (( segid "   A" and resid 84   and name  HN  ))
   (( segid "   A" and resid 84   and name  HG1 ))
      2.749     0.945     0.945 peak  1877 weight  1.00000E+00 volume  1.29690E+06 ppm1      1.724 ppm2      7.227

 ASSI { 3798}
   (( segid "   A" and resid 84   and name  HA  ))
   (( segid "   A" and resid 85   and name  HN  ))
      2.619     0.857     0.857 peak  3798 weight  1.00000E+00 volume  1.73600E+06 ppm1      4.030 ppm2      8.127

 ASSI {  274}
   (( segid "   A" and resid 84   and name  HN  ))
   (( segid "   A" and resid 85   and name  HN  ))
      2.737     0.936     0.936 peak   274 weight  1.00000E+00 volume  6.33693E+07 ppm1      8.107 ppm2      7.234

 ASSI {  443}
   (( segid "   A" and resid 84   and name  HB1 ))
   (( segid "   A" and resid 85   and name  HN  ))
      2.343     0.686     0.686 peak   443 weight  1.00000E+00 volume  1.60910E+08 ppm1      8.105 ppm2      1.918

 ASSI { 1002}
   (( segid "   A" and resid 84   and name  HB2 ))
   (( segid "   A" and resid 85   and name  HN  ))
      2.343     0.686     0.686 peak  1002 weight  1.00000E+00 volume  1.60910E+08 ppm1      8.108 ppm2      2.032

 ASSI { 1882}
   (( segid "   A" and resid 85   and name  HA  ))
   (( segid "   A" and resid 85   and name  HG1 ))
      2.252     0.634     0.634 peak  1882 weight  1.00000E+00 volume  4.28907E+06 ppm1      4.103 ppm2      2.466

 ASSI { 1883}
   (( segid "   A" and resid 85   and name  HB2 ))
   (( segid "   A" and resid 85   and name  HA  ))
      2.287     0.654     0.654 peak  1883 weight  1.00000E+00 volume  3.91738E+06 ppm1      4.102 ppm2      2.239

 ASSI { 1892}
   (( segid "   A" and resid 85   and name  HB1 ))
   (( segid "   A" and resid 85   and name  HB2 ))
      2.003     0.501     0.501 peak  1892 weight  1.00000E+00 volume  8.67959E+06 ppm1      2.257 ppm2      1.948

 ASSI { 1899}
   (( segid "   A" and resid 85   and name  HB1 ))
   (( segid "   A" and resid 85   and name  HA  ))
      2.741     0.939     0.939 peak  1899 weight  1.00000E+00 volume  1.32148E+06 ppm1      1.940 ppm2      4.095

 ASSI { 2638}
   (( segid "   A" and resid 85   and name  HB2 ))
   (( segid "   A" and resid 85   and name  HN  ))
      2.729     0.931     0.931 peak  2638 weight  1.00000E+00 volume  6.18900E+07 ppm1      8.107 ppm2      2.251

 ASSI { 1852}
   (( segid "   A" and resid 85   and name  HB1 ))
   (( segid "   A" and resid 85   and name  HN  ))
      2.350     0.690     0.690 peak  1852 weight  1.00000E+00 volume  3.32146E+06 ppm1      1.936 ppm2      8.082

 ASSI { 1904}
   (( segid "   A" and resid 85   and name  HG2 ))
   (( segid "   A" and resid 85   and name  HG1 ))
      1.977     0.489     0.489 peak  1904 weight  1.00000E+00 volume  8.98645E+06 ppm1      2.478 ppm2      2.631

 ASSI { 1896}
   (( segid "   A" and resid 85   and name  HB2 ))
   (( segid "   A" and resid 85   and name  HG1 ))
      2.295     0.658     0.658 peak  1896 weight  1.00000E+00 volume  2.30473E+06 ppm1      2.262 ppm2      2.455

 ASSI { 1894}
   (( segid "   A" and resid 85   and name  HB2 ))
   (( segid "   A" and resid 85   and name  HG2 ))
      2.451     0.751     0.751 peak  1894 weight  1.00000E+00 volume  1.68697E+06 ppm1      2.259 ppm2      2.622

 ASSI { 1895}
   (( segid "   A" and resid 85   and name  HB1 ))
   (( segid "   A" and resid 85   and name  HG2 ))
      2.460     0.756     0.756 peak  1895 weight  1.00000E+00 volume  1.56744E+06 ppm1      1.947 ppm2      2.640

 ASSI { 1897}
   (( segid "   A" and resid 85   and name  HB1 ))
   (( segid "   A" and resid 85   and name  HG1 ))
      2.289     0.655     0.655 peak  1897 weight  1.00000E+00 volume  1.14550E+06 ppm1      1.935 ppm2      2.459

 ASSI { 1881}
   (( segid "   A" and resid 85   and name  HA  ))
   (( segid "   A" and resid 85   and name  HG2 ))
      2.357     0.695     0.695 peak  1881 weight  1.00000E+00 volume  3.26291E+06 ppm1      4.104 ppm2      2.652

 ASSI {  945}
   (( segid "   A" and resid 85   and name  HN  ))
   (( segid "   A" and resid 85   and name  HG2 ))
      2.603     0.847     0.847 peak   945 weight  1.00000E+00 volume  8.56987E+07 ppm1      8.107 ppm2      2.612

 ASSI {  444}
   (( segid "   A" and resid 85   and name  HN  ))
   (( segid "   A" and resid 85   and name  HA  ))
      2.618     0.857     0.857 peak   444 weight  1.00000E+00 volume  8.26625E+07 ppm1      8.107 ppm2      4.076

 ASSI {  944}
   (( segid "   A" and resid 85   and name  HN  ))
   (( segid "   A" and resid 85   and name  HG1 ))
      2.752     0.946     0.946 peak   944 weight  1.00000E+00 volume  6.02785E+07 ppm1      8.108 ppm2      2.462

 ASSI {  238}
   (( segid "   A" and resid 85   and name  HN  ))
   (( segid "   A" and resid 86   and name  HN  ))
      2.428     0.737     0.737 peak   238 weight  1.00000E+00 volume  1.30170E+08 ppm1      8.274 ppm2      8.103

 ASSI {  943}
   (( segid "   A" and resid 85   and name  HG2 ))
   (( segid "   A" and resid 86   and name  HN  ))
      3.060     1.171     1.171 peak   943 weight  1.00000E+00 volume  3.24194E+07 ppm1      8.274 ppm2      2.616

 ASSI { 2643}
   (( segid "   A" and resid 85   and name  HA  ))
   (( segid "   A" and resid 86   and name  HN  ))
      2.704     0.914     0.914 peak  2643 weight  1.00000E+00 volume  6.51400E+07 ppm1      8.273 ppm2      4.073

 ASSI { 2644}
   (( segid "   A" and resid 85   and name  HB2 ))
   (( segid "   A" and resid 86   and name  HN  ))
      2.719     0.924     0.924 peak  2644 weight  1.00000E+00 volume  6.59300E+07 ppm1      8.273 ppm2      2.244

 ASSI { 2645}
   (( segid "   A" and resid 85   and name  HB1 ))
   (( segid "   A" and resid 86   and name  HN  ))
      2.534     0.802     0.802 peak  2645 weight  1.00000E+00 volume  1.00700E+08 ppm1      8.274 ppm2      1.937

 ASSI { 2652}
   (( segid "   A" and resid 85   and name  HB2 ))
   (( segid "   A" and resid 87   and name  HN  ))
      2.476     0.767     0.767 peak  2652 weight  1.00000E+00 volume  1.15500E+08 ppm1      7.355 ppm2      2.244

 ASSI { 2653}
   (( segid "   A" and resid 85   and name  HB1 ))
   (( segid "   A" and resid 87   and name  HN  ))
      2.547     0.811     0.811 peak  2653 weight  1.00000E+00 volume  9.76500E+07 ppm1      7.355 ppm2      1.939

 ASSI { 1916}
   (( segid "   A" and resid 86   and name  HA1 ))
   (( segid "   A" and resid 86   and name  HA2 ))
      2.065     0.533     0.533 peak  1916 weight  1.00000E+00 volume  7.21682E+06 ppm1      4.286 ppm2      3.674

 ASSI {  771}
   (( segid "   A" and resid 86   and name  HN  ))
   (( segid "   A" and resid 86   and name  HA1 ))
      2.301     0.662     0.662 peak   771 weight  1.00000E+00 volume  1.79432E+08 ppm1      8.275 ppm2      4.266

 ASSI {  772}
   (( segid "   A" and resid 86   and name  HN  ))
   (( segid "   A" and resid 86   and name  HA2 ))
      2.216     0.614     0.614 peak   772 weight  1.00000E+00 volume  2.24746E+08 ppm1      8.274 ppm2      3.663

 ASSI {  241}
   (( segid "   A" and resid 86   and name  HN  ))
   (( segid "   A" and resid 87   and name  HN  ))
      2.594     0.841     0.841 peak   241 weight  1.00000E+00 volume  6.72069E+07 ppm1      8.273 ppm2      7.355

 ASSI {  613}
   (( segid "   A" and resid 86   and name  HA1 ))
   (( segid "   A" and resid 87   and name  HN  ))
      2.498     0.780     0.780 peak   613 weight  1.00000E+00 volume  1.09625E+08 ppm1      7.355 ppm2      4.265

 ASSI {  614}
   (( segid "   A" and resid 86   and name  HA2 ))
   (( segid "   A" and resid 87   and name  HN  ))
      2.607     0.850     0.850 peak   614 weight  1.00000E+00 volume  8.47722E+07 ppm1      7.355 ppm2      3.665

 ASSI { 2642}
   (( segid "   A" and resid 86   and name  HN  ))
   (( segid "   A" and resid 87   and name  HA  ))
      3.508     1.538     1.538 peak  2642 weight  1.00000E+00 volume  1.42900E+07 ppm1      8.272 ppm2      4.977

 ASSI { 2208}
   (( segid "   A" and resid 86   and name  HA1 ))
   (( segid "   A" and resid 98   and name  HB  ))
      2.838     1.007     1.007 peak  2208 weight  1.00000E+00 volume  1.07208E+06 ppm1      1.625 ppm2      4.287

 ASSI { 3886}
   (( segid "   A" and resid 86   and name  HA2 ))
   (( segid "   A" and resid 98   and name  HB  ))
      2.492     0.776     0.776 peak  3886 weight  1.00000E+00 volume  2.34000E+06 ppm1      1.627 ppm2      3.682

 ASSI { 1917}
   (( segid "   A" and resid 86   and name  HA1 ))
   (( segid "   A" and resid 98   and name  HN  ))
      3.180     1.264     1.264 peak  1917 weight  1.00000E+00 volume  2.57731E+07 ppm1      8.086 ppm2      4.269

 ASSI { 2647}
   (( segid "   A" and resid 86   and name  HN  ))
   (( segid "   A" and resid 98   and name  HB  ))
      2.756     0.950     0.950 peak  2647 weight  1.00000E+00 volume  6.07500E+07 ppm1      8.274 ppm2      1.607

 ASSI { 2708}
   (( segid "   A" and resid 86   and name  HA2 ))
   (( segid "   A" and resid 98   and name  HN  ))
      3.039     1.154     1.154 peak  2708 weight  1.00000E+00 volume  3.38400E+07 ppm1      8.084 ppm2      3.677

 ASSI { 1920}
   (( segid "   A" and resid 87   and name  HA  ))
   (( segid "   A" and resid 87   and name  HB  ))
      2.144     0.575     0.575 peak  1920 weight  1.00000E+00 volume  5.76392E+06 ppm1      4.976 ppm2      1.854

 ASSI { 1923}
   (( segid "   A" and resid 87   and name  HB  ))
   (( segid "   A" and resid 87   and name  HG12))
      2.321     0.673     0.673 peak  1923 weight  1.00000E+00 volume  3.53233E+06 ppm1      1.839 ppm2      1.406

 ASSI { 1930}
   (( segid "   A" and resid 87   and name  HG11))
   (  segid "   A" and resid 87   and name  HD1#)
      1.708     0.365     0.365 peak  1930 weight  1.00000E+00 volume  2.25663E+07 ppm1      0.837 ppm2      1.022

 ASSI { 1932}
   (( segid "   A" and resid 87   and name  HG12))
   (  segid "   A" and resid 87   and name  HD1#)
      1.843     0.425     0.425 peak  1932 weight  1.00000E+00 volume  1.42844E+07 ppm1      0.836 ppm2      1.388

 ASSI { 1933}
   (( segid "   A" and resid 87   and name  HB  ))
   (  segid "   A" and resid 87   and name  HD1#)
      1.966     0.483     0.483 peak  1933 weight  1.00000E+00 volume  9.70410E+06 ppm1      0.837 ppm2      1.836

 ASSI { 1942}
   (( segid "   A" and resid 87   and name  HG12))
   (( segid "   A" and resid 87   and name  HG11))
      1.879     0.441     0.441 peak  1942 weight  1.00000E+00 volume  1.27059E+07 ppm1      1.401 ppm2      1.035

 ASSI { 1924}
   (( segid "   A" and resid 87   and name  HB  ))
   (( segid "   A" and resid 87   and name  HG11))
      2.376     0.706     0.706 peak  1924 weight  1.00000E+00 volume  3.11382E+06 ppm1      1.842 ppm2      1.027

 ASSI { 1950}
   (( segid "   A" and resid 87   and name  HA  ))
   (( segid "   A" and resid 87   and name  HG12))
      2.464     0.759     0.759 peak  1950 weight  1.00000E+00 volume  2.50068E+06 ppm1      1.399 ppm2      4.960

 ASSI { 1951}
   (( segid "   A" and resid 87   and name  HA  ))
   (( segid "   A" and resid 87   and name  HG11))
      2.805     0.983     0.983 peak  1951 weight  1.00000E+00 volume  1.15048E+06 ppm1      1.028 ppm2      4.979

 ASSI { 1958}
   (( segid "   A" and resid 87   and name  HG11))
   (  segid "   A" and resid 87   and name  HG2#)
      1.878     0.441     0.441 peak  1958 weight  1.00000E+00 volume  1.27674E+07 ppm1      0.777 ppm2      1.024

 ASSI { 1925}
   (( segid "   A" and resid 87   and name  HB  ))
   (  segid "   A" and resid 87   and name  HG2#)
      1.922     0.462     0.462 peak  1925 weight  1.00000E+00 volume  1.10946E+07 ppm1      1.842 ppm2      0.803

 ASSI { 1966}
   (( segid "   A" and resid 87   and name  HA  ))
   (  segid "   A" and resid 87   and name  HG2#)
      2.350     0.690     0.690 peak  1966 weight  1.00000E+00 volume  3.32377E+06 ppm1      0.780 ppm2      4.976

 ASSI {  773}
   (( segid "   A" and resid 87   and name  HA  ))
   (( segid "   A" and resid 87   and name  HN  ))
      2.421     0.733     0.733 peak   773 weight  1.00000E+00 volume  1.32132E+08 ppm1      7.355 ppm2      4.971

 ASSI {  774}
   (( segid "   A" and resid 87   and name  HB  ))
   (( segid "   A" and resid 87   and name  HN  ))
      2.406     0.723     0.723 peak   774 weight  1.00000E+00 volume  1.37414E+08 ppm1      7.355 ppm2      1.837

 ASSI {  948}
   (  segid "   A" and resid 87   and name  HG2#)
   (( segid "   A" and resid 87   and name  HN  ))
      2.199     0.604     0.604 peak   948 weight  1.00000E+00 volume  2.35881E+08 ppm1      7.355 ppm2      0.766

 ASSI { 1988}
   (( segid "   A" and resid 87   and name  HA  ))
   (  segid "   A" and resid 88   and name  HG2#)
      2.653     0.880     0.880 peak  1988 weight  1.00000E+00 volume  1.60619E+06 ppm1      0.690 ppm2      4.967

 ASSI { 2536}
   (( segid "   A" and resid 87   and name  HN  ))
   (  segid "   A" and resid 88   and name  HG2#)
      2.733     0.934     0.934 peak  2536 weight  1.00000E+00 volume  1.34263E+06 ppm1      0.736 ppm2      7.343

 ASSI { 2661}
   (( segid "   A" and resid 87   and name  HG12))
   (( segid "   A" and resid 88   and name  HN  ))
      2.497     0.779     0.779 peak  2661 weight  1.00000E+00 volume  1.06500E+08 ppm1      8.038 ppm2      1.383

 ASSI { 3823}
   (  segid "   A" and resid 87   and name  HG2#)
   (( segid "   A" and resid 88   and name  HA  ))
      2.481     0.770     0.770 peak  3823 weight  1.00000E+00 volume  2.39800E+06 ppm1      0.781 ppm2      4.656

 ASSI { 2000}
   (( segid "   A" and resid 87   and name  HA  ))
   (  segid "   A" and resid 88   and name  HG1#)
      2.464     0.759     0.759 peak  2000 weight  1.00000E+00 volume  2.50286E+06 ppm1      0.799 ppm2      4.990

 ASSI {  248}
   (( segid "   A" and resid 87   and name  HN  ))
   (( segid "   A" and resid 88   and name  HN  ))
      3.111     1.210     1.210 peak   248 weight  1.00000E+00 volume  2.93656E+07 ppm1      8.038 ppm2      7.343

 ASSI {  541}
   (( segid "   A" and resid 87   and name  HA  ))
   (( segid "   A" and resid 88   and name  HN  ))
      2.148     0.577     0.577 peak   541 weight  1.00000E+00 volume  2.71429E+08 ppm1      8.038 ppm2      4.971

 ASSI {  777}
   (( segid "   A" and resid 87   and name  HN  ))
   (( segid "   A" and resid 88   and name  HA  ))
      3.692     1.704     1.704 peak   777 weight  1.00000E+00 volume  1.05216E+07 ppm1      7.352 ppm2      4.624

 ASSI {  949}
   (  segid "   A" and resid 87   and name  HG2#)
   (( segid "   A" and resid 88   and name  HN  ))
      2.182     0.595     0.595 peak   949 weight  1.00000E+00 volume  2.47033E+08 ppm1      8.037 ppm2      0.782

 ASSI { 1837}
   (( segid "   A" and resid 87   and name  HG11))
   (( segid "   A" and resid 88   and name  HN  ))
      2.596     0.843     0.843 peak  1837 weight  1.00000E+00 volume  7.71026E+07 ppm1      8.040 ppm2      1.016

 ASSI { 2140}
   (  segid "   A" and resid 87   and name  HD1#)
   (( segid "   A" and resid 95   and name  HB  ))
      2.191     0.600     0.600 peak  2140 weight  1.00000E+00 volume  2.91598E+06 ppm1      4.127 ppm2      0.816

 ASSI { 3813}
   (( segid "   A" and resid 87   and name  HG12))
   (( segid "   A" and resid 95   and name  HB  ))
      3.013     1.135     1.135 peak  3813 weight  1.00000E+00 volume  7.48800E+05 ppm1      1.403 ppm2      4.127

 ASSI { 3814}
   (( segid "   A" and resid 87   and name  HG11))
   (( segid "   A" and resid 95   and name  HB  ))
      2.472     0.764     0.764 peak  3814 weight  1.00000E+00 volume  2.45100E+06 ppm1      1.031 ppm2      4.118

 ASSI { 2700}
   (( segid "   A" and resid 87   and name  HG12))
   (( segid "   A" and resid 96   and name  HN  ))
      2.997     1.123     1.123 peak  2700 weight  1.00000E+00 volume  2.91000E+07 ppm1      9.106 ppm2      1.383

 ASSI { 2701}
   (( segid "   A" and resid 87   and name  HG11))
   (( segid "   A" and resid 96   and name  HN  ))
      2.945     1.084     1.084 peak  2701 weight  1.00000E+00 volume  2.78000E+07 ppm1      9.106 ppm2      1.016

 ASSI { 3810}
   (  segid "   A" and resid 87   and name  HD1#)
   (( segid "   A" and resid 97   and name  HA  ))
      2.381     0.708     0.708 peak  3810 weight  1.00000E+00 volume  3.07600E+06 ppm1      0.835 ppm2      4.852

 ASSI { 3815}
   (( segid "   A" and resid 87   and name  HG12))
   (( segid "   A" and resid 97   and name  HA  ))
      2.623     0.860     0.860 peak  3815 weight  1.00000E+00 volume  1.71900E+06 ppm1      1.397 ppm2      4.876

 ASSI { 4194}
   (  segid "   A" and resid 87   and name  HD1#)
   (  segid "   A" and resid 97   and name  HG# )
      2.452     0.751     0.751 peak  4194 weight  1.00000E+00 volume  2.57655E+06 ppm1      0.843 ppm2      2.055

 ASSI { 2651}
   (( segid "   A" and resid 87   and name  HN  ))
   (( segid "   A" and resid 97   and name  HA  ))
      3.164     1.252     1.252 peak  2651 weight  1.00000E+00 volume  2.65300E+07 ppm1      7.357 ppm2      4.837

 ASSI {  244}
   (( segid "   A" and resid 87   and name  HN  ))
   (( segid "   A" and resid 98   and name  HN  ))
      2.649     0.877     0.877 peak   244 weight  1.00000E+00 volume  7.71220E+07 ppm1      7.354 ppm2      8.066

 ASSI { 1828}
   (( segid "   A" and resid 87   and name  HN  ))
   (( segid "   A" and resid 98   and name  HB  ))
      2.997     1.123     1.123 peak  1828 weight  1.00000E+00 volume  3.67389E+07 ppm1      7.354 ppm2      1.583

 ASSI { 2655}
   (( segid "   A" and resid 87   and name  HN  ))
   (( segid "   A" and resid 98   and name  HG11))
      3.111     1.210     1.210 peak  2655 weight  1.00000E+00 volume  2.93800E+07 ppm1      7.356 ppm2      1.247

 ASSI { 2706}
   (( segid "   A" and resid 87   and name  HA  ))
   (( segid "   A" and resid 98   and name  HN  ))
      2.582     0.833     0.833 peak  2706 weight  1.00000E+00 volume  8.98900E+07 ppm1      8.086 ppm2      4.971

 ASSI { 1972}
   (( segid "   A" and resid 88   and name  HB  ))
   (( segid "   A" and resid 88   and name  HA  ))
      2.349     0.690     0.690 peak  1972 weight  1.00000E+00 volume  3.32954E+06 ppm1      2.103 ppm2      4.631

 ASSI { 1976}
   (( segid "   A" and resid 88   and name  HB  ))
   (  segid "   A" and resid 88   and name  HG2#)
      1.985     0.492     0.492 peak  1976 weight  1.00000E+00 volume  7.02201E+06 ppm1      2.107 ppm2      0.695

 ASSI { 1987}
   (( segid "   A" and resid 88   and name  HA  ))
   (  segid "   A" and resid 88   and name  HG2#)
      2.111     0.557     0.557 peak  1987 weight  1.00000E+00 volume  6.32340E+06 ppm1      0.692 ppm2      4.638

 ASSI { 1975}
   (( segid "   A" and resid 88   and name  HB  ))
   (  segid "   A" and resid 88   and name  HG1#)
      2.021     0.511     0.511 peak  1975 weight  1.00000E+00 volume  5.29817E+06 ppm1      2.107 ppm2      0.804

 ASSI { 1999}
   (( segid "   A" and resid 88   and name  HA  ))
   (  segid "   A" and resid 88   and name  HG1#)
      2.462     0.757     0.757 peak  1999 weight  1.00000E+00 volume  2.51637E+06 ppm1      0.803 ppm2      4.637

 ASSI { 2003}
   (( segid "   A" and resid 88   and name  HN  ))
   (  segid "   A" and resid 88   and name  HG1#)
      2.173     0.590     0.590 peak  2003 weight  1.00000E+00 volume  5.31857E+06 ppm1      0.801 ppm2      8.038

 ASSI {  775}
   (( segid "   A" and resid 88   and name  HN  ))
   (( segid "   A" and resid 88   and name  HA  ))
      2.640     0.871     0.871 peak   775 weight  1.00000E+00 volume  7.86076E+07 ppm1      8.038 ppm2      4.621

 ASSI {  776}
   (( segid "   A" and resid 88   and name  HN  ))
   (( segid "   A" and resid 88   and name  HB  ))
      2.902     1.053     1.053 peak   776 weight  1.00000E+00 volume  4.46239E+07 ppm1      8.039 ppm2      2.091

 ASSI {  952}
   (( segid "   A" and resid 88   and name  HN  ))
   (  segid "   A" and resid 88   and name  HG1#)
      2.209     0.610     0.610 peak   952 weight  1.00000E+00 volume  2.29196E+08 ppm1      8.036 ppm2      0.803
 OR {  952}
   (  segid "   A" and resid 87   and name  HG2#)
   (( segid "   A" and resid 88   and name  HN  ))

 ASSI { 2662}
   (( segid "   A" and resid 88   and name  HN  ))
   (  segid "   A" and resid 88   and name  HG2#)
      2.499     0.781     0.781 peak  2662 weight  1.00000E+00 volume  1.07000E+08 ppm1      8.039 ppm2      0.701

 ASSI {  542}
   (( segid "   A" and resid 88   and name  HB  ))
   (( segid "   A" and resid 89   and name  HN  ))
      2.341     0.685     0.685 peak   542 weight  1.00000E+00 volume  1.61964E+08 ppm1      9.143 ppm2      2.092

 ASSI {  253}
   (( segid "   A" and resid 88   and name  HN  ))
   (( segid "   A" and resid 89   and name  HN  ))
      3.180     1.264     1.264 peak   253 weight  1.00000E+00 volume  2.57416E+07 ppm1      9.147 ppm2      8.034

 ASSI {  543}
   (( segid "   A" and resid 88   and name  HA  ))
   (( segid "   A" and resid 89   and name  HN  ))
      2.115     0.559     0.559 peak   543 weight  1.00000E+00 volume  2.97975E+08 ppm1      9.144 ppm2      4.622

 ASSI { 2659}
   (( segid "   A" and resid 88   and name  HN  ))
   (( segid "   A" and resid 95   and name  HB  ))
      3.195     1.276     1.276 peak  2659 weight  1.00000E+00 volume  2.50400E+07 ppm1      8.035 ppm2      4.114

 ASSI { 1998}
   (  segid "   A" and resid 88   and name  HG1#)
   (( segid "   A" and resid 96   and name  HA  ))
      2.810     0.987     0.987 peak  1998 weight  1.00000E+00 volume  1.13762E+06 ppm1      0.805 ppm2      4.452

 ASSI {  249}
   (( segid "   A" and resid 88   and name  HN  ))
   (( segid "   A" and resid 96   and name  HN  ))
      2.628     0.863     0.863 peak   249 weight  1.00000E+00 volume  8.09105E+07 ppm1      8.037 ppm2      9.107

 ASSI { 2664}
   (( segid "   A" and resid 88   and name  HN  ))
   (  segid "   A" and resid 96   and name  HG2#)
      3.249     1.319     1.319 peak  2664 weight  1.00000E+00 volume  2.26600E+07 ppm1      8.037 ppm2      0.426

 ASSI { 2702}
   (  segid "   A" and resid 88   and name  HG1#)
   (( segid "   A" and resid 96   and name  HN  ))
      2.353     0.692     0.692 peak  2702 weight  1.00000E+00 volume  9.38100E+07 ppm1      9.105 ppm2      0.786

 ASSI { 1993}
   (  segid "   A" and resid 88   and name  HG1#)
   (  segid "   A" and resid 98   and name  HD1#)
      1.845     0.425     0.425 peak  1993 weight  1.00000E+00 volume  1.42048E+07 ppm1      0.801 ppm2      0.557

 ASSI { 1994}
   (  segid "   A" and resid 88   and name  HG1#)
   (( segid "   A" and resid 98   and name  HG12))
      2.034     0.517     0.517 peak  1994 weight  1.00000E+00 volume  7.89837E+06 ppm1      0.800 ppm2      1.189

 ASSI { 1980}
   (  segid "   A" and resid 88   and name  HG2#)
   (( segid "   A" and resid 98   and name  HG12))
      2.122     0.563     0.563 peak  1980 weight  1.00000E+00 volume  6.13382E+06 ppm1      0.691 ppm2      1.192

 ASSI { 1923}
   (  segid "   A" and resid 88   and name  HG1#)
   (( segid "   A" and resid 98   and name  HN  ))
      2.805     0.984     0.984 peak  1923 weight  1.00000E+00 volume  5.46677E+07 ppm1      8.081 ppm2      0.790
 OR { 1923}
   (  segid "   A" and resid 87   and name  HG2#)
   (( segid "   A" and resid 98   and name  HN  ))

 ASSI { 2663}
   (( segid "   A" and resid 88   and name  HN  ))
   (  segid "   A" and resid 98   and name  HD1#)
      2.864     1.026     1.026 peak  2663 weight  1.00000E+00 volume  4.82212E+07 ppm1      8.040 ppm2      0.538

 ASSI { 2914}
   (( segid "   A" and resid 89   and name  HN  ))
   (  segid "   A" and resid 77   and name  HD# )
      3.416     1.459     1.459 peak  2914 weight  1.00000E+00 volume  1.67621E+07 ppm1      9.140 ppm2      6.840
 OR { 2914}
   (( segid "   A" and resid 89   and name  HN  ))
   (  segid "   A" and resid 77   and name  HE# )

 ASSI {  783}
   (( segid "   A" and resid 89   and name  HA  ))
   (( segid "   A" and resid 88   and name  HN  ))
      3.557     1.581     1.581 peak   783 weight  1.00000E+00 volume  1.31583E+07 ppm1      8.038 ppm2      4.256

 ASSI { 1741}
   (  segid "   A" and resid 89   and name  HG2#)
   (( segid "   A" and resid 89   and name  HA  ))
      2.046     0.523     0.523 peak  1741 weight  1.00000E+00 volume  4.89190E+06 ppm1      1.262 ppm2      4.275

 ASSI { 2008}
   (  segid "   A" and resid 89   and name  HG2#)
   (( segid "   A" and resid 89   and name  HB  ))
      1.921     0.461     0.461 peak  2008 weight  1.00000E+00 volume  5.49173E+06 ppm1      4.010 ppm2      1.306

 ASSI { 2010}
   (( segid "   A" and resid 89   and name  HA  ))
   (( segid "   A" and resid 89   and name  HB  ))
      2.564     0.822     0.822 peak  2010 weight  1.00000E+00 volume  1.96918E+06 ppm1      4.009 ppm2      4.251

 ASSI {  782}
   (( segid "   A" and resid 89   and name  HB  ))
   (( segid "   A" and resid 89   and name  HN  ))
      2.315     0.670     0.670 peak   782 weight  1.00000E+00 volume  1.45173E+08 ppm1      9.143 ppm2      3.990

 ASSI {  781}
   (( segid "   A" and resid 89   and name  HA  ))
   (( segid "   A" and resid 89   and name  HN  ))
      2.817     0.992     0.992 peak   781 weight  1.00000E+00 volume  5.33021E+07 ppm1      9.144 ppm2      4.243

 ASSI {  954}
   (  segid "   A" and resid 89   and name  HG2#)
   (( segid "   A" and resid 90   and name  HN  ))
      2.362     0.697     0.697 peak   954 weight  1.00000E+00 volume  1.53525E+08 ppm1      8.271 ppm2      1.282

 ASSI {  257}
   (( segid "   A" and resid 89   and name  HN  ))
   (( segid "   A" and resid 90   and name  HN  ))
      3.640     1.656     1.656 peak   257 weight  1.00000E+00 volume  1.14516E+07 ppm1      9.143 ppm2      8.295

 ASSI {  779}
   (( segid "   A" and resid 89   and name  HA  ))
   (( segid "   A" and resid 90   and name  HN  ))
      2.264     0.641     0.641 peak   779 weight  1.00000E+00 volume  1.97871E+08 ppm1      8.270 ppm2      4.249

 ASSI { 2693}
   (  segid "   A" and resid 89   and name  HG2#)
   (( segid "   A" and resid 93   and name  HN  ))
      2.620     0.858     0.858 peak  2693 weight  1.00000E+00 volume  5.57200E+07 ppm1      7.542 ppm2      1.290

 ASSI { 2123}
   (  segid "   A" and resid 89   and name  HG2#)
   (( segid "   A" and resid 93   and name  HA2 ))
      2.487     0.773     0.773 peak  2123 weight  1.00000E+00 volume  1.96477E+06 ppm1      3.421 ppm2      1.297

 ASSI { 3846}
   (  segid "   A" and resid 89   and name  HG2#)
   (( segid "   A" and resid 93   and name  HA1 ))
      1.937     0.469     0.469 peak  3846 weight  1.00000E+00 volume  1.06000E+07 ppm1      1.304 ppm2      4.621

 ASSI { 1902}
   (  segid "   A" and resid 89   and name  HG2#)
   (( segid "   A" and resid 94   and name  HN  ))
      3.121     1.217     1.217 peak  1902 weight  1.00000E+00 volume  2.22299E+07 ppm1      8.441 ppm2      1.282

 ASSI { 3848}
   (  segid "   A" and resid 89   and name  HG2#)
   (( segid "   A" and resid 95   and name  HA  ))
      2.552     0.814     0.814 peak  3848 weight  1.00000E+00 volume  2.02500E+06 ppm1      1.310 ppm2      5.030

 ASSI { 3849}
   (  segid "   A" and resid 89   and name  HG2#)
   (( segid "   A" and resid 95   and name  HN  ))
      2.558     0.818     0.818 peak  3849 weight  1.00000E+00 volume  1.99700E+06 ppm1      1.306 ppm2      8.879

 ASSI { 3869}
   (( segid "   A" and resid 89   and name  HA  ))
   (( segid "   A" and resid 95   and name  HA  ))
      2.091     0.546     0.546 peak  3869 weight  1.00000E+00 volume  6.70500E+06 ppm1      5.046 ppm2      4.268

 ASSI { 2698}
   (( segid "   A" and resid 89   and name  HA  ))
   (( segid "   A" and resid 96   and name  HN  ))
      2.833     1.003     1.003 peak  2698 weight  1.00000E+00 volume  5.15600E+07 ppm1      9.105 ppm2      4.241

 ASSI { 2038}
   (( segid "   A" and resid 90   and name  HB2 ))
   (( segid "   A" and resid 90   and name  HA  ))
      2.372     0.703     0.703 peak  2038 weight  1.00000E+00 volume  3.14161E+06 ppm1      4.022 ppm2      4.981

 ASSI {  784}
   (( segid "   A" and resid 90   and name  HN  ))
   (( segid "   A" and resid 90   and name  HA  ))
      2.513     0.789     0.789 peak   784 weight  1.00000E+00 volume  1.05864E+08 ppm1      8.268 ppm2      4.979

 ASSI {  258}
   (( segid "   A" and resid 90   and name  HN  ))
   (( segid "   A" and resid 91   and name  HN  ))
      3.392     1.438     1.438 peak   258 weight  1.00000E+00 volume  1.74959E+07 ppm1      8.275 ppm2      9.584

 ASSI {  544}
   (( segid "   A" and resid 90   and name  HB2 ))
   (( segid "   A" and resid 91   and name  HN  ))
      2.994     1.121     1.121 peak   544 weight  1.00000E+00 volume  3.69700E+07 ppm1      9.592 ppm2      4.011

 ASSI {  545}
   (( segid "   A" and resid 90   and name  HA  ))
   (( segid "   A" and resid 91   and name  HN  ))
      2.504     0.784     0.784 peak   545 weight  1.00000E+00 volume  1.08058E+08 ppm1      9.590 ppm2      4.963

 ASSI { 2679}
   (( segid "   A" and resid 90   and name  HN  ))
   (( segid "   A" and resid 92   and name  HN  ))
      3.429     1.470     1.470 peak  2679 weight  1.00000E+00 volume  1.63800E+07 ppm1      7.431 ppm2      8.259

 ASSI { 2681}
   (( segid "   A" and resid 90   and name  HB2 ))
   (( segid "   A" and resid 92   and name  HN  ))
      2.802     0.982     0.982 peak  2681 weight  1.00000E+00 volume  5.49900E+07 ppm1      7.430 ppm2      3.991

 ASSI { 2672}
   (( segid "   A" and resid 90   and name  HN  ))
   (( segid "   A" and resid 93   and name  HA2 ))
      3.559     1.583     1.583 peak  2672 weight  1.00000E+00 volume  1.31100E+07 ppm1      8.263 ppm2      3.396

 ASSI { 2667}
   (( segid "   A" and resid 90   and name  HN  ))
   (( segid "   A" and resid 94   and name  HN  ))
      3.046     1.160     1.160 peak  2667 weight  1.00000E+00 volume  3.33400E+07 ppm1      8.266 ppm2      8.426

 ASSI { 3560}
   (  segid "   A" and resid 91   and name  HD2#)
   (  segid "   A" and resid 29   and name  HB# )
      2.498     0.780     0.780 peak  3560 weight  1.00000E+00 volume  2.30600E+06 ppm1      1.248 ppm2      0.975

 ASSI { 3852}
   (  segid "   A" and resid 91   and name  HD1#)
   (  segid "   A" and resid 29   and name  HB# )
      2.425     0.735     0.735 peak  3852 weight  1.00000E+00 volume  2.75400E+06 ppm1      0.898 ppm2      1.207

 ASSI { 3855}
   (  segid "   A" and resid 91   and name  HD1#)
   (( segid "   A" and resid 30   and name  HA  ))
      2.605     0.848     0.848 peak  3855 weight  1.00000E+00 volume  1.79000E+06 ppm1      0.896 ppm2      3.952

 ASSI { 1364}
   (( segid "   A" and resid 91   and name  HB1 ))
   (( segid "   A" and resid 30   and name  HN  ))
      3.373     1.423     1.423 peak  1364 weight  1.00000E+00 volume  1.80733E+07 ppm1      7.439 ppm2      1.912

 ASSI { 3280}
   (( segid "   A" and resid 91   and name  HA  ))
   (  segid "   A" and resid 73   and name  HG1#)
      2.150     0.578     0.578 peak  3280 weight  1.00000E+00 volume  5.67338E+06 ppm1      0.898 ppm2      4.235
 OR { 3280}
   (  segid "   A" and resid 58   and name  HG1#)
   (( segid "   A" and resid 59   and name  HA  ))

 ASSI { 3419}
   (( segid "   A" and resid 91   and name  HA  ))
   (  segid "   A" and resid 73   and name  HG1#)
      2.153     0.580     0.580 peak  3419 weight  1.00000E+00 volume  5.61700E+06 ppm1      4.212 ppm2      0.848

 ASSI { 3856}
   (  segid "   A" and resid 91   and name  HD1#)
   (( segid "   A" and resid 73   and name  HA  ))
      2.899     1.051     1.051 peak  3856 weight  1.00000E+00 volume  9.42800E+05 ppm1      0.897 ppm2      4.413

 ASSI { 2674}
   (( segid "   A" and resid 91   and name  HN  ))
   (( segid "   A" and resid 73   and name  HA  ))
      2.915     1.062     1.062 peak  2674 weight  1.00000E+00 volume  4.34500E+07 ppm1      9.585 ppm2      4.413

 ASSI { 2079}
   (  segid "   A" and resid 91   and name  HD2#)
   (  segid "   A" and resid 74   and name  HB# )
      1.913     0.457     0.457 peak  2079 weight  1.00000E+00 volume  1.14316E+07 ppm1      0.989 ppm2      1.421
 OR { 2079}
   (  segid "   A" and resid 111  and name  HG1#)
   (( segid "   A" and resid 104  and name  HB2 ))

 ASSI { 3751}
   (  segid "   A" and resid 91   and name  HD2#)
   (  segid "   A" and resid 74   and name  HB# )
      1.979     0.489     0.489 peak  3751 weight  1.00000E+00 volume  9.32300E+06 ppm1      1.436 ppm2      0.963

 ASSI { 3752}
   (( segid "   A" and resid 91   and name  HA  ))
   (  segid "   A" and resid 74   and name  HB# )
      2.704     0.914     0.914 peak  3752 weight  1.00000E+00 volume  1.43300E+06 ppm1      1.436 ppm2      4.248

 ASSI { 3853}
   (  segid "   A" and resid 91   and name  HD1#)
   (  segid "   A" and resid 74   and name  HB# )
      2.249     0.632     0.632 peak  3853 weight  1.00000E+00 volume  4.32500E+06 ppm1      0.897 ppm2      1.411

 ASSI { 2581}
   (( segid "   A" and resid 91   and name  HG  ))
   (( segid "   A" and resid 74   and name  HN  ))
      3.012     1.134     1.134 peak  2581 weight  1.00000E+00 volume  3.56700E+07 ppm1      9.305 ppm2      1.777

 ASSI { 2582}
   (  segid "   A" and resid 91   and name  HD2#)
   (( segid "   A" and resid 74   and name  HN  ))
      2.491     0.775     0.775 peak  2582 weight  1.00000E+00 volume  7.07000E+07 ppm1      9.302 ppm2      0.979

 ASSI {   97}
   (( segid "   A" and resid 91   and name  HA  ))
   (( segid "   A" and resid 91   and name  HB2 ))
      2.126     0.565     0.565 peak    97 weight  1.00000E+00 volume  6.05643E+06 ppm1      4.215 ppm2      1.589

 ASSI {   98}
   (( segid "   A" and resid 91   and name  HA  ))
   (  segid "   A" and resid 91   and name  HD2#)
      1.917     0.459     0.459 peak    98 weight  1.00000E+00 volume  1.01052E+07 ppm1      4.213 ppm2      0.983

 ASSI { 2043}
   (( segid "   A" and resid 91   and name  HB2 ))
   (( segid "   A" and resid 91   and name  HB1 ))
      2.092     0.547     0.547 peak  2043 weight  1.00000E+00 volume  6.17777E+06 ppm1      1.926 ppm2      1.619

 ASSI { 2045}
   (( segid "   A" and resid 91   and name  HB1 ))
   (  segid "   A" and resid 91   and name  HD1#)
      1.992     0.496     0.496 peak  2045 weight  1.00000E+00 volume  7.52907E+06 ppm1      1.926 ppm2      0.903

 ASSI { 2046}
   (( segid "   A" and resid 91   and name  HB2 ))
   (  segid "   A" and resid 91   and name  HD1#)
      2.068     0.535     0.535 peak  2046 weight  1.00000E+00 volume  5.98066E+06 ppm1      1.620 ppm2      0.904

 ASSI { 2048}
   (( segid "   A" and resid 91   and name  HB2 ))
   (  segid "   A" and resid 91   and name  HD2#)
      2.092     0.547     0.547 peak  2048 weight  1.00000E+00 volume  5.50280E+06 ppm1      1.619 ppm2      0.995

 ASSI { 2049}
   (( segid "   A" and resid 91   and name  HA  ))
   (( segid "   A" and resid 91   and name  HB1 ))
      2.751     0.946     0.946 peak  2049 weight  1.00000E+00 volume  1.29235E+06 ppm1      1.923 ppm2      4.233

 ASSI { 2054}
   (( segid "   A" and resid 91   and name  HB1 ))
   (( segid "   A" and resid 91   and name  HN  ))
      2.661     0.885     0.885 peak  2054 weight  1.00000E+00 volume  1.57630E+06 ppm1      1.932 ppm2      9.576

 ASSI {  787}
   (( segid "   A" and resid 91   and name  HB2 ))
   (( segid "   A" and resid 91   and name  HN  ))
      2.540     0.806     0.806 peak   787 weight  1.00000E+00 volume  6.49836E+07 ppm1      9.590 ppm2      1.597

 ASSI { 2060}
   (  segid "   A" and resid 91   and name  HD2#)
   (  segid "   A" and resid 91   and name  HD1#)
      1.613     0.325     0.325 peak  2060 weight  1.00000E+00 volume  3.17540E+07 ppm1      0.898 ppm2      0.997

 ASSI { 2081}
   (  segid "   A" and resid 91   and name  HD2#)
   (( segid "   A" and resid 91   and name  HG  ))
      1.968     0.484     0.484 peak  2081 weight  1.00000E+00 volume  9.63052E+06 ppm1      0.991 ppm2      1.799

 ASSI { 2064}
   (  segid "   A" and resid 91   and name  HD1#)
   (( segid "   A" and resid 91   and name  HG  ))
      2.022     0.511     0.511 peak  2064 weight  1.00000E+00 volume  8.18709E+06 ppm1      0.896 ppm2      1.810

 ASSI { 2092}
   (( segid "   A" and resid 91   and name  HB1 ))
   (( segid "   A" and resid 91   and name  HG  ))
      1.989     0.495     0.495 peak  2092 weight  1.00000E+00 volume  9.02870E+06 ppm1      1.789 ppm2      1.927

 ASSI { 2093}
   (( segid "   A" and resid 91   and name  HA  ))
   (( segid "   A" and resid 91   and name  HG  ))
      2.560     0.819     0.819 peak  2093 weight  1.00000E+00 volume  1.99118E+06 ppm1      1.796 ppm2      4.213

 ASSI {  786}
   (( segid "   A" and resid 91   and name  HA  ))
   (( segid "   A" and resid 91   and name  HN  ))
      2.673     0.893     0.893 peak   786 weight  1.00000E+00 volume  7.31007E+07 ppm1      9.589 ppm2      4.193

 ASSI { 2677}
   (  segid "   A" and resid 91   and name  HD2#)
   (( segid "   A" and resid 91   and name  HN  ))
      2.643     0.873     0.873 peak  2677 weight  1.00000E+00 volume  6.63500E+07 ppm1      9.591 ppm2      0.963

 ASSI {  264}
   (( segid "   A" and resid 91   and name  HN  ))
   (( segid "   A" and resid 92   and name  HN  ))
      2.703     0.913     0.913 peak   264 weight  1.00000E+00 volume  6.82766E+07 ppm1      7.429 ppm2      9.578

 ASSI {  546}
   (( segid "   A" and resid 91   and name  HA  ))
   (( segid "   A" and resid 92   and name  HN  ))
      2.807     0.985     0.985 peak   546 weight  1.00000E+00 volume  5.44706E+07 ppm1      7.430 ppm2      4.192

 ASSI {  547}
   (( segid "   A" and resid 91   and name  HB2 ))
   (( segid "   A" and resid 92   and name  HN  ))
      2.632     0.866     0.866 peak   547 weight  1.00000E+00 volume  8.00680E+07 ppm1      7.430 ppm2      1.594

 ASSI { 2683}
   (( segid "   A" and resid 91   and name  HB1 ))
   (( segid "   A" and resid 92   and name  HN  ))
      2.422     0.733     0.733 peak  2683 weight  1.00000E+00 volume  1.32000E+08 ppm1      7.430 ppm2      1.911

 ASSI { 2689}
   (( segid "   A" and resid 91   and name  HA  ))
   (( segid "   A" and resid 93   and name  HN  ))
      2.955     1.091     1.091 peak  2689 weight  1.00000E+00 volume  4.00400E+07 ppm1      7.545 ppm2      4.198

 ASSI { 2712}
   (  segid "   A" and resid 91   and name  HD2#)
   (( segid "   A" and resid 93   and name  HN  ))
      3.639     1.655     1.655 peak  2712 weight  1.00000E+00 volume  1.14700E+07 ppm1      7.543 ppm2      0.979

 ASSI { 2105}
   (( segid "   A" and resid 92   and name  HB1 ))
   (( segid "   A" and resid 92   and name  HB2 ))
      2.747     0.943     0.943 peak  2105 weight  1.00000E+00 volume  1.30271E+06 ppm1      2.581 ppm2      1.818

 ASSI { 2106}
   (( segid "   A" and resid 92   and name  HB2 ))
   (( segid "   A" and resid 92   and name  HG1 ))
      2.478     0.768     0.768 peak  2106 weight  1.00000E+00 volume  2.41504E+06 ppm1      1.801 ppm2      2.579

 ASSI { 2108}
   (( segid "   A" and resid 92   and name  HB1 ))
   (( segid "   A" and resid 92   and name  HA  ))
      2.827     0.999     0.999 peak  2108 weight  1.00000E+00 volume  1.09617E+06 ppm1      2.581 ppm2      3.933

 ASSI { 2099}
   (( segid "   A" and resid 92   and name  HB2 ))
   (( segid "   A" and resid 92   and name  HA  ))
      2.318     0.672     0.672 peak  2099 weight  1.00000E+00 volume  3.61005E+06 ppm1      3.915 ppm2      1.805

 ASSI { 2112}
   (( segid "   A" and resid 92   and name  HG1 ))
   (( segid "   A" and resid 92   and name  HG2 ))
      2.271     0.645     0.645 peak  2112 weight  1.00000E+00 volume  3.49124E+06 ppm1      2.519 ppm2      2.337

 ASSI { 2117}
   (( segid "   A" and resid 92   and name  HA  ))
   (( segid "   A" and resid 92   and name  HG1 ))
      2.750     0.946     0.946 peak  2117 weight  1.00000E+00 volume  1.29336E+06 ppm1      2.525 ppm2      3.907

 ASSI { 3866}
   (( segid "   A" and resid 92   and name  HB1 ))
   (( segid "   A" and resid 92   and name  HG1 ))
      2.672     0.892     0.892 peak  3866 weight  1.00000E+00 volume  1.53900E+06 ppm1      2.520 ppm2      1.788

 ASSI { 2116}
   (( segid "   A" and resid 92   and name  HB2 ))
   (( segid "   A" and resid 92   and name  HG2 ))
      2.305     0.664     0.664 peak  2116 weight  1.00000E+00 volume  3.73093E+06 ppm1      2.331 ppm2      1.799

 ASSI {  788}
   (( segid "   A" and resid 92   and name  HA  ))
   (( segid "   A" and resid 92   and name  HN  ))
      2.401     0.721     0.721 peak   788 weight  1.00000E+00 volume  1.38959E+08 ppm1      7.430 ppm2      3.896

 ASSI {  958}
   (( segid "   A" and resid 92   and name  HN  ))
   (( segid "   A" and resid 92   and name  HG1 ))
      2.408     0.725     0.725 peak   958 weight  1.00000E+00 volume  1.36547E+08 ppm1      7.431 ppm2      2.565

 ASSI {  959}
   (( segid "   A" and resid 92   and name  HN  ))
   (( segid "   A" and resid 92   and name  HG2 ))
      2.912     1.060     1.060 peak   959 weight  1.00000E+00 volume  4.36696E+07 ppm1      7.428 ppm2      2.315

 ASSI {  794}
   (( segid "   A" and resid 92   and name  HN  ))
   (( segid "   A" and resid 93   and name  HA1 ))
      3.354     1.406     1.406 peak   794 weight  1.00000E+00 volume  1.87249E+07 ppm1      7.431 ppm2      4.579

 ASSI { 2692}
   (( segid "   A" and resid 92   and name  HB1 ))
   (( segid "   A" and resid 93   and name  HN  ))
      2.872     1.031     1.031 peak  2692 weight  1.00000E+00 volume  4.74200E+07 ppm1      7.542 ppm2      1.775

 ASSI { 2118}
   (( segid "   A" and resid 92   and name  HG2 ))
   (( segid "   A" and resid 94   and name  HB2 ))
      2.401     0.721     0.721 peak  2118 weight  1.00000E+00 volume  2.91970E+06 ppm1      2.319 ppm2      3.906

 ASSI {  960}
   (( segid "   A" and resid 92   and name  HG1 ))
   (( segid "   A" and resid 94   and name  HN  ))
      3.011     1.133     1.133 peak   960 weight  1.00000E+00 volume  3.57466E+07 ppm1      8.440 ppm2      2.559

 ASSI {  961}
   (( segid "   A" and resid 92   and name  HG2 ))
   (( segid "   A" and resid 94   and name  HN  ))
      3.375     1.424     1.424 peak   961 weight  1.00000E+00 volume  1.80159E+07 ppm1      8.433 ppm2      2.347

 ASSI {  263}
   (( segid "   A" and resid 92   and name  HN  ))
   (( segid "   A" and resid 94   and name  HN  ))
      3.036     1.152     1.152 peak   263 weight  1.00000E+00 volume  3.39883E+07 ppm1      7.431 ppm2      8.420

 ASSI { 2668}
   (( segid "   A" and resid 93   and name  HN  ))
   (( segid "   A" and resid 90   and name  HN  ))
      3.356     1.408     1.408 peak  2668 weight  1.00000E+00 volume  1.86500E+07 ppm1      8.274 ppm2      7.541

 ASSI { 2687}
   (( segid "   A" and resid 93   and name  HN  ))
   (( segid "   A" and resid 90   and name  HA  ))
      3.116     1.214     1.214 peak  2687 weight  1.00000E+00 volume  2.90900E+07 ppm1      7.547 ppm2      4.950

 ASSI { 2686}
   (( segid "   A" and resid 93   and name  HN  ))
   (( segid "   A" and resid 91   and name  HN  ))
      3.375     1.424     1.424 peak  2686 weight  1.00000E+00 volume  1.80100E+07 ppm1      7.537 ppm2      9.571

 ASSI {  266}
   (( segid "   A" and resid 93   and name  HN  ))
   (( segid "   A" and resid 92   and name  HN  ))
      2.082     0.542     0.542 peak   266 weight  1.00000E+00 volume  1.48581E+08 ppm1      7.430 ppm2      7.537

 ASSI {  548}
   (( segid "   A" and resid 93   and name  HN  ))
   (( segid "   A" and resid 92   and name  HA  ))
      2.713     0.920     0.920 peak   548 weight  1.00000E+00 volume  6.68450E+07 ppm1      7.542 ppm2      3.898

 ASSI {  957}
   (( segid "   A" and resid 93   and name  HN  ))
   (( segid "   A" and resid 92   and name  HG1 ))
      2.785     0.969     0.969 peak   957 weight  1.00000E+00 volume  5.71233E+07 ppm1      7.543 ppm2      2.567

 ASSI { 2690}
   (( segid "   A" and resid 93   and name  HN  ))
   (( segid "   A" and resid 92   and name  HG2 ))
      3.376     1.424     1.424 peak  2690 weight  1.00000E+00 volume  1.80000E+07 ppm1      7.545 ppm2      2.314

 ASSI {  793}
   (( segid "   A" and resid 93   and name  HN  ))
   (( segid "   A" and resid 93   and name  HA2 ))
      2.316     0.670     0.670 peak   793 weight  1.00000E+00 volume  1.72650E+08 ppm1      7.542 ppm2      3.398

 ASSI { 2121}
   (( segid "   A" and resid 93   and name  HA2 ))
   (( segid "   A" and resid 93   and name  HA1 ))
      2.029     0.515     0.515 peak  2121 weight  1.00000E+00 volume  8.01491E+06 ppm1      3.424 ppm2      4.569

 ASSI {  792}
   (( segid "   A" and resid 93   and name  HN  ))
   (( segid "   A" and resid 93   and name  HA1 ))
      2.380     0.708     0.708 peak   792 weight  1.00000E+00 volume  1.46466E+08 ppm1      7.542 ppm2      4.563

 ASSI {  269}
   (( segid "   A" and resid 93   and name  HN  ))
   (( segid "   A" and resid 94   and name  HN  ))
      2.550     0.813     0.813 peak   269 weight  1.00000E+00 volume  9.68315E+07 ppm1      7.543 ppm2      8.435

 ASSI {  790}
   (( segid "   A" and resid 93   and name  HA2 ))
   (( segid "   A" and resid 94   and name  HN  ))
      2.914     1.061     1.061 peak   790 weight  1.00000E+00 volume  4.35038E+07 ppm1      8.433 ppm2      3.398

 ASSI {  791}
   (( segid "   A" and resid 93   and name  HA1 ))
   (( segid "   A" and resid 94   and name  HN  ))
      2.667     0.889     0.889 peak   791 weight  1.00000E+00 volume  7.39764E+07 ppm1      8.440 ppm2      4.568

 ASSI { 2127}
   (( segid "   A" and resid 94   and name  HB1 ))
   (( segid "   A" and resid 94   and name  HA  ))
      2.424     0.734     0.734 peak  2127 weight  1.00000E+00 volume  2.76274E+06 ppm1      3.970 ppm2      4.762

 ASSI { 2128}
   (( segid "   A" and resid 94   and name  HB2 ))
   (( segid "   A" and resid 94   and name  HA  ))
      2.581     0.832     0.832 peak  2128 weight  1.00000E+00 volume  1.89568E+06 ppm1      3.907 ppm2      4.764

 ASSI {  796}
   (( segid "   A" and resid 94   and name  HA  ))
   (( segid "   A" and resid 94   and name  HN  ))
      2.462     0.758     0.758 peak   796 weight  1.00000E+00 volume  1.19576E+08 ppm1      8.439 ppm2      4.771

 ASSI {  797}
   (( segid "   A" and resid 94   and name  HB1 ))
   (( segid "   A" and resid 94   and name  HN  ))
      2.550     0.813     0.813 peak   797 weight  1.00000E+00 volume  9.68659E+07 ppm1      8.436 ppm2      3.953

 ASSI {  549}
   (( segid "   A" and resid 94   and name  HA  ))
   (( segid "   A" and resid 95   and name  HN  ))
      2.600     0.845     0.845 peak   549 weight  1.00000E+00 volume  8.62250E+07 ppm1      8.896 ppm2      4.782

 ASSI {  550}
   (( segid "   A" and resid 94   and name  HB1 ))
   (( segid "   A" and resid 95   and name  HN  ))
      3.337     1.392     1.392 peak   550 weight  1.00000E+00 volume  1.92750E+07 ppm1      8.887 ppm2      3.956

 ASSI { 3808}
   (  segid "   A" and resid 95   and name  HG2#)
   (  segid "   A" and resid 87   and name  HD1#)
      2.020     0.510     0.510 peak  3808 weight  1.00000E+00 volume  8.23900E+06 ppm1      0.836 ppm2      1.244

 ASSI { 1959}
   (  segid "   A" and resid 95   and name  HG2#)
   (  segid "   A" and resid 87   and name  HG2#)
      1.787     0.399     0.399 peak  1959 weight  1.00000E+00 volume  6.08958E+06 ppm1      0.779 ppm2      1.250

 ASSI {  956}
   (  segid "   A" and resid 95   and name  HG2#)
   (( segid "   A" and resid 88   and name  HN  ))
      2.782     0.968     0.968 peak   956 weight  1.00000E+00 volume  5.74089E+07 ppm1      8.037 ppm2      1.273

 ASSI { 2665}
   (( segid "   A" and resid 95   and name  HA  ))
   (( segid "   A" and resid 89   and name  HN  ))
      3.123     1.219     1.219 peak  2665 weight  1.00000E+00 volume  2.87000E+07 ppm1      9.144 ppm2      5.023

 ASSI {  273}
   (( segid "   A" and resid 95   and name  HN  ))
   (( segid "   A" and resid 94   and name  HN  ))
      3.311     1.370     1.370 peak   273 weight  1.00000E+00 volume  2.02157E+07 ppm1      8.440 ppm2      8.880

 ASSI { 1743}
   (  segid "   A" and resid 95   and name  HG2#)
   (( segid "   A" and resid 95   and name  HA  ))
      2.095     0.549     0.549 peak  1743 weight  1.00000E+00 volume  6.61397E+06 ppm1      1.260 ppm2      5.034

 ASSI { 2136}
   (( segid "   A" and resid 95   and name  HA  ))
   (( segid "   A" and resid 95   and name  HB  ))
      2.849     1.014     1.014 peak  2136 weight  1.00000E+00 volume  1.04795E+06 ppm1      4.127 ppm2      5.030

 ASSI { 2150}
   (  segid "   A" and resid 95   and name  HG2#)
   (( segid "   A" and resid 95   and name  HB  ))
      1.781     0.397     0.397 peak  2150 weight  1.00000E+00 volume  1.75381E+07 ppm1      1.261 ppm2      4.107

 ASSI {  800}
   (( segid "   A" and resid 95   and name  HA  ))
   (( segid "   A" and resid 95   and name  HN  ))
      3.311     1.370     1.370 peak   800 weight  1.00000E+00 volume  2.02234E+07 ppm1      8.899 ppm2      5.052

 ASSI {  801}
   (( segid "   A" and resid 95   and name  HB  ))
   (( segid "   A" and resid 95   and name  HN  ))
      3.790     1.795     1.795 peak   801 weight  1.00000E+00 volume  8.99404E+06 ppm1      8.894 ppm2      4.100

 ASSI {  963}
   (  segid "   A" and resid 95   and name  HG2#)
   (( segid "   A" and resid 95   and name  HN  ))
      2.914     1.061     1.061 peak   963 weight  1.00000E+00 volume  4.35503E+07 ppm1      8.893 ppm2      1.241

 ASSI {  962}
   (  segid "   A" and resid 95   and name  HG2#)
   (( segid "   A" and resid 96   and name  HN  ))
      2.286     0.653     0.653 peak   962 weight  1.00000E+00 volume  1.35196E+08 ppm1      9.105 ppm2      1.248

 ASSI {  552}
   (( segid "   A" and resid 95   and name  HA  ))
   (( segid "   A" and resid 96   and name  HN  ))
      2.308     0.666     0.666 peak   552 weight  1.00000E+00 volume  1.76440E+08 ppm1      9.105 ppm2      5.048

 ASSI { 1996}
   (( segid "   A" and resid 96   and name  HB  ))
   (  segid "   A" and resid 88   and name  HG1#)
      2.049     0.525     0.525 peak  1996 weight  1.00000E+00 volume  7.56773E+06 ppm1      0.801 ppm2      1.588

 ASSI { 2660}
   (( segid "   A" and resid 96   and name  HB  ))
   (( segid "   A" and resid 88   and name  HN  ))
      2.800     0.980     0.980 peak  2660 weight  1.00000E+00 volume  5.53300E+07 ppm1      8.038 ppm2      1.569

 ASSI { 1858}
   (  segid "   A" and resid 96   and name  HD1#)
   (( segid "   A" and resid 90   and name  HN  ))
      2.938     1.079     1.079 peak  1858 weight  1.00000E+00 volume  4.13950E+07 ppm1      8.271 ppm2      0.526
 OR { 1858}
   (  segid "   A" and resid 98   and name  HD1#)
   (( segid "   A" and resid 106  and name  HN  ))

 ASSI { 2673}
   (  segid "   A" and resid 96   and name  HD1#)
   (( segid "   A" and resid 90   and name  HN  ))
      2.938     1.079     1.079 peak  2673 weight  1.00000E+00 volume  4.14000E+07 ppm1      8.271 ppm2      0.526

 ASSI { 1903}
   (  segid "   A" and resid 96   and name  HD1#)
   (( segid "   A" and resid 94   and name  HN  ))
      3.396     1.442     1.442 peak  1903 weight  1.00000E+00 volume  1.73588E+07 ppm1      8.434 ppm2      0.549

 ASSI { 3877}
   (  segid "   A" and resid 96   and name  HD1#)
   (( segid "   A" and resid 95   and name  HA  ))
      2.583     0.834     0.834 peak  3877 weight  1.00000E+00 volume  1.88600E+06 ppm1      0.551 ppm2      5.047

 ASSI {  551}
   (( segid "   A" and resid 96   and name  HN  ))
   (( segid "   A" and resid 95   and name  HB  ))
      2.501     0.782     0.782 peak   551 weight  1.00000E+00 volume  1.08890E+08 ppm1      9.103 ppm2      4.110

 ASSI {    3}
   (  segid "   A" and resid 96   and name  HD1#)
   (( segid "   A" and resid 96   and name  HB  ))
      2.106     0.555     0.555 peak     3 weight  1.00000E+00 volume  6.41054E+06 ppm1      0.552 ppm2      1.606

 ASSI { 2157}
   (( segid "   A" and resid 96   and name  HB  ))
   (  segid "   A" and resid 96   and name  HG2#)
      2.118     0.561     0.561 peak  2157 weight  1.00000E+00 volume  3.82872E+06 ppm1      1.599 ppm2      0.434

 ASSI { 2699}
   (( segid "   A" and resid 96   and name  HB  ))
   (( segid "   A" and resid 96   and name  HN  ))
      2.527     0.798     0.798 peak  2699 weight  1.00000E+00 volume  9.40100E+07 ppm1      9.105 ppm2      1.568

 ASSI { 2170}
   (  segid "   A" and resid 96   and name  HD1#)
   (( segid "   A" and resid 96   and name  HA  ))
      2.570     0.826     0.826 peak  2170 weight  1.00000E+00 volume  1.94233E+06 ppm1      0.548 ppm2      4.447

 ASSI {    2}
   (  segid "   A" and resid 96   and name  HD1#)
   (( segid "   A" and resid 96   and name  HG12))
      1.879     0.441     0.441 peak     2 weight  1.00000E+00 volume  1.27226E+07 ppm1      0.552 ppm2      1.252

 ASSI { 2179}
   (( segid "   A" and resid 96   and name  HG12))
   (( segid "   A" and resid 96   and name  HG11))
      2.204     0.607     0.607 peak  2179 weight  1.00000E+00 volume  4.88292E+06 ppm1      0.549 ppm2      1.254

 ASSI { 2181}
   (( segid "   A" and resid 96   and name  HG11))
   (( segid "   A" and resid 96   and name  HA  ))
      2.903     1.053     1.053 peak  2181 weight  1.00000E+00 volume  9.36250E+05 ppm1      0.552 ppm2      4.456

 ASSI { 2187}
   (( segid "   A" and resid 96   and name  HG11))
   (  segid "   A" and resid 96   and name  HG2#)
      1.713     0.367     0.367 peak  2187 weight  1.00000E+00 volume  2.21625E+07 ppm1      0.430 ppm2      0.551

 ASSI { 2188}
   (( segid "   A" and resid 96   and name  HG12))
   (  segid "   A" and resid 96   and name  HG2#)
      2.293     0.657     0.657 peak  2188 weight  1.00000E+00 volume  3.85644E+06 ppm1      0.429 ppm2      1.264

 ASSI { 2195}
   (( segid "   A" and resid 96   and name  HA  ))
   (  segid "   A" and resid 96   and name  HG2#)
      2.368     0.701     0.701 peak  2195 weight  1.00000E+00 volume  3.17448E+06 ppm1      0.429 ppm2      4.462

 ASSI { 3875}
   (  segid "   A" and resid 96   and name  HD1#)
   (( segid "   A" and resid 96   and name  HG11))
      1.988     0.494     0.494 peak  3875 weight  1.00000E+00 volume  9.06200E+06 ppm1      0.548 ppm2      1.256

 ASSI { 2697}
   (( segid "   A" and resid 96   and name  HA  ))
   (( segid "   A" and resid 96   and name  HN  ))
      2.831     1.002     1.002 peak  2697 weight  1.00000E+00 volume  5.17800E+07 ppm1      9.105 ppm2      4.446

 ASSI { 2703}
   (  segid "   A" and resid 96   and name  HD1#)
   (( segid "   A" and resid 96   and name  HN  ))
      2.627     0.863     0.863 peak  2703 weight  1.00000E+00 volume  8.10100E+07 ppm1      9.104 ppm2      0.540

 ASSI { 2704}
   (( segid "   A" and resid 96   and name  HN  ))
   (  segid "   A" and resid 96   and name  HG2#)
      2.956     1.093     1.093 peak  2704 weight  1.00000E+00 volume  3.98900E+07 ppm1      9.103 ppm2      0.427

 ASSI { 3883}
   (  segid "   A" and resid 96   and name  HG2#)
   (  segid "   A" and resid 97   and name  HG# )
      2.928     1.071     1.071 peak  3883 weight  1.00000E+00 volume  8.89100E+05 ppm1      0.433 ppm2      2.093

 ASSI { 3885}
   (  segid "   A" and resid 96   and name  HG2#)
   (  segid "   A" and resid 97   and name  HD# )
      2.540     0.807     0.807 peak  3885 weight  1.00000E+00 volume  2.08400E+06 ppm1      0.429 ppm2      3.493

 ASSI { 1908}
   (( segid "   A" and resid 96   and name  HN  ))
   (( segid "   A" and resid 97   and name  HB2 ))
      3.921     1.922     1.922 peak  1908 weight  1.00000E+00 volume  7.33088E+06 ppm1      9.111 ppm2      1.820
 OR { 1908}
   (( segid "   A" and resid 87   and name  HB  ))
   (( segid "   A" and resid 96   and name  HN  ))

 ASSI { 2696}
   (( segid "   A" and resid 96   and name  HN  ))
   (( segid "   A" and resid 97   and name  HA  ))
      3.311     1.371     1.371 peak  2696 weight  1.00000E+00 volume  2.02100E+07 ppm1      9.105 ppm2      4.824

 ASSI {  756}
   (( segid "   A" and resid 96   and name  HG11))
   (( segid "   A" and resid 107  and name  HB2 ))
      2.958     1.094     1.094 peak   756 weight  1.00000E+00 volume  8.35866E+05 ppm1      2.535 ppm2      0.582

 ASSI { 2190}
   (  segid "   A" and resid 96   and name  HG2#)
   (( segid "   A" and resid 107  and name  HD1 ))
      2.520     0.794     0.794 peak  2190 weight  1.00000E+00 volume  2.18613E+06 ppm1      0.434 ppm2      1.780
 OR { 2190}
   (( segid "   A" and resid 107  and name  HB1 ))
   (  segid "   A" and resid 96   and name  HG2#)

 ASSI { 2443}
   (( segid "   A" and resid 96   and name  HG11))
   (  segid "   A" and resid 107  and name  HD# )
      2.482     0.770     0.770 peak  2443 weight  1.00000E+00 volume  2.39484E+06 ppm1      1.779 ppm2      0.718

 ASSI { 2447}
   (( segid "   A" and resid 96   and name  HG11))
   (  segid "   A" and resid 107  and name  HE# )
      2.489     0.775     0.775 peak  2447 weight  1.00000E+00 volume  2.35334E+06 ppm1      3.032 ppm2      0.699

 ASSI { 3882}
   (  segid "   A" and resid 96   and name  HG2#)
   (  segid "   A" and resid 107  and name  HD# )
      2.520     0.794     0.794 peak  3882 weight  1.00000E+00 volume  2.18600E+06 ppm1      0.434 ppm2      1.780

 ASSI { 3939}
   (  segid "   A" and resid 96   and name  HG2#)
   (  segid "   A" and resid 107  and name  HE# )
      2.773     0.961     0.961 peak  3939 weight  1.00000E+00 volume  1.23100E+06 ppm1      3.030 ppm2      0.447

 ASSI { 2198}
   (( segid "   A" and resid 97   and name  HB1 ))
   (( segid "   A" and resid 97   and name  HB2 ))
      1.585     0.314     0.314 peak  2198 weight  1.00000E+00 volume  3.52732E+07 ppm1      2.189 ppm2      1.789

 ASSI { 2202}
   (( segid "   A" and resid 97   and name  HB2 ))
   (( segid "   A" and resid 97   and name  HA  ))
      2.438     0.743     0.743 peak  2202 weight  1.00000E+00 volume  2.66565E+06 ppm1      1.804 ppm2      4.866

 ASSI { 2203}
   (( segid "   A" and resid 97   and name  HB1 ))
   (( segid "   A" and resid 97   and name  HA  ))
      2.424     0.734     0.734 peak  2203 weight  1.00000E+00 volume  2.76006E+06 ppm1      2.185 ppm2      4.864

 ASSI {  553}
   (( segid "   A" and resid 97   and name  HB2 ))
   (( segid "   A" and resid 98   and name  HN  ))
      2.745     0.942     0.942 peak   553 weight  1.00000E+00 volume  6.22889E+07 ppm1      8.085 ppm2      1.788

 ASSI {  554}
   (( segid "   A" and resid 97   and name  HB1 ))
   (( segid "   A" and resid 98   and name  HN  ))
      2.694     0.907     0.907 peak   554 weight  1.00000E+00 volume  6.97147E+07 ppm1      8.085 ppm2      2.156

 ASSI {  555}
   (( segid "   A" and resid 97   and name  HA  ))
   (( segid "   A" and resid 98   and name  HN  ))
      2.199     0.604     0.604 peak   555 weight  1.00000E+00 volume  2.35665E+08 ppm1      8.083 ppm2      4.844

 ASSI { 3893}
   (  segid "   A" and resid 98   and name  HG2#)
   (( segid "   A" and resid 83   and name  HB2 ))
      2.146     0.576     0.576 peak  3893 weight  1.00000E+00 volume  5.73400E+06 ppm1      0.695 ppm2      1.833

 ASSI { 2640}
   (  segid "   A" and resid 98   and name  HG2#)
   (( segid "   A" and resid 83   and name  HN  ))
      2.414     0.729     0.729 peak  2640 weight  1.00000E+00 volume  8.87400E+07 ppm1      8.156 ppm2      0.728

 ASSI { 2650}
   (  segid "   A" and resid 98   and name  HG2#)
   (( segid "   A" and resid 86   and name  HN  ))
      2.810     0.987     0.987 peak  2650 weight  1.00000E+00 volume  5.40900E+07 ppm1      8.274 ppm2      0.695

 ASSI { 2165}
   (  segid "   A" and resid 98   and name  HG2#)
   (  segid "   A" and resid 98   and name  HD1#)
      1.720     0.370     0.370 peak  2165 weight  1.00000E+00 volume  2.15976E+07 ppm1      0.552 ppm2      0.713

 ASSI { 2209}
   (( segid "   A" and resid 98   and name  HB  ))
   (( segid "   A" and resid 98   and name  HA  ))
      2.739     0.937     0.937 peak  2209 weight  1.00000E+00 volume  1.32702E+06 ppm1      1.631 ppm2      4.777

 ASSI {  805}
   (( segid "   A" and resid 98   and name  HB  ))
   (( segid "   A" and resid 98   and name  HN  ))
      2.371     0.703     0.703 peak   805 weight  1.00000E+00 volume  1.40369E+08 ppm1      8.083 ppm2      1.607

 ASSI { 2213}
   (( segid "   A" and resid 98   and name  HG12))
   (  segid "   A" and resid 98   and name  HD1#)
      2.004     0.502     0.502 peak  2213 weight  1.00000E+00 volume  8.65174E+06 ppm1      0.554 ppm2      1.187

 ASSI { 2214}
   (( segid "   A" and resid 98   and name  HG11))
   (  segid "   A" and resid 98   and name  HD1#)
      1.997     0.498     0.498 peak  2214 weight  1.00000E+00 volume  8.83472E+06 ppm1      0.557 ppm2      1.329

 ASSI { 2219}
   (  segid "   A" and resid 98   and name  HD1#)
   (( segid "   A" and resid 98   and name  HA  ))
      2.227     0.620     0.620 peak  2219 weight  1.00000E+00 volume  4.58954E+06 ppm1      0.553 ppm2      4.755

 ASSI { 2226}
   (( segid "   A" and resid 98   and name  HG12))
   (( segid "   A" and resid 98   and name  HG11))
      2.100     0.551     0.551 peak  2226 weight  1.00000E+00 volume  6.52818E+06 ppm1      1.326 ppm2      1.195

 ASSI { 2229}
   (  segid "   A" and resid 98   and name  HG2#)
   (( segid "   A" and resid 98   and name  HG12))
      2.516     0.791     0.791 peak  2229 weight  1.00000E+00 volume  2.20693E+06 ppm1      1.190 ppm2      0.688

 ASSI { 2230}
   (  segid "   A" and resid 98   and name  HG2#)
   (( segid "   A" and resid 98   and name  HG11))
      2.410     0.726     0.726 peak  2230 weight  1.00000E+00 volume  2.85549E+06 ppm1      1.329 ppm2      0.734

 ASSI { 2232}
   (( segid "   A" and resid 98   and name  HG12))
   (( segid "   A" and resid 98   and name  HB  ))
      2.393     0.716     0.716 peak  2232 weight  1.00000E+00 volume  2.98329E+06 ppm1      1.195 ppm2      1.614

 ASSI { 2233}
   (( segid "   A" and resid 98   and name  HG11))
   (( segid "   A" and resid 98   and name  HB  ))
      2.149     0.578     0.578 peak  2233 weight  1.00000E+00 volume  5.67694E+06 ppm1      1.329 ppm2      1.614

 ASSI { 2205}
   (  segid "   A" and resid 98   and name  HG2#)
   (( segid "   A" and resid 98   and name  HB  ))
      1.965     0.482     0.482 peak  2205 weight  1.00000E+00 volume  6.96827E+06 ppm1      1.625 ppm2      0.689

 ASSI { 2249}
   (  segid "   A" and resid 98   and name  HG2#)
   (( segid "   A" and resid 98   and name  HA  ))
      2.056     0.528     0.528 peak  2249 weight  1.00000E+00 volume  7.41834E+06 ppm1      0.694 ppm2      4.759

 ASSI {  804}
   (( segid "   A" and resid 98   and name  HA  ))
   (( segid "   A" and resid 98   and name  HN  ))
      2.470     0.763     0.763 peak   804 weight  1.00000E+00 volume  1.17208E+08 ppm1      8.083 ppm2      4.772

 ASSI { 1921}
   (( segid "   A" and resid 98   and name  HG12))
   (( segid "   A" and resid 98   and name  HN  ))
      2.745     0.942     0.942 peak  1921 weight  1.00000E+00 volume  6.23211E+07 ppm1      8.083 ppm2      1.162

 ASSI { 2709}
   (  segid "   A" and resid 98   and name  HG2#)
   (( segid "   A" and resid 98   and name  HN  ))
      2.713     0.920     0.920 peak  2709 weight  1.00000E+00 volume  6.67800E+07 ppm1      8.083 ppm2      0.684

 ASSI { 2710}
   (  segid "   A" and resid 98   and name  HD1#)
   (( segid "   A" and resid 98   and name  HN  ))
      2.769     0.958     0.958 peak  2710 weight  1.00000E+00 volume  5.91600E+07 ppm1      8.085 ppm2      0.544

 ASSI { 3878}
   (  segid "   A" and resid 98   and name  HD1#)
   (( segid "   A" and resid 99   and name  HN  ))
      2.456     0.754     0.754 peak  3878 weight  1.00000E+00 volume  2.55300E+06 ppm1      0.549 ppm2      9.081

 ASSI { 3898}
   (  segid "   A" and resid 98   and name  HG2#)
   (( segid "   A" and resid 99   and name  HN  ))
      2.230     0.622     0.622 peak  3898 weight  1.00000E+00 volume  4.55100E+06 ppm1      0.694 ppm2      9.086

 ASSI {  418}
   (( segid "   A" and resid 98   and name  HN  ))
   (( segid "   A" and resid 99   and name  HN  ))
      3.210     1.288     1.288 peak   418 weight  1.00000E+00 volume  1.50815E+07 ppm1      9.084 ppm2      8.080

 ASSI { 3891}
   (  segid "   A" and resid 98   and name  HD1#)
   (( segid "   A" and resid 105  and name  HN  ))
      2.811     0.988     0.988 peak  3891 weight  1.00000E+00 volume  1.13400E+06 ppm1      0.554 ppm2      8.292

 ASSI { 3897}
   (  segid "   A" and resid 98   and name  HG2#)
   (( segid "   A" and resid 105  and name  HN  ))
      2.658     0.883     0.883 peak  3897 weight  1.00000E+00 volume  1.58600E+06 ppm1      0.697 ppm2      8.319

 ASSI { 2734}
   (  segid "   A" and resid 98   and name  HD1#)
   (( segid "   A" and resid 106  and name  HN  ))
      3.396     1.442     1.442 peak  2734 weight  1.00000E+00 volume  1.73600E+07 ppm1      8.222 ppm2      0.538

 ASSI { 2260}
   (( segid "   A" and resid 99   and name  HB2 ))
   (( segid "   A" and resid 99   and name  HB1 ))
      1.888     0.445     0.445 peak  2260 weight  1.00000E+00 volume  1.18334E+07 ppm1      3.049 ppm2      3.211

 ASSI { 2262}
   (( segid "   A" and resid 99   and name  HB1 ))
   (( segid "   A" and resid 99   and name  HA  ))
      2.251     0.633     0.633 peak  2262 weight  1.00000E+00 volume  4.30743E+06 ppm1      3.217 ppm2      4.931

 ASSI { 2263}
   (( segid "   A" and resid 99   and name  HB2 ))
   (( segid "   A" and resid 99   and name  HA  ))
      2.286     0.653     0.653 peak  2263 weight  1.00000E+00 volume  3.92440E+06 ppm1      3.047 ppm2      4.921

 ASSI { 2264}
   (( segid "   A" and resid 99   and name  HB1 ))
   (( segid "   A" and resid 100  and name  HN  ))
      2.597     0.843     0.843 peak  2264 weight  1.00000E+00 volume  1.82415E+06 ppm1      3.223 ppm2      8.257

 ASSI {  556}
   (( segid "   A" and resid 99   and name  HB2 ))
   (( segid "   A" and resid 100  and name  HN  ))
      2.398     0.719     0.719 peak   556 weight  1.00000E+00 volume  1.40000E+08 ppm1      8.213 ppm2      3.001

 ASSI {  559}
   (( segid "   A" and resid 99   and name  HA  ))
   (( segid "   A" and resid 100  and name  HN  ))
      2.250     0.633     0.633 peak   559 weight  1.00000E+00 volume  2.05095E+08 ppm1      8.214 ppm2      4.882

 ASSI {  420}
   (( segid "   A" and resid 100  and name  HN  ))
   (( segid "   A" and resid 99   and name  HN  ))
      3.612     1.631     1.631 peak   420 weight  1.00000E+00 volume  1.19859E+07 ppm1      8.217 ppm2      9.081

 ASSI { 2267}
   (( segid "   A" and resid 100  and name  HA2 ))
   (( segid "   A" and resid 100  and name  HA1 ))
      2.107     0.555     0.555 peak  2267 weight  1.00000E+00 volume  6.40213E+06 ppm1      4.185 ppm2      3.669

 ASSI {  806}
   (( segid "   A" and resid 100  and name  HN  ))
   (( segid "   A" and resid 100  and name  HA2 ))
      2.513     0.789     0.789 peak   806 weight  1.00000E+00 volume  1.05874E+08 ppm1      8.215 ppm2      4.150

 ASSI {  807}
   (( segid "   A" and resid 100  and name  HN  ))
   (( segid "   A" and resid 100  and name  HA1 ))
      2.373     0.704     0.704 peak   807 weight  1.00000E+00 volume  1.49151E+08 ppm1      8.214 ppm2      3.658

 ASSI { 2268}
   (( segid "   A" and resid 100  and name  HA2 ))
   (( segid "   A" and resid 101  and name  HN  ))
      2.540     0.807     0.807 peak  2268 weight  1.00000E+00 volume  2.08300E+06 ppm1      4.194 ppm2      7.552

 ASSI {  316}
   (( segid "   A" and resid 100  and name  HN  ))
   (( segid "   A" and resid 101  and name  HN  ))
      2.775     0.963     0.963 peak   316 weight  1.00000E+00 volume  3.66326E+07 ppm1      8.213 ppm2      7.521

 ASSI {  560}
   (( segid "   A" and resid 100  and name  HA1 ))
   (( segid "   A" and resid 101  and name  HN  ))
      2.098     0.550     0.550 peak   560 weight  1.00000E+00 volume  3.12722E+08 ppm1      7.525 ppm2      3.657

 ASSI { 1958}
   (( segid "   A" and resid 100  and name  HA2 ))
   (( segid "   A" and resid 105  and name  HN  ))
      2.844     1.011     1.011 peak  1958 weight  1.00000E+00 volume  5.03553E+07 ppm1      8.312 ppm2      4.142

 ASSI { 1959}
   (( segid "   A" and resid 100  and name  HA1 ))
   (( segid "   A" and resid 105  and name  HN  ))
      3.179     1.263     1.263 peak  1959 weight  1.00000E+00 volume  2.58071E+07 ppm1      8.318 ppm2      3.660

 ASSI { 2714}
   (( segid "   A" and resid 100  and name  HN  ))
   (( segid "   A" and resid 105  and name  HG1 ))
      3.502     1.533     1.533 peak  2714 weight  1.00000E+00 volume  1.44500E+07 ppm1      8.218 ppm2      1.952

 ASSI { 2273}
   (( segid "   A" and resid 101  and name  HB1 ))
   (( segid "   A" and resid 101  and name  HB2 ))
      1.593     0.317     0.317 peak  2273 weight  1.00000E+00 volume  3.42584E+07 ppm1      2.658 ppm2      2.529

 ASSI { 2276}
   (( segid "   A" and resid 101  and name  HB1 ))
   (( segid "   A" and resid 101  and name  HA  ))
      2.234     0.624     0.624 peak  2276 weight  1.00000E+00 volume  4.50106E+06 ppm1      2.656 ppm2      4.470

 ASSI { 2277}
   (( segid "   A" and resid 101  and name  HB2 ))
   (( segid "   A" and resid 101  and name  HA  ))
      2.402     0.721     0.721 peak  2277 weight  1.00000E+00 volume  2.91768E+06 ppm1      2.527 ppm2      4.466

 ASSI {  809}
   (( segid "   A" and resid 101  and name  HN  ))
   (( segid "   A" and resid 101  and name  HB1 ))
      2.460     0.756     0.756 peak   809 weight  1.00000E+00 volume  1.20200E+08 ppm1      7.525 ppm2      2.648

 ASSI {  808}
   (( segid "   A" and resid 101  and name  HN  ))
   (( segid "   A" and resid 101  and name  HB2 ))
      2.449     0.750     0.750 peak   808 weight  1.00000E+00 volume  1.23362E+08 ppm1      7.525 ppm2      2.513

 ASSI {  810}
   (( segid "   A" and resid 101  and name  HN  ))
   (( segid "   A" and resid 101  and name  HA  ))
      2.296     0.659     0.659 peak   810 weight  1.00000E+00 volume  1.82074E+08 ppm1      7.525 ppm2      4.443

 ASSI {  811}
   (( segid "   A" and resid 101  and name  HN  ))
   (( segid "   A" and resid 102  and name  HN  ))
      3.653     1.668     1.668 peak   811 weight  1.00000E+00 volume  1.12169E+07 ppm1      7.522 ppm2      8.063

 ASSI { 2717}
   (( segid "   A" and resid 101  and name  HN  ))
   (( segid "   A" and resid 103  and name  HG1 ))
      3.123     1.219     1.219 peak  2717 weight  1.00000E+00 volume  2.87000E+07 ppm1      7.528 ppm2      1.899

 ASSI { 2716}
   (( segid "   A" and resid 102  and name  HB1 ))
   (( segid "   A" and resid 101  and name  HN  ))
      3.438     1.478     1.478 peak  2716 weight  1.00000E+00 volume  1.61200E+07 ppm1      7.522 ppm2      2.795

 ASSI { 1306}
   (( segid "   A" and resid 102  and name  HB2 ))
   (( segid "   A" and resid 102  and name  HA  ))
      2.160     0.583     0.583 peak  1306 weight  1.00000E+00 volume  5.51851E+06 ppm1      2.617 ppm2      4.757

 ASSI { 1301}
   (( segid "   A" and resid 102  and name  HB2 ))
   (( segid "   A" and resid 102  and name  HB1 ))
      1.606     0.322     0.322 peak  1301 weight  1.00000E+00 volume  2.22390E+07 ppm1      2.615 ppm2      2.791

 ASSI { 1304}
   (( segid "   A" and resid 102  and name  HB2 ))
   (( segid "   A" and resid 103  and name  HD1 ))
      2.708     0.917     0.917 peak  1304 weight  1.00000E+00 volume  1.41941E+06 ppm1      2.631 ppm2      3.637

 ASSI { 2290}
   (( segid "   A" and resid 103  and name  HB1 ))
   (( segid "   A" and resid 103  and name  HB2 ))
      1.990     0.495     0.495 peak  2290 weight  1.00000E+00 volume  8.38175E+06 ppm1      2.208 ppm2      2.373

 ASSI { 2296}
   (( segid "   A" and resid 103  and name  HD2 ))
   (( segid "   A" and resid 103  and name  HB2 ))
      2.776     0.963     0.963 peak  2296 weight  1.00000E+00 volume  1.16082E+06 ppm1      2.379 ppm2      3.506

 ASSI { 2297}
   (( segid "   A" and resid 103  and name  HD2 ))
   (( segid "   A" and resid 103  and name  HB1 ))
      2.903     1.053     1.053 peak  2297 weight  1.00000E+00 volume  9.35420E+05 ppm1      2.196 ppm2      3.504

 ASSI { 2298}
   (( segid "   A" and resid 103  and name  HB2 ))
   (( segid "   A" and resid 103  and name  HA  ))
      2.310     0.667     0.667 peak  2298 weight  1.00000E+00 volume  3.68873E+06 ppm1      2.375 ppm2      4.792

 ASSI { 2299}
   (( segid "   A" and resid 103  and name  HB1 ))
   (( segid "   A" and resid 103  and name  HA  ))
      2.371     0.703     0.703 peak  2299 weight  1.00000E+00 volume  3.14808E+06 ppm1      2.207 ppm2      4.814

 ASSI { 2305}
   (( segid "   A" and resid 103  and name  HD1 ))
   (( segid "   A" and resid 103  and name  HD2 ))
      1.786     0.399     0.399 peak  2305 weight  1.00000E+00 volume  1.68584E+07 ppm1      3.603 ppm2      3.469

 ASSI { 2318}
   (( segid "   A" and resid 103  and name  HG2 ))
   (( segid "   A" and resid 103  and name  HG1 ))
      1.721     0.370     0.370 peak  2318 weight  1.00000E+00 volume  1.28073E+07 ppm1      1.773 ppm2      1.901

 ASSI { 2325}
   (( segid "   A" and resid 103  and name  HB2 ))
   (( segid "   A" and resid 103  and name  HG2 ))
      2.542     0.807     0.807 peak  2325 weight  1.00000E+00 volume  2.07703E+06 ppm1      1.765 ppm2      2.359

 ASSI { 2326}
   (( segid "   A" and resid 103  and name  HD2 ))
   (( segid "   A" and resid 103  and name  HG1 ))
      2.268     0.643     0.643 peak  2326 weight  1.00000E+00 volume  4.11527E+06 ppm1      1.903 ppm2      3.474

 ASSI { 2311}
   (( segid "   A" and resid 103  and name  HD2 ))
   (( segid "   A" and resid 103  and name  HG2 ))
      2.134     0.569     0.569 peak  2311 weight  1.00000E+00 volume  5.92919E+06 ppm1      3.466 ppm2      1.779

 ASSI { 2328}
   (( segid "   A" and resid 103  and name  HD1 ))
   (( segid "   A" and resid 103  and name  HG1 ))
      2.313     0.669     0.669 peak  2328 weight  1.00000E+00 volume  3.65856E+06 ppm1      1.907 ppm2      3.621

 ASSI { 2310}
   (( segid "   A" and resid 103  and name  HD1 ))
   (( segid "   A" and resid 103  and name  HG2 ))
      2.105     0.554     0.554 peak  2310 weight  1.00000E+00 volume  6.43615E+06 ppm1      3.610 ppm2      1.782

 ASSI { 3899}
   (( segid "   A" and resid 103  and name  HB1 ))
   (( segid "   A" and resid 103  and name  HG1 ))
      2.488     0.774     0.774 peak  3899 weight  1.00000E+00 volume  2.35900E+06 ppm1      1.904 ppm2      2.361

 ASSI { 2300}
   (( segid "   A" and resid 103  and name  HB2 ))
   (( segid "   A" and resid 104  and name  HN  ))
      2.825     0.998     0.998 peak  2300 weight  1.00000E+00 volume  1.10082E+06 ppm1      2.378 ppm2      8.665

 ASSI {  562}
   (( segid "   A" and resid 103  and name  HB1 ))
   (( segid "   A" and resid 104  and name  HN  ))
      2.435     0.741     0.741 peak   562 weight  1.00000E+00 volume  1.27652E+08 ppm1      8.677 ppm2      2.188

 ASSI {  564}
   (( segid "   A" and resid 103  and name  HA  ))
   (( segid "   A" and resid 104  and name  HN  ))
      2.281     0.650     0.650 peak   564 weight  1.00000E+00 volume  1.89124E+08 ppm1      8.676 ppm2      4.766

 ASSI { 2754}
   (( segid "   A" and resid 103  and name  HB1 ))
   (( segid "   A" and resid 110  and name  HN  ))
      4.070     2.071     2.071 peak  2754 weight  1.00000E+00 volume  5.86000E+06 ppm1      8.793 ppm2      2.191
 OR { 2754}
   (( segid "   A" and resid 110  and name  HN  ))
   (( segid "   A" and resid 111  and name  HB  ))

 ASSI { 2600}
   (( segid "   A" and resid 103  and name  HB1 ))
   (( segid "   A" and resid 111  and name  HN  ))
      3.487     1.520     1.520 peak  2600 weight  1.00000E+00 volume  1.48100E+07 ppm1      8.446 ppm2      2.389

 ASSI { 2601}
   (( segid "   A" and resid 103  and name  HG1 ))
   (( segid "   A" and resid 111  and name  HN  ))
      2.798     0.979     0.979 peak  2601 weight  1.00000E+00 volume  5.54600E+07 ppm1      8.450 ppm2      1.909

 ASSI { 2610}
   (  segid "   A" and resid 104  and name  HD1#)
   (( segid "   A" and resid 79   and name  HN  ))
      3.131     1.226     1.226 peak  2610 weight  1.00000E+00 volume  2.82600E+07 ppm1     11.646 ppm2      0.623

 ASSI { 1951}
   (( segid "   A" and resid 104  and name  HN  ))
   (( segid "   A" and resid 103  and name  HG2 ))
      3.471     1.506     1.506 peak  1951 weight  1.00000E+00 volume  1.52363E+07 ppm1      8.675 ppm2      1.758

 ASSI { 2072}
   (( segid "   A" and resid 104  and name  HN  ))
   (( segid "   A" and resid 103  and name  HG1 ))
      3.199     1.280     1.280 peak  2072 weight  1.00000E+00 volume  2.48347E+07 ppm1      8.667 ppm2      1.910
 OR { 2072}
   (( segid "   A" and resid 104  and name  HN  ))
   (( segid "   A" and resid 105  and name  HG2 ))

 ASSI { 2720}
   (( segid "   A" and resid 104  and name  HN  ))
   (( segid "   A" and resid 103  and name  HG1 ))
      3.090     1.193     1.193 peak  2720 weight  1.00000E+00 volume  3.06300E+07 ppm1      8.671 ppm2      1.901

 ASSI { 2334}
   (( segid "   A" and resid 104  and name  HA  ))
   (  segid "   A" and resid 104  and name  HD2#)
      2.189     0.599     0.599 peak  2334 weight  1.00000E+00 volume  5.08422E+06 ppm1      4.015 ppm2      0.693

 ASSI {  812}
   (( segid "   A" and resid 104  and name  HN  ))
   (( segid "   A" and resid 104  and name  HA  ))
      2.612     0.853     0.853 peak   812 weight  1.00000E+00 volume  7.55917E+07 ppm1      8.676 ppm2      4.002

 ASSI { 2343}
   (( segid "   A" and resid 104  and name  HB2 ))
   (( segid "   A" and resid 104  and name  HB1 ))
      1.850     0.428     0.428 peak  2343 weight  1.00000E+00 volume  1.32482E+07 ppm1      1.398 ppm2      1.337

 ASSI { 2346}
   (( segid "   A" and resid 104  and name  HB1 ))
   (  segid "   A" and resid 104  and name  HD2#)
      2.072     0.537     0.537 peak  2346 weight  1.00000E+00 volume  7.07339E+06 ppm1      1.335 ppm2      0.709

 ASSI { 2351}
   (( segid "   A" and resid 104  and name  HB2 ))
   (( segid "   A" and resid 104  and name  HA  ))
      2.571     0.826     0.826 peak  2351 weight  1.00000E+00 volume  1.93894E+06 ppm1      1.398 ppm2      4.016

 ASSI { 2352}
   (( segid "   A" and resid 104  and name  HB1 ))
   (( segid "   A" and resid 104  and name  HA  ))
      2.668     0.889     0.889 peak  2352 weight  1.00000E+00 volume  1.55382E+06 ppm1      1.336 ppm2      4.018

 ASSI {  813}
   (( segid "   A" and resid 104  and name  HB1 ))
   (( segid "   A" and resid 104  and name  HN  ))
      2.213     0.612     0.612 peak   813 weight  1.00000E+00 volume  2.26721E+08 ppm1      8.674 ppm2      1.343

 ASSI { 2361}
   (( segid "   A" and resid 104  and name  HB1 ))
   (  segid "   A" and resid 104  and name  HD1#)
      1.961     0.481     0.481 peak  2361 weight  1.00000E+00 volume  9.85065E+06 ppm1      0.625 ppm2      1.340

 ASSI { 2362}
   (  segid "   A" and resid 104  and name  HD1#)
   (( segid "   A" and resid 104  and name  HG  ))
      1.754     0.385     0.385 peak  2362 weight  1.00000E+00 volume  1.92257E+07 ppm1      0.627 ppm2      1.491

 ASSI { 1173}
   (( segid "   A" and resid 104  and name  HB2 ))
   (( segid "   A" and resid 104  and name  HN  ))
      2.150     0.578     0.578 peak  1173 weight  1.00000E+00 volume  2.69578E+08 ppm1      8.672 ppm2      1.408

 ASSI { 3902}
   (( segid "   A" and resid 104  and name  HA  ))
   (( segid "   A" and resid 105  and name  HG2 ))
      2.618     0.857     0.857 peak  3902 weight  1.00000E+00 volume  1.73700E+06 ppm1      4.016 ppm2      1.919

 ASSI { 2726}
   (  segid "   A" and resid 104  and name  HD2#)
   (( segid "   A" and resid 105  and name  HN  ))
      2.236     0.625     0.625 peak  2726 weight  1.00000E+00 volume  2.12900E+08 ppm1      8.314 ppm2      0.712

 ASSI {  567}
   (( segid "   A" and resid 104  and name  HA  ))
   (( segid "   A" and resid 105  and name  HN  ))
      2.063     0.532     0.532 peak   567 weight  1.00000E+00 volume  3.45520E+08 ppm1      8.314 ppm2      4.002

 ASSI { 2213}
   (  segid "   A" and resid 104  and name  HB# )
   (( segid "   A" and resid 105  and name  HN  ))
      2.770     0.959     0.959 peak  2213 weight  1.00000E+00 volume  5.89956E+07 ppm1      8.313 ppm2      1.343

 ASSI { 2728}
   (  segid "   A" and resid 104  and name  HD1#)
   (( segid "   A" and resid 105  and name  HN  ))
      2.673     0.893     0.893 peak  2728 weight  1.00000E+00 volume  7.30500E+07 ppm1      8.314 ppm2      0.611

 ASSI { 2837}
   (( segid "   A" and resid 104  and name  HN  ))
   (( segid "   A" and resid 105  and name  HN  ))
      3.247     1.318     1.318 peak  2837 weight  1.00000E+00 volume  2.27200E+07 ppm1      8.311 ppm2      8.667

 ASSI { 2840}
   (( segid "   A" and resid 104  and name  HB2 ))
   (( segid "   A" and resid 105  and name  HN  ))
      2.770     0.959     0.959 peak  2840 weight  1.00000E+00 volume  5.90000E+07 ppm1      8.313 ppm2      1.343

 ASSI { 2214}
   (  segid "   A" and resid 104  and name  HD2#)
   (( segid "   A" and resid 105  and name  HN  ))
      2.475     0.765     0.765 peak  2214 weight  1.00000E+00 volume  1.15988E+08 ppm1      8.316 ppm2      0.727
 OR { 2214}
   (  segid "   A" and resid 98   and name  HG2#)
   (( segid "   A" and resid 105  and name  HN  ))

 ASSI { 3904}
   (( segid "   A" and resid 104  and name  HB2 ))
   (( segid "   A" and resid 111  and name  HB  ))
      2.615     0.855     0.855 peak  3904 weight  1.00000E+00 volume  1.74900E+06 ppm1      1.393 ppm2      2.156

 ASSI { 3905}
   (( segid "   A" and resid 104  and name  HB1 ))
   (( segid "   A" and resid 111  and name  HB  ))
      2.617     0.856     0.856 peak  3905 weight  1.00000E+00 volume  1.74400E+06 ppm1      1.337 ppm2      2.158

 ASSI { 2071}
   (( segid "   A" and resid 104  and name  HN  ))
   (( segid "   A" and resid 111  and name  HB  ))
      2.658     0.883     0.883 peak  2071 weight  1.00000E+00 volume  7.55028E+07 ppm1      8.672 ppm2      2.188
 OR { 2071}
   (( segid "   A" and resid 103  and name  HB1 ))
   (( segid "   A" and resid 104  and name  HN  ))

 ASSI { 2595}
   (( segid "   A" and resid 104  and name  HN  ))
   (( segid "   A" and resid 111  and name  HN  ))
      2.943     1.082     1.082 peak  2595 weight  1.00000E+00 volume  4.10300E+07 ppm1      8.446 ppm2      8.684

 ASSI { 2604}
   (( segid "   A" and resid 104  and name  HB2 ))
   (( segid "   A" and resid 111  and name  HN  ))
      2.803     0.982     0.982 peak  2604 weight  1.00000E+00 volume  5.49600E+07 ppm1      8.447 ppm2      1.350

 ASSI { 2780}
   (( segid "   A" and resid 104  and name  HN  ))
   (( segid "   A" and resid 111  and name  HB  ))
      2.658     0.883     0.883 peak  2780 weight  1.00000E+00 volume  7.55000E+07 ppm1      8.672 ppm2      2.188

 ASSI { 3978}
   (  segid "   A" and resid 104  and name  HD1#)
   (  segid "   A" and resid 114  and name  HB# )
      2.464     0.759     0.759 peak  3978 weight  1.00000E+00 volume  2.50300E+06 ppm1      1.492 ppm2      0.651

 ASSI { 2296}
   (( segid "   A" and resid 105  and name  HN  ))
   (( segid "   A" and resid 99   and name  HN  ))
      2.883     1.039     1.039 peak  2296 weight  1.00000E+00 volume  4.64300E+07 ppm1      8.314 ppm2      9.080

 ASSI {  566}
   (( segid "   A" and resid 105  and name  HN  ))
   (( segid "   A" and resid 104  and name  HG  ))
      2.256     0.636     0.636 peak   566 weight  1.00000E+00 volume  2.02209E+08 ppm1      8.315 ppm2      1.477

 ASSI { 2379}
   (( segid "   A" and resid 105  and name  HB1 ))
   (( segid "   A" and resid 105  and name  HB2 ))
      2.246     0.631     0.631 peak  2379 weight  1.00000E+00 volume  4.36053E+06 ppm1      1.512 ppm2      0.861

 ASSI { 2382}
   (( segid "   A" and resid 105  and name  HB1 ))
   (( segid "   A" and resid 105  and name  HG2 ))
      2.309     0.666     0.666 peak  2382 weight  1.00000E+00 volume  3.69349E+06 ppm1      1.514 ppm2      1.933

 ASSI { 2383}
   (( segid "   A" and resid 105  and name  HB2 ))
   (( segid "   A" and resid 105  and name  HG2 ))
      2.711     0.918     0.918 peak  2383 weight  1.00000E+00 volume  1.41125E+06 ppm1      0.873 ppm2      1.923

 ASSI { 2385}
   (( segid "   A" and resid 105  and name  HB1 ))
   (  segid "   A" and resid 105  and name  HG# )
      2.261     0.639     0.639 peak  2385 weight  1.00000E+00 volume  4.18551E+06 ppm1      1.944 ppm2      1.500

 ASSI { 2386}
   (( segid "   A" and resid 105  and name  HB2 ))
   (  segid "   A" and resid 105  and name  HG# )
      2.192     0.601     0.601 peak  2386 weight  1.00000E+00 volume  5.04831E+06 ppm1      1.944 ppm2      0.854

 ASSI { 3920}
   (  segid "   A" and resid 105  and name  HG# )
   (( segid "   A" and resid 105  and name  HA  ))
      2.596     0.842     0.842 peak  3920 weight  1.00000E+00 volume  1.83100E+06 ppm1      1.946 ppm2      4.821

 ASSI { 1955}
   (( segid "   A" and resid 105  and name  HN  ))
   (( segid "   A" and resid 105  and name  HA  ))
      2.581     0.832     0.832 peak  1955 weight  1.00000E+00 volume  9.01978E+07 ppm1      8.313 ppm2      4.822

 ASSI { 1961}
   (( segid "   A" and resid 105  and name  HN  ))
   (( segid "   A" and resid 105  and name  HG2 ))
      2.466     0.760     0.760 peak  1961 weight  1.00000E+00 volume  1.18425E+08 ppm1      8.313 ppm2      1.908

 ASSI { 1962}
   (( segid "   A" and resid 105  and name  HN  ))
   (( segid "   A" and resid 111  and name  HB  ))
      3.572     1.595     1.595 peak  1962 weight  1.00000E+00 volume  1.28144E+07 ppm1      8.306 ppm2      2.174

 ASSI { 3928}
   (  segid "   A" and resid 106  and name  HG2#)
   (( segid "   A" and resid 39   and name  HB2 ))
      2.728     0.931     0.931 peak  3928 weight  1.00000E+00 volume  1.35700E+06 ppm1     -0.153 ppm2      3.077

 ASSI { 4295}
   (  segid "   A" and resid 106  and name  HG1#)
   (  segid "   A" and resid 39   and name  HD# )
      2.467     0.760     0.760 peak  4295 weight  1.00000E+00 volume  2.48595E+06 ppm1      0.261 ppm2      7.078

 ASSI { 3828}
   (  segid "   A" and resid 106  and name  HG2#)
   (  segid "   A" and resid 88   and name  HG2#)
      2.966     1.100     1.100 peak  3828 weight  1.00000E+00 volume  8.22200E+05 ppm1      0.691 ppm2     -0.183

 ASSI { 2183}
   (  segid "   A" and resid 106  and name  HG2#)
   (  segid "   A" and resid 96   and name  HG2#)
      1.931     0.466     0.466 peak  2183 weight  1.00000E+00 volume  8.87296E+06 ppm1      0.428 ppm2     -0.144

 ASSI { 2391}
   (( segid "   A" and resid 106  and name  HA  ))
   (  segid "   A" and resid 98   and name  HD1#)
      2.303     0.663     0.663 peak  2391 weight  1.00000E+00 volume  1.71420E+06 ppm1      4.035 ppm2      0.517

 ASSI { 2393}
   (( segid "   A" and resid 106  and name  HA  ))
   (( segid "   A" and resid 98   and name  HA  ))
      2.654     0.881     0.881 peak  2393 weight  1.00000E+00 volume  1.60054E+06 ppm1      4.034 ppm2      4.732

 ASSI { 3907}
   (  segid "   A" and resid 106  and name  HG1#)
   (  segid "   A" and resid 104  and name  HD1#)
      2.326     0.676     0.676 peak  3907 weight  1.00000E+00 volume  3.53600E+06 ppm1      0.621 ppm2      0.273

 ASSI { 1968}
   (  segid "   A" and resid 106  and name  HG1#)
   (( segid "   A" and resid 105  and name  HN  ))
      3.410     1.454     1.454 peak  1968 weight  1.00000E+00 volume  1.69315E+07 ppm1      8.324 ppm2      0.241

 ASSI { 2730}
   (( segid "   A" and resid 106  and name  HN  ))
   (( segid "   A" and resid 105  and name  HA  ))
      2.325     0.675     0.675 peak  2730 weight  1.00000E+00 volume  1.68800E+08 ppm1      8.220 ppm2      4.833

 ASSI {  439}
   (( segid "   A" and resid 106  and name  HA  ))
   (  segid "   A" and resid 106  and name  HG1#)
      2.490     0.775     0.775 peak   439 weight  1.00000E+00 volume  2.34679E+06 ppm1      4.034 ppm2      0.257

 ASSI { 2398}
   (  segid "   A" and resid 106  and name  HG1#)
   (( segid "   A" and resid 106  and name  HB  ))
      1.989     0.495     0.495 peak  2398 weight  1.00000E+00 volume  4.79272E+06 ppm1      1.279 ppm2      0.251

 ASSI { 2400}
   (( segid "   A" and resid 106  and name  HA  ))
   (( segid "   A" and resid 106  and name  HB  ))
      2.914     1.061     1.061 peak  2400 weight  1.00000E+00 volume  9.15156E+05 ppm1      1.277 ppm2      4.051

 ASSI { 2405}
   (  segid "   A" and resid 106  and name  HG1#)
   (  segid "   A" and resid 106  and name  HG2#)
      1.806     0.408     0.408 peak  2405 weight  1.00000E+00 volume  1.61280E+07 ppm1     -0.147 ppm2      0.241

 ASSI { 2399}
   (  segid "   A" and resid 106  and name  HG2#)
   (( segid "   A" and resid 106  and name  HB  ))
      1.998     0.499     0.499 peak  2399 weight  1.00000E+00 volume  3.47223E+06 ppm1      1.277 ppm2     -0.144

 ASSI {  440}
   (( segid "   A" and resid 106  and name  HA  ))
   (  segid "   A" and resid 106  and name  HG2#)
      2.310     0.667     0.667 peak   440 weight  1.00000E+00 volume  1.71364E+06 ppm1      4.033 ppm2     -0.179

 ASSI { 1978}
   (  segid "   A" and resid 106  and name  HG1#)
   (( segid "   A" and resid 106  and name  HN  ))
      2.488     0.773     0.773 peak  1978 weight  1.00000E+00 volume  7.04040E+07 ppm1      8.219 ppm2      0.246

 ASSI {  816}
   (( segid "   A" and resid 106  and name  HA  ))
   (( segid "   A" and resid 106  and name  HN  ))
      2.811     0.988     0.988 peak   816 weight  1.00000E+00 volume  5.39846E+07 ppm1      8.221 ppm2      4.025

 ASSI {  817}
   (( segid "   A" and resid 106  and name  HB  ))
   (( segid "   A" and resid 106  and name  HN  ))
      2.512     0.789     0.789 peak   817 weight  1.00000E+00 volume  1.06088E+08 ppm1      8.220 ppm2      1.260

 ASSI { 2735}
   (  segid "   A" and resid 106  and name  HG2#)
   (( segid "   A" and resid 106  and name  HN  ))
      3.105     1.205     1.205 peak  2735 weight  1.00000E+00 volume  2.97300E+07 ppm1      8.220 ppm2     -0.168

 ASSI {  437}
   (( segid "   A" and resid 106  and name  HA  ))
   (( segid "   A" and resid 107  and name  HN  ))
      2.373     0.704     0.704 peak   437 weight  1.00000E+00 volume  5.21590E+07 ppm1      8.799 ppm2      4.033

 ASSI { 3930}
   (  segid "   A" and resid 106  and name  HG2#)
   (( segid "   A" and resid 107  and name  HN  ))
      2.566     0.823     0.823 peak  3930 weight  1.00000E+00 volume  1.96200E+06 ppm1     -0.143 ppm2      8.798

 ASSI { 3936}
   (  segid "   A" and resid 106  and name  HG1#)
   (( segid "   A" and resid 107  and name  HG1 ))
      2.944     1.084     1.084 peak  3936 weight  1.00000E+00 volume  8.59000E+05 ppm1      0.261 ppm2      1.669

 ASSI {  438}
   (( segid "   A" and resid 106  and name  HB  ))
   (( segid "   A" and resid 107  and name  HN  ))
      3.392     1.438     1.438 peak   438 weight  1.00000E+00 volume  1.74961E+07 ppm1      8.800 ppm2      1.294

 ASSI { 2477}
   (  segid "   A" and resid 106  and name  HG2#)
   (  segid "   A" and resid 109  and name  HB# )
      2.305     0.664     0.664 peak  2477 weight  1.00000E+00 volume  2.43953E+06 ppm1      1.493 ppm2     -0.125

 ASSI { 2478}
   (  segid "   A" and resid 106  and name  HG1#)
   (  segid "   A" and resid 109  and name  HB# )
      2.269     0.643     0.643 peak  2478 weight  1.00000E+00 volume  2.88136E+06 ppm1      1.490 ppm2      0.252

 ASSI { 1969}
   (( segid "   A" and resid 106  and name  HN  ))
   (( segid "   A" and resid 109  and name  HN  ))
      2.842     1.009     1.009 peak  1969 weight  1.00000E+00 volume  3.94901E+07 ppm1      8.220 ppm2      8.701

 ASSI { 2012}
   (  segid "   A" and resid 106  and name  HG1#)
   (( segid "   A" and resid 109  and name  HN  ))
      3.123     1.219     1.219 peak  2012 weight  1.00000E+00 volume  2.87126E+07 ppm1      8.712 ppm2      0.218

 ASSI { 2013}
   (  segid "   A" and resid 106  and name  HG2#)
   (( segid "   A" and resid 109  and name  HN  ))
      3.251     1.321     1.321 peak  2013 weight  1.00000E+00 volume  2.25548E+07 ppm1      8.711 ppm2     -0.184

 ASSI { 2732}
   (( segid "   A" and resid 106  and name  HN  ))
   (  segid "   A" and resid 109  and name  HB# )
      2.525     0.797     0.797 peak  2732 weight  1.00000E+00 volume  1.02900E+08 ppm1      8.219 ppm2      1.478

 ASSI { 2746}
   (( segid "   A" and resid 106  and name  HA  ))
   (( segid "   A" and resid 109  and name  HN  ))
      3.406     1.450     1.450 peak  2746 weight  1.00000E+00 volume  1.70500E+07 ppm1      8.709 ppm2      4.051

 ASSI { 3937}
   (  segid "   A" and resid 106  and name  HG1#)
   (( segid "   A" and resid 111  and name  HB  ))
      2.993     1.120     1.120 peak  3937 weight  1.00000E+00 volume  7.78300E+05 ppm1      0.262 ppm2      2.157

 ASSI { 1764}
   (  segid "   A" and resid 106  and name  HG1#)
   (( segid "   A" and resid 111  and name  HN  ))
      3.298     1.360     1.360 peak  1764 weight  1.00000E+00 volume  2.06919E+07 ppm1      8.452 ppm2      0.244

 ASSI { 2729}
   (( segid "   A" and resid 106  and name  HN  ))
   (( segid "   A" and resid 111  and name  HN  ))
      2.976     1.107     1.107 peak  2729 weight  1.00000E+00 volume  3.83200E+07 ppm1      8.220 ppm2      8.442

 ASSI { 2424}
   (  segid "   A" and resid 106  and name  HG1#)
   (  segid "   A" and resid 126  and name  HG2#)
      2.199     0.605     0.605 peak  2424 weight  1.00000E+00 volume  4.94638E+06 ppm1      0.261 ppm2      0.934

 ASSI { 2846}
   (  segid "   A" and resid 106  and name  HG2#)
   (  segid "   A" and resid 126  and name  HG2#)
      2.380     0.708     0.708 peak  2846 weight  1.00000E+00 volume  1.56080E+06 ppm1      0.915 ppm2     -0.144

 ASSI { 4053}
   (  segid "   A" and resid 106  and name  HG2#)
   (  segid "   A" and resid 126  and name  HD1#)
      2.705     0.915     0.915 peak  4053 weight  1.00000E+00 volume  1.42900E+06 ppm1      1.141 ppm2     -0.131

 ASSI { 2438}
   (( segid "   A" and resid 107  and name  HB1 ))
   (  segid "   A" and resid 96   and name  HG2#)
      2.697     0.910     0.910 peak  2438 weight  1.00000E+00 volume  1.45327E+06 ppm1      1.502 ppm2      0.460

 ASSI { 3884}
   (( segid "   A" and resid 107  and name  HB2 ))
   (  segid "   A" and resid 96   and name  HG2#)
      2.619     0.858     0.858 peak  3884 weight  1.00000E+00 volume  1.73400E+06 ppm1      0.433 ppm2      2.500

 ASSI { 2739}
   (( segid "   A" and resid 107  and name  HN  ))
   (  segid "   A" and resid 97   and name  HG# )
      3.415     1.458     1.458 peak  2739 weight  1.00000E+00 volume  1.68000E+07 ppm1      8.800 ppm2      2.055

 ASSI {  759}
   (( segid "   A" and resid 107  and name  HB2 ))
   (( segid "   A" and resid 107  and name  HG2 ))
      2.820     0.994     0.994 peak   759 weight  1.00000E+00 volume  1.11351E+06 ppm1      2.513 ppm2      1.295

 ASSI {  761}
   (( segid "   A" and resid 107  and name  HB2 ))
   (( segid "   A" and resid 107  and name  HB1 ))
      2.474     0.765     0.765 peak   761 weight  1.00000E+00 volume  2.44318E+06 ppm1      2.515 ppm2      1.725

 ASSI { 2436}
   (( segid "   A" and resid 107  and name  HB1 ))
   (( segid "   A" and resid 107  and name  HG1 ))
      2.492     0.777     0.777 peak  2436 weight  1.00000E+00 volume  2.33482E+06 ppm1      1.501 ppm2      1.731

 ASSI { 2439}
   (( segid "   A" and resid 107  and name  HB2 ))
   (  segid "   A" and resid 107  and name  HD# )
      2.682     0.899     0.899 peak  2439 weight  1.00000E+00 volume  1.50432E+06 ppm1      1.795 ppm2      2.489

 ASSI { 2448}
   (( segid "   A" and resid 107  and name  HG2 ))
   (  segid "   A" and resid 107  and name  HE# )
      2.211     0.611     0.611 peak  2448 weight  1.00000E+00 volume  4.79399E+06 ppm1      3.031 ppm2      1.355

 ASSI { 2449}
   (  segid "   A" and resid 107  and name  HD# )
   (  segid "   A" and resid 107  and name  HE# )
      1.913     0.458     0.458 peak  2449 weight  1.00000E+00 volume  1.14177E+07 ppm1      3.032 ppm2      1.766

 ASSI { 2457}
   (( segid "   A" and resid 107  and name  HG2 ))
   (( segid "   A" and resid 107  and name  HG1 ))
      2.210     0.610     0.610 peak  2457 weight  1.00000E+00 volume  4.80601E+06 ppm1      1.358 ppm2      1.705

 ASSI { 2459}
   (( segid "   A" and resid 107  and name  HB2 ))
   (( segid "   A" and resid 107  and name  HG1 ))
      2.474     0.765     0.765 peak  2459 weight  1.00000E+00 volume  1.78141E+06 ppm1      1.699 ppm2      2.497

 ASSI { 2462}
   (( segid "   A" and resid 107  and name  HG1 ))
   (  segid "   A" and resid 107  and name  HE# )
      2.616     0.856     0.856 peak  2462 weight  1.00000E+00 volume  1.74530E+06 ppm1      1.698 ppm2      2.988

 ASSI { 2463}
   (( segid "   A" and resid 107  and name  HG2 ))
   (( segid "   A" and resid 107  and name  HA  ))
      2.853     1.017     1.017 peak  2463 weight  1.00000E+00 volume  1.03856E+06 ppm1      1.356 ppm2      3.659

 ASSI { 4124}
   (( segid "   A" and resid 107  and name  HB1 ))
   (( segid "   A" and resid 107  and name  HG2 ))
      2.329     0.678     0.678 peak  4124 weight  1.00000E+00 volume  3.51100E+06 ppm1      1.459 ppm2      1.776
 OR { 4124}
   (( segid "   A" and resid 107  and name  HG2 ))
   (  segid "   A" and resid 107  and name  HD# )

 ASSI {  821}
   (( segid "   A" and resid 107  and name  HN  ))
   (( segid "   A" and resid 107  and name  HA  ))
      2.980     1.110     1.110 peak   821 weight  1.00000E+00 volume  3.80709E+07 ppm1      8.804 ppm2      3.638

 ASSI { 3942}
   (( segid "   A" and resid 107  and name  HG1 ))
   (( segid "   A" and resid 108  and name  HN  ))
      2.620     0.858     0.858 peak  3942 weight  1.00000E+00 volume  1.73000E+06 ppm1      1.700 ppm2      8.918

 ASSI { 1984}
   (  segid "   A" and resid 107  and name  HE# )
   (( segid "   A" and resid 108  and name  HN  ))
      2.905     1.055     1.055 peak  1984 weight  1.00000E+00 volume  2.31901E+07 ppm1      8.943 ppm2      3.020

 ASSI {  820}
   (( segid "   A" and resid 107  and name  HA  ))
   (( segid "   A" and resid 108  and name  HN  ))
      3.278     1.343     1.343 peak   820 weight  1.00000E+00 volume  2.14643E+07 ppm1      8.935 ppm2      3.643

 ASSI { 2742}
   (( segid "   A" and resid 107  and name  HB1 ))
   (( segid "   A" and resid 108  and name  HN  ))
      2.719     0.924     0.924 peak  2742 weight  1.00000E+00 volume  6.59100E+07 ppm1      8.947 ppm2      2.484

 ASSI { 2743}
   (( segid "   A" and resid 107  and name  HG2 ))
   (( segid "   A" and resid 108  and name  HN  ))
      2.702     0.913     0.913 peak  2743 weight  1.00000E+00 volume  6.84600E+07 ppm1      8.944 ppm2      1.701

 ASSI { 2747}
   (( segid "   A" and resid 107  and name  HG2 ))
   (( segid "   A" and resid 109  and name  HN  ))
      3.019     1.139     1.139 peak  2747 weight  1.00000E+00 volume  3.51900E+07 ppm1      8.710 ppm2      1.736

 ASSI { 2467}
   (( segid "   A" and resid 108  and name  HB2 ))
   (( segid "   A" and resid 108  and name  HB1 ))
      2.041     0.521     0.521 peak  2467 weight  1.00000E+00 volume  6.43399E+06 ppm1      2.638 ppm2      3.058

 ASSI { 2471}
   (( segid "   A" and resid 108  and name  HB1 ))
   (( segid "   A" and resid 108  and name  HA  ))
      2.269     0.644     0.644 peak  2471 weight  1.00000E+00 volume  4.10114E+06 ppm1      3.065 ppm2      4.715

 ASSI { 2472}
   (( segid "   A" and resid 108  and name  HB2 ))
   (( segid "   A" and resid 108  and name  HA  ))
      2.341     0.685     0.685 peak  2472 weight  1.00000E+00 volume  3.40151E+06 ppm1      2.638 ppm2      4.721

 ASSI { 1996}
   (( segid "   A" and resid 108  and name  HB1 ))
   (( segid "   A" and resid 108  and name  HD22))
      2.846     1.013     1.013 peak  1996 weight  1.00000E+00 volume  5.01038E+07 ppm1      7.156 ppm2      3.048

 ASSI { 2475}
   (( segid "   A" and resid 108  and name  HB2 ))
   (( segid "   A" and resid 108  and name  HD21))
      2.783     0.968     0.968 peak  2475 weight  1.00000E+00 volume  1.20579E+06 ppm1      2.643 ppm2      7.617

 ASSI {  823}
   (( segid "   A" and resid 108  and name  HB2 ))
   (( segid "   A" and resid 108  and name  HN  ))
      3.150     1.241     1.241 peak   823 weight  1.00000E+00 volume  2.72528E+07 ppm1      8.936 ppm2      2.629

 ASSI {  824}
   (( segid "   A" and resid 108  and name  HB1 ))
   (( segid "   A" and resid 108  and name  HN  ))
      3.101     1.202     1.202 peak   824 weight  1.00000E+00 volume  2.99842E+07 ppm1      8.947 ppm2      3.030

 ASSI { 1207}
   (( segid "   A" and resid 108  and name  HB1 ))
   (( segid "   A" and resid 108  and name  HD21))
      2.592     0.840     0.840 peak  1207 weight  1.00000E+00 volume  8.58892E+07 ppm1      7.639 ppm2      3.048

 ASSI { 1990}
   (( segid "   A" and resid 108  and name  HD22))
   (( segid "   A" and resid 108  and name  HD21))
      2.176     0.592     0.592 peak  1990 weight  1.00000E+00 volume  2.20039E+08 ppm1      7.156 ppm2      7.636

 ASSI { 1994}
   (( segid "   A" and resid 108  and name  HB2 ))
   (( segid "   A" and resid 108  and name  HD22))
      2.957     1.093     1.093 peak  1994 weight  1.00000E+00 volume  3.98829E+07 ppm1      7.154 ppm2      2.616

 ASSI {  570}
   (( segid "   A" and resid 108  and name  HA  ))
   (( segid "   A" and resid 109  and name  HN  ))
      2.549     0.812     0.812 peak   570 weight  1.00000E+00 volume  9.71167E+07 ppm1      8.710 ppm2      4.692

 ASSI {   92}
   (( segid "   A" and resid 109  and name  HN  ))
   (( segid "   A" and resid 108  and name  HN  ))
      2.474     0.765     0.765 peak    92 weight  1.00000E+00 volume  6.26779E+07 ppm1      8.933 ppm2      8.724

 ASSI {  827}
   (  segid "   A" and resid 109  and name  HB# )
   (( segid "   A" and resid 108  and name  HN  ))
      2.791     0.974     0.974 peak   827 weight  1.00000E+00 volume  5.63920E+07 ppm1      8.945 ppm2      1.477

 ASSI { 2486}
   (  segid "   A" and resid 109  and name  HB# )
   (( segid "   A" and resid 109  and name  HA  ))
      2.113     0.558     0.558 peak  2486 weight  1.00000E+00 volume  6.28730E+06 ppm1      1.491 ppm2      4.585

 ASSI {  826}
   (  segid "   A" and resid 109  and name  HB# )
   (( segid "   A" and resid 109  and name  HN  ))
      2.060     0.530     0.530 peak   826 weight  1.00000E+00 volume  3.48866E+08 ppm1      8.710 ppm2      1.478

 ASSI {  825}
   (( segid "   A" and resid 109  and name  HA  ))
   (( segid "   A" and resid 109  and name  HN  ))
      2.308     0.666     0.666 peak   825 weight  1.00000E+00 volume  1.76187E+08 ppm1      8.712 ppm2      4.577

 ASSI {  445}
   (  segid "   A" and resid 109  and name  HB# )
   (( segid "   A" and resid 110  and name  HN  ))
      2.282     0.651     0.651 peak   445 weight  1.00000E+00 volume  1.56903E+08 ppm1      8.793 ppm2      1.477

 ASSI {  446}
   (( segid "   A" and resid 109  and name  HA  ))
   (( segid "   A" and resid 110  and name  HN  ))
      2.133     0.569     0.569 peak   446 weight  1.00000E+00 volume  2.82853E+08 ppm1      8.793 ppm2      4.573

 ASSI { 2883}
   (  segid "   A" and resid 109  and name  HB# )
   (( segid "   A" and resid 128  and name  HB  ))
      2.177     0.592     0.592 peak  2883 weight  1.00000E+00 volume  4.92875E+06 ppm1      3.587 ppm2      1.498

 ASSI { 2745}
   (( segid "   A" and resid 109  and name  HN  ))
   (( segid "   A" and resid 128  and name  HB  ))
      3.072     1.180     1.180 peak  2745 weight  1.00000E+00 volume  3.16900E+07 ppm1      8.712 ppm2      3.570

 ASSI { 2321}
   (  segid "   A" and resid 110  and name  HG2#)
   (( segid "   A" and resid 103  and name  HG2 ))
      2.115     0.559     0.559 peak  2321 weight  1.00000E+00 volume  2.66865E+06 ppm1      1.777 ppm2      1.038

 ASSI { 2320}
   (  segid "   A" and resid 110  and name  HG2#)
   (( segid "   A" and resid 103  and name  HG1 ))
      2.015     0.507     0.507 peak  2320 weight  1.00000E+00 volume  1.90620E+06 ppm1      1.906 ppm2      1.045

 ASSI { 2295}
   (  segid "   A" and resid 110  and name  HG2#)
   (( segid "   A" and resid 103  and name  HB1 ))
      2.296     0.659     0.659 peak  2295 weight  1.00000E+00 volume  3.07397E+06 ppm1      2.203 ppm2      1.022

 ASSI { 3918}
   (  segid "   A" and resid 110  and name  HG2#)
   (  segid "   A" and resid 105  and name  HG# )
      2.441     0.745     0.745 peak  3918 weight  1.00000E+00 volume  2.64900E+06 ppm1      1.951 ppm2      1.068

 ASSI { 3919}
   (( segid "   A" and resid 110  and name  HA  ))
   (  segid "   A" and resid 105  and name  HG# )
      2.665     0.888     0.888 peak  3919 weight  1.00000E+00 volume  1.56400E+06 ppm1      1.943 ppm2      4.580

 ASSI { 2725}
   (  segid "   A" and resid 110  and name  HG2#)
   (( segid "   A" and resid 105  and name  HN  ))
      3.641     1.657     1.657 peak  2725 weight  1.00000E+00 volume  1.14300E+07 ppm1      8.318 ppm2      1.068

 ASSI { 2671}
   (( segid "   A" and resid 110  and name  HA  ))
   (( segid "   A" and resid 106  and name  HN  ))
      2.692     0.906     0.906 peak  2671 weight  1.00000E+00 volume  2.34700E+07 ppm1      8.270 ppm2      4.582

 ASSI {  889}
   (  segid "   A" and resid 110  and name  HG2#)
   (( segid "   A" and resid 110  and name  HA  ))
      2.010     0.505     0.505 peak   889 weight  1.00000E+00 volume  8.47846E+06 ppm1      1.050 ppm2      4.596

 ASSI { 2500}
   (( segid "   A" and resid 110  and name  HA  ))
   (( segid "   A" and resid 110  and name  HB  ))
      2.449     0.750     0.750 peak  2500 weight  1.00000E+00 volume  2.59687E+06 ppm1      3.809 ppm2      4.582

 ASSI {  829}
   (( segid "   A" and resid 110  and name  HN  ))
   (( segid "   A" and resid 110  and name  HB  ))
      2.332     0.680     0.680 peak   829 weight  1.00000E+00 volume  1.32517E+08 ppm1      8.794 ppm2      3.783

 ASSI { 2496}
   (  segid "   A" and resid 110  and name  HG2#)
   (( segid "   A" and resid 110  and name  HB  ))
      1.941     0.471     0.471 peak  2496 weight  1.00000E+00 volume  5.83676E+06 ppm1      3.804 ppm2      1.049

 ASSI {  828}
   (( segid "   A" and resid 110  and name  HA  ))
   (( segid "   A" and resid 110  and name  HN  ))
      2.210     0.611     0.611 peak   828 weight  1.00000E+00 volume  2.28426E+08 ppm1      8.796 ppm2      4.579

 ASSI { 3957}
   (  segid "   A" and resid 110  and name  HG2#)
   (( segid "   A" and resid 111  and name  HN  ))
      2.184     0.596     0.596 peak  3957 weight  1.00000E+00 volume  5.15800E+06 ppm1      1.051 ppm2      8.453

 ASSI {  174}
   (( segid "   A" and resid 110  and name  HN  ))
   (( segid "   A" and resid 111  and name  HN  ))
      3.029     1.147     1.147 peak   174 weight  1.00000E+00 volume  2.75191E+07 ppm1      8.793 ppm2      8.443

 ASSI {  527}
   (( segid "   A" and resid 110  and name  HB  ))
   (( segid "   A" and resid 111  and name  HN  ))
      2.889     1.043     1.043 peak   527 weight  1.00000E+00 volume  4.58013E+07 ppm1      8.450 ppm2      3.782

 ASSI {  528}
   (( segid "   A" and resid 110  and name  HA  ))
   (( segid "   A" and resid 111  and name  HN  ))
      2.227     0.620     0.620 peak   528 weight  1.00000E+00 volume  2.18199E+08 ppm1      8.449 ppm2      4.577

 ASSI { 2019}
   (( segid "   A" and resid 110  and name  HN  ))
   (( segid "   A" and resid 127  and name  HB2 ))
      3.433     1.473     1.473 peak  2019 weight  1.00000E+00 volume  1.62806E+07 ppm1      8.794 ppm2      2.439

 ASSI { 2753}
   (( segid "   A" and resid 110  and name  HN  ))
   (( segid "   A" and resid 127  and name  HB1 ))
      3.433     1.473     1.473 peak  2753 weight  1.00000E+00 volume  1.62800E+07 ppm1      8.794 ppm2      2.439

 ASSI { 2018}
   (( segid "   A" and resid 110  and name  HN  ))
   (( segid "   A" and resid 128  and name  HB  ))
      2.882     1.038     1.038 peak  2018 weight  1.00000E+00 volume  4.64924E+07 ppm1      8.793 ppm2      3.570

 ASSI { 1391}
   (  segid "   A" and resid 111  and name  HG# )
   (( segid "   A" and resid 104  and name  HB2 ))
      1.780     0.396     0.396 peak  1391 weight  1.00000E+00 volume  1.76165E+07 ppm1      0.898 ppm2      1.346
 OR { 1391}
   (  segid "   A" and resid 20   and name  HB# )
   (  segid "   A" and resid 64   and name  HD1#)

 ASSI { 2598}
   (( segid "   A" and resid 111  and name  HN  ))
   (( segid "   A" and resid 105  and name  HA  ))
      2.718     0.923     0.923 peak  2598 weight  1.00000E+00 volume  6.60900E+07 ppm1      8.450 ppm2      4.842

 ASSI { 2733}
   (  segid "   A" and resid 111  and name  HG1#)
   (( segid "   A" and resid 106  and name  HN  ))
      2.820     0.994     0.994 peak  2733 weight  1.00000E+00 volume  5.29400E+07 ppm1      8.220 ppm2      0.748

 ASSI { 1583}
   (  segid "   A" and resid 111  and name  HG1#)
   (( segid "   A" and resid 111  and name  HA  ))
      1.808     0.409     0.409 peak  1583 weight  1.00000E+00 volume  1.60342E+07 ppm1      0.865 ppm2      4.355

 ASSI { 2524}
   (( segid "   A" and resid 111  and name  HA  ))
   (( segid "   A" and resid 111  and name  HB  ))
      2.488     0.774     0.774 peak  2524 weight  1.00000E+00 volume  2.35884E+06 ppm1      2.136 ppm2      4.342

 ASSI { 2530}
   (  segid "   A" and resid 111  and name  HG2#)
   (( segid "   A" and resid 111  and name  HB  ))
      2.029     0.514     0.514 peak  2530 weight  1.00000E+00 volume  8.03157E+06 ppm1      0.731 ppm2      2.156

 ASSI { 2533}
   (  segid "   A" and resid 111  and name  HG2#)
   (( segid "   A" and resid 111  and name  HA  ))
      2.189     0.599     0.599 peak  2533 weight  1.00000E+00 volume  5.08249E+06 ppm1      0.732 ppm2      4.350

 ASSI {  830}
   (( segid "   A" and resid 111  and name  HA  ))
   (( segid "   A" and resid 111  and name  HN  ))
      2.766     0.956     0.956 peak   830 weight  1.00000E+00 volume  5.94788E+07 ppm1      8.449 ppm2      4.341

 ASSI {  831}
   (( segid "   A" and resid 111  and name  HB  ))
   (( segid "   A" and resid 111  and name  HN  ))
      2.299     0.661     0.661 peak   831 weight  1.00000E+00 volume  1.80222E+08 ppm1      8.449 ppm2      2.157

 ASSI {  571}
   (( segid "   A" and resid 111  and name  HA  ))
   (( segid "   A" and resid 112  and name  HN  ))
      2.383     0.710     0.710 peak   571 weight  1.00000E+00 volume  1.45470E+08 ppm1      9.284 ppm2      4.352

 ASSI {  572}
   (( segid "   A" and resid 111  and name  HB  ))
   (( segid "   A" and resid 112  and name  HN  ))
      3.082     1.187     1.187 peak   572 weight  1.00000E+00 volume  3.10989E+07 ppm1      9.283 ppm2      2.174

 ASSI { 1604}
   (  segid "   A" and resid 111  and name  HG# )
   (( segid "   A" and resid 124  and name  HA  ))
      2.702     0.913     0.913 peak  1604 weight  1.00000E+00 volume  1.43815E+06 ppm1      0.874 ppm2      5.537

 ASSI { 2817}
   (( segid "   A" and resid 111  and name  HA  ))
   (( segid "   A" and resid 125  and name  HN  ))
      3.381     1.429     1.429 peak  2817 weight  1.00000E+00 volume  1.78300E+07 ppm1      9.515 ppm2      4.354

 ASSI { 3220}
   (( segid "   A" and resid 111  and name  HA  ))
   (  segid "   A" and resid 126  and name  HG2#)
      2.211     0.611     0.611 peak  3220 weight  1.00000E+00 volume  4.78752E+06 ppm1      4.350 ppm2      0.908
 OR { 3220}
   (  segid "   A" and resid 111  and name  HG1#)
   (( segid "   A" and resid 111  and name  HA  ))

 ASSI { 4050}
   (( segid "   A" and resid 111  and name  HA  ))
   (( segid "   A" and resid 126  and name  HA  ))
      2.447     0.748     0.748 peak  4050 weight  1.00000E+00 volume  2.60800E+06 ppm1      5.622 ppm2      4.343

 ASSI { 4068}
   (( segid "   A" and resid 111  and name  HA  ))
   (  segid "   A" and resid 126  and name  HG2#)
      2.257     0.637     0.637 peak  4068 weight  1.00000E+00 volume  4.23200E+06 ppm1      0.915 ppm2      4.353

 ASSI { 2821}
   (( segid "   A" and resid 111  and name  HA  ))
   (( segid "   A" and resid 126  and name  HN  ))
      3.515     1.544     1.544 peak  2821 weight  1.00000E+00 volume  1.41300E+07 ppm1      8.608 ppm2      4.338

 ASSI { 2463}
   (  segid "   A" and resid 112  and name  HD1#)
   (( segid "   A" and resid 42   and name  HD22))
      2.719     0.924     0.924 peak  2463 weight  1.00000E+00 volume  6.59600E+07 ppm1      7.455 ppm2      0.842

 ASSI { 2464}
   (  segid "   A" and resid 112  and name  HD1#)
   (( segid "   A" and resid 42   and name  HD21))
      2.489     0.774     0.774 peak  2464 weight  1.00000E+00 volume  1.12000E+08 ppm1      6.839 ppm2      0.841

 ASSI { 3948}
   (  segid "   A" and resid 112  and name  HD1#)
   (( segid "   A" and resid 110  and name  HB  ))
      2.686     0.902     0.902 peak  3948 weight  1.00000E+00 volume  1.49200E+06 ppm1      3.806 ppm2      0.869

 ASSI {  395}
   (( segid "   A" and resid 112  and name  HN  ))
   (( segid "   A" and resid 111  and name  HN  ))
      3.334     1.389     1.389 peak   395 weight  1.00000E+00 volume  1.06703E+07 ppm1      9.286 ppm2      8.440

 ASSI { 2549}
   (( segid "   A" and resid 112  and name  HB2 ))
   (( segid "   A" and resid 112  and name  HB1 ))
      1.787     0.399     0.399 peak  2549 weight  1.00000E+00 volume  1.72184E+07 ppm1      1.463 ppm2      1.560

 ASSI { 1373}
   (  segid "   A" and resid 112  and name  HD1#)
   (( segid "   A" and resid 112  and name  HB2 ))
      1.711     0.366     0.366 peak  1373 weight  1.00000E+00 volume  2.23133E+07 ppm1      0.856 ppm2      1.552

 ASSI { 2553}
   (( segid "   A" and resid 112  and name  HB2 ))
   (( segid "   A" and resid 112  and name  HA  ))
      2.460     0.756     0.756 peak  2553 weight  1.00000E+00 volume  2.52777E+06 ppm1      1.558 ppm2      4.336

 ASSI { 2554}
   (( segid "   A" and resid 112  and name  HB1 ))
   (( segid "   A" and resid 112  and name  HA  ))
      2.502     0.783     0.783 peak  2554 weight  1.00000E+00 volume  2.28069E+06 ppm1      1.456 ppm2      4.338

 ASSI { 3967}
   (  segid "   A" and resid 112  and name  HD1#)
   (( segid "   A" and resid 112  and name  HA  ))
      2.331     0.679     0.679 peak  3967 weight  1.00000E+00 volume  3.48700E+06 ppm1      0.858 ppm2      4.353

 ASSI {  832}
   (( segid "   A" and resid 112  and name  HA  ))
   (( segid "   A" and resid 112  and name  HN  ))
      2.383     0.710     0.710 peak   832 weight  1.00000E+00 volume  1.45470E+08 ppm1      9.281 ppm2      4.336

 ASSI {  833}
   (( segid "   A" and resid 112  and name  HB2 ))
   (( segid "   A" and resid 112  and name  HN  ))
      2.550     0.813     0.813 peak   833 weight  1.00000E+00 volume  9.68456E+07 ppm1      9.284 ppm2      1.539

 ASSI { 2032}
   (  segid "   A" and resid 112  and name  HD1#)
   (( segid "   A" and resid 112  and name  HN  ))
      2.502     0.783     0.783 peak  2032 weight  1.00000E+00 volume  1.08494E+08 ppm1      9.285 ppm2      0.859

 ASSI {  837}
   (( segid "   A" and resid 112  and name  HN  ))
   (( segid "   A" and resid 113  and name  HA  ))
      3.371     1.420     1.420 peak   837 weight  1.00000E+00 volume  1.81657E+07 ppm1      9.282 ppm2      4.558

 ASSI { 4031}
   (( segid "   A" and resid 112  and name  HN  ))
   (( segid "   A" and resid 125  and name  HB  ))
      2.734     0.934     0.934 peak  4031 weight  1.00000E+00 volume  1.34100E+06 ppm1      2.217 ppm2      9.301

 ASSI { 4037}
   (  segid "   A" and resid 112  and name  HD1#)
   (  segid "   A" and resid 125  and name  HG2#)
      2.139     0.572     0.572 peak  4037 weight  1.00000E+00 volume  5.84900E+06 ppm1      1.383 ppm2      0.855

 ASSI { 4039}
   (( segid "   A" and resid 112  and name  HB2 ))
   (  segid "   A" and resid 125  and name  HG2#)
      1.801     0.406     0.406 peak  4039 weight  1.00000E+00 volume  1.63900E+07 ppm1      1.384 ppm2      1.520

 ASSI { 2814}
   (( segid "   A" and resid 112  and name  HN  ))
   (( segid "   A" and resid 125  and name  HN  ))
      3.287     1.350     1.350 peak  2814 weight  1.00000E+00 volume  2.11300E+07 ppm1      9.511 ppm2      9.281

 ASSI { 3965}
   (  segid "   A" and resid 112  and name  HD1#)
   (( segid "   A" and resid 127  and name  HB1 ))
      2.170     0.589     0.589 peak  3965 weight  1.00000E+00 volume  5.35600E+06 ppm1      0.858 ppm2      2.476

 ASSI { 3968}
   (  segid "   A" and resid 112  and name  HD1#)
   (( segid "   A" and resid 127  and name  HA  ))
      2.179     0.593     0.593 peak  3968 weight  1.00000E+00 volume  5.23500E+06 ppm1      0.858 ppm2      4.562

 ASSI {  978}
   (  segid "   A" and resid 112  and name  HD1#)
   (( segid "   A" and resid 127  and name  HN  ))
      2.260     0.638     0.638 peak   978 weight  1.00000E+00 volume  1.99965E+08 ppm1      8.077 ppm2      0.866

 ASSI { 2766}
   (( segid "   A" and resid 113  and name  HN  ))
   (  segid "   A" and resid 111  and name  HG2#)
      2.292     0.657     0.657 peak  2766 weight  1.00000E+00 volume  1.83800E+08 ppm1      7.275 ppm2      0.949

 ASSI { 2555}
   (( segid "   A" and resid 113  and name  HN  ))
   (( segid "   A" and resid 112  and name  HB1 ))
      2.793     0.975     0.975 peak  2555 weight  1.00000E+00 volume  1.18030E+06 ppm1      1.462 ppm2      7.249

 ASSI { 3970}
   (( segid "   A" and resid 113  and name  HN  ))
   (  segid "   A" and resid 112  and name  HD1#)
      2.609     0.851     0.851 peak  3970 weight  1.00000E+00 volume  1.77700E+06 ppm1      0.856 ppm2      7.277

 ASSI {   15}
   (( segid "   A" and resid 113  and name  HN  ))
   (( segid "   A" and resid 112  and name  HN  ))
      2.447     0.749     0.749 peak    15 weight  1.00000E+00 volume  6.86466E+07 ppm1      9.283 ppm2      7.277

 ASSI {  573}
   (( segid "   A" and resid 113  and name  HN  ))
   (( segid "   A" and resid 112  and name  HB2 ))
      2.402     0.721     0.721 peak   573 weight  1.00000E+00 volume  1.38668E+08 ppm1      7.275 ppm2      1.518

 ASSI {  835}
   (  segid "   A" and resid 113  and name  HB# )
   (( segid "   A" and resid 113  and name  HN  ))
      2.150     0.578     0.578 peak   835 weight  1.00000E+00 volume  2.70000E+08 ppm1      7.275 ppm2      1.391

 ASSI { 2572}
   (  segid "   A" and resid 113  and name  HB# )
   (( segid "   A" and resid 113  and name  HA  ))
      1.891     0.447     0.447 peak  2572 weight  1.00000E+00 volume  1.22434E+07 ppm1      1.409 ppm2      4.562

 ASSI {  834}
   (( segid "   A" and resid 113  and name  HN  ))
   (( segid "   A" and resid 113  and name  HA  ))
      2.598     0.843     0.843 peak   834 weight  1.00000E+00 volume  8.67060E+07 ppm1      7.274 ppm2      4.541

 ASSI {   19}
   (( segid "   A" and resid 113  and name  HN  ))
   (( segid "   A" and resid 114  and name  HN  ))
      2.897     1.049     1.049 peak    19 weight  1.00000E+00 volume  4.50756E+07 ppm1      7.275 ppm2      8.697

 ASSI {  575}
   (( segid "   A" and resid 113  and name  HA  ))
   (( segid "   A" and resid 114  and name  HN  ))
      1.949     0.475     0.475 peak   575 weight  1.00000E+00 volume  4.86712E+08 ppm1      8.708 ppm2      4.544

 ASSI {  841}
   (( segid "   A" and resid 113  and name  HN  ))
   (( segid "   A" and resid 114  and name  HA  ))
      3.324     1.381     1.381 peak   841 weight  1.00000E+00 volume  1.97428E+07 ppm1      7.275 ppm2      5.444

 ASSI { 3972}
   (  segid "   A" and resid 113  and name  HB# )
   (  segid "   A" and resid 116  and name  HD1#)
      1.971     0.486     0.486 peak  3972 weight  1.00000E+00 volume  9.54200E+06 ppm1      1.408 ppm2      0.783

 ASSI { 3974}
   (  segid "   A" and resid 113  and name  HB# )
   (( segid "   A" and resid 125  and name  HB  ))
      2.064     0.532     0.532 peak  3974 weight  1.00000E+00 volume  7.24900E+06 ppm1      1.408 ppm2      2.205

 ASSI {   18}
   (( segid "   A" and resid 113  and name  HN  ))
   (( segid "   A" and resid 125  and name  HN  ))
      2.671     0.892     0.892 peak    18 weight  1.00000E+00 volume  6.49161E+07 ppm1      7.274 ppm2      9.513

 ASSI { 2038}
   (( segid "   A" and resid 113  and name  HN  ))
   (  segid "   A" and resid 125  and name  HG1#)
      2.692     0.906     0.906 peak  2038 weight  1.00000E+00 volume  7.00551E+07 ppm1      7.275 ppm2      1.265

 ASSI { 2152}
   (( segid "   A" and resid 113  and name  HA  ))
   (( segid "   A" and resid 125  and name  HN  ))
      3.446     1.484     1.484 peak  2152 weight  1.00000E+00 volume  1.59194E+07 ppm1      9.512 ppm2      4.550

 ASSI { 2763}
   (( segid "   A" and resid 113  and name  HN  ))
   (( segid "   A" and resid 125  and name  HA  ))
      3.474     1.508     1.508 peak  2763 weight  1.00000E+00 volume  1.51600E+07 ppm1      7.272 ppm2      4.819

 ASSI { 2765}
   (( segid "   A" and resid 113  and name  HN  ))
   (( segid "   A" and resid 125  and name  HB  ))
      2.436     0.742     0.742 peak  2765 weight  1.00000E+00 volume  1.27600E+08 ppm1      7.275 ppm2      2.193

 ASSI { 2575}
   (( segid "   A" and resid 114  and name  HA  ))
   (  segid "   A" and resid 114  and name  HB# )
      1.976     0.488     0.488 peak  2575 weight  1.00000E+00 volume  5.90325E+06 ppm1      5.461 ppm2      1.470

 ASSI { 2591}
   (  segid "   A" and resid 114  and name  HB# )
   (( segid "   A" and resid 114  and name  HN  ))
      1.934     0.467     0.467 peak  2591 weight  1.00000E+00 volume  1.07106E+07 ppm1      1.492 ppm2      8.686

 ASSI {  838}
   (( segid "   A" and resid 114  and name  HA  ))
   (( segid "   A" and resid 114  and name  HN  ))
      2.612     0.853     0.853 peak   838 weight  1.00000E+00 volume  8.38477E+07 ppm1      8.707 ppm2      5.424

 ASSI {   22}
   (( segid "   A" and resid 114  and name  HN  ))
   (( segid "   A" and resid 115  and name  HN  ))
      3.172     1.257     1.257 peak    22 weight  1.00000E+00 volume  2.61697E+07 ppm1      8.703 ppm2      9.727

 ASSI {  577}
   (  segid "   A" and resid 114  and name  HB# )
   (( segid "   A" and resid 115  and name  HN  ))
      2.282     0.651     0.651 peak   577 weight  1.00000E+00 volume  1.64568E+08 ppm1      9.721 ppm2      1.469

 ASSI {  578}
   (( segid "   A" and resid 114  and name  HA  ))
   (( segid "   A" and resid 115  and name  HN  ))
      2.358     0.695     0.695 peak   578 weight  1.00000E+00 volume  1.54873E+08 ppm1      9.722 ppm2      5.421

 ASSI { 2046}
   (( segid "   A" and resid 114  and name  HN  ))
   (( segid "   A" and resid 115  and name  HB1 ))
      3.115     1.213     1.213 peak  2046 weight  1.00000E+00 volume  2.91805E+07 ppm1      8.711 ppm2      3.015

 ASSI { 3976}
   (( segid "   A" and resid 114  and name  HA  ))
   (( segid "   A" and resid 116  and name  HG11))
      2.585     0.835     0.835 peak  3976 weight  1.00000E+00 volume  1.87700E+06 ppm1      5.453 ppm2      0.978

 ASSI { 2771}
   (( segid "   A" and resid 114  and name  HN  ))
   (  segid "   A" and resid 116  and name  HD1#)
      3.034     1.151     1.151 peak  2771 weight  1.00000E+00 volume  3.41200E+07 ppm1      8.705 ppm2      0.754

 ASSI { 2778}
   (( segid "   A" and resid 114  and name  HA  ))
   (( segid "   A" and resid 116  and name  HN  ))
      3.080     1.186     1.186 peak  2778 weight  1.00000E+00 volume  3.11900E+07 ppm1      8.669 ppm2      5.412

 ASSI { 2815}
   (( segid "   A" and resid 114  and name  HA  ))
   (( segid "   A" and resid 125  and name  HN  ))
      2.840     1.008     1.008 peak  2815 weight  1.00000E+00 volume  5.08000E+07 ppm1      9.512 ppm2      5.429

 ASSI {  768}
   (( segid "   A" and resid 115  and name  HA  ))
   (( segid "   A" and resid 79   and name  HN  ))
      3.417     1.460     1.460 peak   768 weight  1.00000E+00 volume  1.67211E+07 ppm1     11.655 ppm2      3.904

 ASSI { 2596}
   (( segid "   A" and resid 115  and name  HA  ))
   (( segid "   A" and resid 115  and name  HB1 ))
      2.410     0.726     0.726 peak  2596 weight  1.00000E+00 volume  2.85462E+06 ppm1      3.901 ppm2      3.040

 ASSI { 2603}
   (( segid "   A" and resid 115  and name  HB1 ))
   (( segid "   A" and resid 115  and name  HB2 ))
      1.957     0.479     0.479 peak  2603 weight  1.00000E+00 volume  9.97710E+06 ppm1      3.047 ppm2      2.906

 ASSI { 2597}
   (( segid "   A" and resid 115  and name  HA  ))
   (( segid "   A" and resid 115  and name  HB2 ))
      2.378     0.707     0.707 peak  2597 weight  1.00000E+00 volume  3.09280E+06 ppm1      3.904 ppm2      2.898

 ASSI {  845}
   (( segid "   A" and resid 115  and name  HA  ))
   (( segid "   A" and resid 115  and name  HN  ))
      2.258     0.637     0.637 peak   845 weight  1.00000E+00 volume  1.49579E+08 ppm1      9.721 ppm2      3.888

 ASSI {  846}
   (( segid "   A" and resid 115  and name  HB2 ))
   (( segid "   A" and resid 115  and name  HN  ))
      2.923     1.068     1.068 peak   846 weight  1.00000E+00 volume  4.26711E+07 ppm1      9.723 ppm2      2.903

 ASSI {  847}
   (( segid "   A" and resid 115  and name  HB1 ))
   (( segid "   A" and resid 115  and name  HN  ))
      2.846     1.012     1.012 peak   847 weight  1.00000E+00 volume  5.01444E+07 ppm1      9.719 ppm2      3.013

 ASSI {  843}
   (( segid "   A" and resid 115  and name  HB1 ))
   (( segid "   A" and resid 116  and name  HN  ))
      3.194     1.275     1.275 peak   843 weight  1.00000E+00 volume  2.50936E+07 ppm1      8.670 ppm2      3.029

 ASSI { 2069}
   (( segid "   A" and resid 115  and name  HA  ))
   (( segid "   A" and resid 116  and name  HN  ))
      2.372     0.703     0.703 peak  2069 weight  1.00000E+00 volume  1.49696E+08 ppm1      8.670 ppm2      3.903
 OR { 2069}
   (( segid "   A" and resid 116  and name  HA  ))
   (( segid "   A" and resid 116  and name  HN  ))

 ASSI { 2774}
   (( segid "   A" and resid 115  and name  HN  ))
   (( segid "   A" and resid 116  and name  HB  ))
      3.604     1.624     1.624 peak  2774 weight  1.00000E+00 volume  1.21500E+07 ppm1      9.724 ppm2      2.067

 ASSI { 2779}
   (( segid "   A" and resid 115  and name  HA  ))
   (( segid "   A" and resid 116  and name  HN  ))
      2.358     0.695     0.695 peak  2779 weight  1.00000E+00 volume  1.49700E+08 ppm1      8.670 ppm2      3.903

 ASSI {   24}
   (( segid "   A" and resid 116  and name  HN  ))
   (( segid "   A" and resid 115  and name  HN  ))
      2.347     0.688     0.688 peak    24 weight  1.00000E+00 volume  1.59431E+08 ppm1      9.721 ppm2      8.684

 ASSI { 2248}
   (  segid "   A" and resid 116  and name  HG2#)
   (( segid "   A" and resid 116  and name  HA  ))
      2.125     0.564     0.564 peak  2248 weight  1.00000E+00 volume  5.82906E+06 ppm1      0.768 ppm2      3.915

 ASSI { 2611}
   (( segid "   A" and resid 116  and name  HA  ))
   (( segid "   A" and resid 116  and name  HG11))
      2.351     0.691     0.691 peak  2611 weight  1.00000E+00 volume  3.31689E+06 ppm1      3.914 ppm2      0.984

 ASSI { 2612}
   (( segid "   A" and resid 116  and name  HA  ))
   (( segid "   A" and resid 116  and name  HG12))
      2.494     0.777     0.777 peak  2612 weight  1.00000E+00 volume  2.32861E+06 ppm1      3.914 ppm2      1.454

 ASSI {  849}
   (( segid "   A" and resid 116  and name  HN  ))
   (( segid "   A" and resid 116  and name  HB  ))
      2.238     0.626     0.626 peak   849 weight  1.00000E+00 volume  2.11764E+08 ppm1      8.665 ppm2      2.051

 ASSI { 2623}
   (( segid "   A" and resid 116  and name  HG11))
   (  segid "   A" and resid 116  and name  HD1#)
      1.824     0.416     0.416 peak  2623 weight  1.00000E+00 volume  1.52164E+07 ppm1      0.778 ppm2      0.982

 ASSI { 2624}
   (( segid "   A" and resid 116  and name  HG12))
   (  segid "   A" and resid 116  and name  HD1#)
      1.738     0.377     0.377 peak  2624 weight  1.00000E+00 volume  2.03337E+07 ppm1      0.779 ppm2      1.463

 ASSI { 2626}
   (( segid "   A" and resid 116  and name  HB  ))
   (  segid "   A" and resid 116  and name  HD1#)
      2.198     0.604     0.604 peak  2626 weight  1.00000E+00 volume  4.96832E+06 ppm1      0.777 ppm2      2.065

 ASSI { 2632}
   (( segid "   A" and resid 116  and name  HG11))
   (( segid "   A" and resid 116  and name  HG12))
      2.036     0.518     0.518 peak  2632 weight  1.00000E+00 volume  7.85724E+06 ppm1      1.457 ppm2      0.984

 ASSI { 2617}
   (( segid "   A" and resid 116  and name  HG12))
   (( segid "   A" and resid 116  and name  HB  ))
      2.262     0.639     0.639 peak  2617 weight  1.00000E+00 volume  4.18461E+06 ppm1      2.065 ppm2      1.446

 ASSI { 2640}
   (  segid "   A" and resid 116  and name  HG2#)
   (( segid "   A" and resid 116  and name  HG11))
      1.934     0.467     0.467 peak  2640 weight  1.00000E+00 volume  1.07018E+07 ppm1      0.771 ppm2      0.987

 ASSI { 2619}
   (  segid "   A" and resid 116  and name  HG2#)
   (( segid "   A" and resid 116  and name  HB  ))
      2.035     0.518     0.518 peak  2619 weight  1.00000E+00 volume  7.87531E+06 ppm1      2.064 ppm2      0.758

 ASSI {  848}
   (( segid "   A" and resid 116  and name  HA  ))
   (( segid "   A" and resid 116  and name  HN  ))
      2.246     0.631     0.631 peak   848 weight  1.00000E+00 volume  2.07543E+08 ppm1      8.664 ppm2      3.894

 ASSI { 2073}
   (( segid "   A" and resid 116  and name  HN  ))
   (( segid "   A" and resid 116  and name  HG12))
      2.168     0.588     0.588 peak  2073 weight  1.00000E+00 volume  2.56264E+08 ppm1      8.665 ppm2      1.440

 ASSI { 2721}
   (( segid "   A" and resid 116  and name  HN  ))
   (( segid "   A" and resid 116  and name  HG11))
      2.390     0.714     0.714 peak  2721 weight  1.00000E+00 volume  1.42900E+08 ppm1      8.666 ppm2      0.960

 ASSI {  967}
   (  segid "   A" and resid 116  and name  HG2#)
   (( segid "   A" and resid 118  and name  HN  ))
      3.043     1.158     1.158 peak   967 weight  1.00000E+00 volume  3.35390E+07 ppm1      8.738 ppm2      0.770

 ASSI { 2738}
   (( segid "   A" and resid 116  and name  HA  ))
   (( segid "   A" and resid 118  and name  HN  ))
      3.902     1.903     1.903 peak  2738 weight  1.00000E+00 volume  7.55000E+06 ppm1      8.741 ppm2      3.883

 ASSI { 3824}
   (  segid "   A" and resid 116  and name  HG2#)
   (( segid "   A" and resid 123  and name  HN  ))
      2.660     0.884     0.884 peak  3824 weight  1.00000E+00 volume  1.58100E+06 ppm1      0.770 ppm2      9.128

 ASSI { 4027}
   (( segid "   A" and resid 116  and name  HB  ))
   (  segid "   A" and resid 123  and name  HD1#)
      2.867     1.027     1.027 peak  4027 weight  1.00000E+00 volume  1.00800E+06 ppm1      0.681 ppm2      2.074

 ASSI {  399}
   (( segid "   A" and resid 116  and name  HN  ))
   (( segid "   A" and resid 123  and name  HN  ))
      2.683     0.900     0.900 peak   399 weight  1.00000E+00 volume  6.33551E+07 ppm1      8.666 ppm2      9.122

 ASSI { 2808}
   (( segid "   A" and resid 116  and name  HB  ))
   (( segid "   A" and resid 123  and name  HN  ))
      2.677     0.896     0.896 peak  2808 weight  1.00000E+00 volume  7.24200E+07 ppm1      9.128 ppm2      2.052

 ASSI { 2860}
   (( segid "   A" and resid 116  and name  HA  ))
   (( segid "   A" and resid 123  and name  HN  ))
      3.121     1.218     1.218 peak  2860 weight  1.00000E+00 volume  2.88037E+07 ppm1      9.127 ppm2      3.886

 ASSI { 2777}
   (( segid "   A" and resid 116  and name  HN  ))
   (( segid "   A" and resid 125  and name  HN  ))
      3.948     1.949     1.949 peak  2777 weight  1.00000E+00 volume  7.03000E+06 ppm1      8.665 ppm2      9.522

 ASSI { 3999}
   (( segid "   A" and resid 117  and name  HG2 ))
   (  segid "   A" and resid 78   and name  HE# )
      2.753     0.947     0.947 peak  3999 weight  1.00000E+00 volume  1.28700E+06 ppm1      2.342 ppm2      2.890

 ASSI {  580}
   (( segid "   A" and resid 117  and name  HN  ))
   (( segid "   A" and resid 116  and name  HA  ))
      1.904     0.453     0.453 peak   580 weight  1.00000E+00 volume  5.58584E+08 ppm1      8.362 ppm2      3.894

 ASSI { 3996}
   (( segid "   A" and resid 117  and name  HN  ))
   (  segid "   A" and resid 116  and name  HG2#)
      2.417     0.730     0.730 peak  3996 weight  1.00000E+00 volume  2.80800E+06 ppm1      0.766 ppm2      8.346

 ASSI {  400}
   (( segid "   A" and resid 117  and name  HN  ))
   (( segid "   A" and resid 116  and name  HN  ))
      3.021     1.141     1.141 peak   400 weight  1.00000E+00 volume  3.50674E+07 ppm1      8.662 ppm2      8.365

 ASSI {  579}
   (( segid "   A" and resid 117  and name  HG1 ))
   (( segid "   A" and resid 117  and name  HN  ))
      2.049     0.525     0.525 peak   579 weight  1.00000E+00 volume  3.59819E+08 ppm1      8.361 ppm2      2.034

 ASSI { 2656}
   (( segid "   A" and resid 117  and name  HB2 ))
   (( segid "   A" and resid 117  and name  HA  ))
      2.130     0.567     0.567 peak  2656 weight  1.00000E+00 volume  5.98675E+06 ppm1      1.911 ppm2      4.313

 ASSI { 2114}
   (( segid "   A" and resid 117  and name  HG1 ))
   (( segid "   A" and resid 117  and name  HG2 ))
      1.783     0.397     0.397 peak  2114 weight  1.00000E+00 volume  1.74528E+07 ppm1      2.340 ppm2      2.008

 ASSI { 2666}
   (( segid "   A" and resid 117  and name  HA  ))
   (( segid "   A" and resid 117  and name  HG2 ))
      2.532     0.801     0.801 peak  2666 weight  1.00000E+00 volume  2.12553E+06 ppm1      2.339 ppm2      4.313

 ASSI { 2667}
   (( segid "   A" and resid 117  and name  HA  ))
   (( segid "   A" and resid 117  and name  HG1 ))
      2.467     0.761     0.761 peak  2667 weight  1.00000E+00 volume  2.48269E+06 ppm1      2.023 ppm2      4.314

 ASSI {  851}
   (( segid "   A" and resid 117  and name  HA  ))
   (( segid "   A" and resid 117  and name  HN  ))
      2.559     0.819     0.819 peak   851 weight  1.00000E+00 volume  9.48163E+07 ppm1      8.362 ppm2      4.289

 ASSI {  969}
   (( segid "   A" and resid 117  and name  HG2 ))
   (( segid "   A" and resid 117  and name  HN  ))
      2.417     0.730     0.730 peak   969 weight  1.00000E+00 volume  1.33553E+08 ppm1      8.362 ppm2      2.321

 ASSI { 1175}
   (( segid "   A" and resid 117  and name  HB1 ))
   (( segid "   A" and resid 117  and name  HN  ))
      2.080     0.541     0.541 peak  1175 weight  1.00000E+00 volume  3.28900E+08 ppm1      8.362 ppm2      1.957

 ASSI {  439}
   (( segid "   A" and resid 117  and name  HA  ))
   (( segid "   A" and resid 118  and name  HN  ))
      2.085     0.543     0.543 peak   439 weight  1.00000E+00 volume  3.24681E+08 ppm1      8.739 ppm2      4.289

 ASSI { 3998}
   (( segid "   A" and resid 117  and name  HB2 ))
   (( segid "   A" and resid 118  and name  HN  ))
      2.685     0.901     0.901 peak  3998 weight  1.00000E+00 volume  1.49400E+06 ppm1      1.914 ppm2      8.730

 ASSI {   96}
   (( segid "   A" and resid 117  and name  HN  ))
   (( segid "   A" and resid 118  and name  HN  ))
      3.194     1.275     1.275 peak    96 weight  1.00000E+00 volume  2.50839E+07 ppm1      8.743 ppm2      8.352

 ASSI { 4013}
   (( segid "   A" and resid 117  and name  HA  ))
   (  segid "   A" and resid 122  and name  HD1#)
      2.359     0.696     0.696 peak  4013 weight  1.00000E+00 volume  3.25000E+06 ppm1      0.653 ppm2      4.323

 ASSI { 2782}
   (( segid "   A" and resid 117  and name  HN  ))
   (( segid "   A" and resid 122  and name  HA  ))
      3.272     1.338     1.338 peak  2782 weight  1.00000E+00 volume  2.17200E+07 ppm1      8.367 ppm2      4.804

 ASSI {   27}
   (( segid "   A" and resid 117  and name  HN  ))
   (( segid "   A" and resid 123  and name  HN  ))
      3.377     1.425     1.425 peak    27 weight  1.00000E+00 volume  1.79619E+07 ppm1      8.364 ppm2      9.128

 ASSI { 2137}
   (( segid "   A" and resid 117  and name  HA  ))
   (( segid "   A" and resid 123  and name  HN  ))
      3.093     1.196     1.196 peak  2137 weight  1.00000E+00 volume  3.04384E+07 ppm1      9.128 ppm2      4.293

 ASSI { 2147}
   (  segid "   A" and resid 118  and name  HB# )
   (( segid "   A" and resid 118  and name  HA  ))
      1.920     0.461     0.461 peak  2147 weight  1.00000E+00 volume  1.11733E+07 ppm1      1.293 ppm2      4.776

 ASSI {  854}
   (  segid "   A" and resid 118  and name  HB# )
   (( segid "   A" and resid 118  and name  HN  ))
      2.218     0.615     0.615 peak   854 weight  1.00000E+00 volume  1.57421E+08 ppm1      8.741 ppm2      1.270

 ASSI { 2737}
   (( segid "   A" and resid 118  and name  HA  ))
   (( segid "   A" and resid 118  and name  HN  ))
      2.441     0.745     0.745 peak  2737 weight  1.00000E+00 volume  1.25800E+08 ppm1      8.741 ppm2      4.801

 ASSI { 2618}
   (  segid "   A" and resid 118  and name  HB# )
   (( segid "   A" and resid 119  and name  HG1 ))
      2.255     0.636     0.636 peak  2618 weight  1.00000E+00 volume  4.25918E+06 ppm1      2.066 ppm2      1.315

 ASSI { 4004}
   (  segid "   A" and resid 118  and name  HB# )
   (( segid "   A" and resid 119  and name  HG2 ))
      2.359     0.696     0.696 peak  4004 weight  1.00000E+00 volume  3.24600E+06 ppm1      1.295 ppm2      2.032

 ASSI {  581}
   (( segid "   A" and resid 118  and name  HA  ))
   (( segid "   A" and resid 119  and name  HN  ))
      2.279     0.649     0.649 peak   581 weight  1.00000E+00 volume  1.89939E+08 ppm1      8.918 ppm2      4.755

 ASSI {  582}
   (  segid "   A" and resid 118  and name  HB# )
   (( segid "   A" and resid 119  and name  HN  ))
      2.221     0.616     0.616 peak   582 weight  1.00000E+00 volume  2.22071E+08 ppm1      8.919 ppm2      1.281

 ASSI { 2796}
   (  segid "   A" and resid 118  and name  HB# )
   (( segid "   A" and resid 120  and name  HN  ))
      2.286     0.653     0.653 peak  2796 weight  1.00000E+00 volume  1.38900E+08 ppm1      8.043 ppm2      1.279

 ASSI { 4003}
   (  segid "   A" and resid 118  and name  HB# )
   (( segid "   A" and resid 121  and name  HA2 ))
      2.944     1.084     1.084 peak  4003 weight  1.00000E+00 volume  8.59200E+05 ppm1      1.289 ppm2      3.595
 OR { 4003}
   (  segid "   A" and resid 118  and name  HB# )
   (( segid "   A" and resid 120  and name  HB1 ))

 ASSI { 2084}
   (( segid "   A" and resid 118  and name  HN  ))
   (( segid "   A" and resid 121  and name  HN  ))
      2.813     0.989     0.989 peak  2084 weight  1.00000E+00 volume  3.79239E+07 ppm1      8.738 ppm2      7.021

 ASSI { 2085}
   (( segid "   A" and resid 118  and name  HN  ))
   (( segid "   A" and resid 121  and name  HA2 ))
      3.641     1.657     1.657 peak  2085 weight  1.00000E+00 volume  1.14295E+07 ppm1      8.739 ppm2      3.545

 ASSI { 2787}
   (( segid "   A" and resid 118  and name  HN  ))
   (( segid "   A" and resid 121  and name  HA1 ))
      3.641     1.657     1.657 peak  2787 weight  1.00000E+00 volume  1.14300E+07 ppm1      8.739 ppm2      3.545

 ASSI { 2797}
   (( segid "   A" and resid 118  and name  HA  ))
   (( segid "   A" and resid 121  and name  HN  ))
      3.120     1.217     1.217 peak  2797 weight  1.00000E+00 volume  2.88800E+07 ppm1      7.019 ppm2      4.757

 ASSI { 2802}
   (  segid "   A" and resid 118  and name  HB# )
   (( segid "   A" and resid 121  and name  HN  ))
      2.429     0.738     0.738 peak  2802 weight  1.00000E+00 volume  1.29700E+08 ppm1      7.017 ppm2      1.279

 ASSI { 2751}
   (  segid "   A" and resid 118  and name  HB# )
   (  segid "   A" and resid 123  and name  HD1#)
      1.737     0.377     0.377 peak  2751 weight  1.00000E+00 volume  3.95640E+06 ppm1      0.685 ppm2      1.300

 ASSI { 2083}
   (( segid "   A" and resid 118  and name  HN  ))
   (( segid "   A" and resid 123  and name  HN  ))
      3.076     1.183     1.183 peak  2083 weight  1.00000E+00 volume  3.14310E+07 ppm1      8.740 ppm2      9.128

 ASSI { 2621}
   (( segid "   A" and resid 119  and name  HG1 ))
   (( segid "   A" and resid 119  and name  HN  ))
      2.364     0.699     0.699 peak  2621 weight  1.00000E+00 volume  3.20644E+06 ppm1      2.062 ppm2      8.875

 ASSI { 2096}
   (( segid "   A" and resid 119  and name  HN  ))
   (  segid "   A" and resid 119  and name  HB# )
      2.257     0.637     0.637 peak  2096 weight  1.00000E+00 volume  2.01515E+08 ppm1      8.918 ppm2      1.911

 ASSI { 2094}
   (( segid "   A" and resid 119  and name  HN  ))
   (( segid "   A" and resid 119  and name  HA  ))
      2.447     0.748     0.748 peak  2094 weight  1.00000E+00 volume  1.24140E+08 ppm1      8.919 ppm2      4.151

 ASSI { 2095}
   (( segid "   A" and resid 119  and name  HG2 ))
   (( segid "   A" and resid 119  and name  HN  ))
      2.354     0.692     0.692 peak  2095 weight  1.00000E+00 volume  1.56692E+08 ppm1      8.919 ppm2      2.040

 ASSI {   91}
   (( segid "   A" and resid 119  and name  HN  ))
   (( segid "   A" and resid 120  and name  HN  ))
      2.508     0.786     0.786 peak    91 weight  1.00000E+00 volume  1.07012E+08 ppm1      8.918 ppm2      8.039

 ASSI { 2108}
   (( segid "   A" and resid 119  and name  HG2 ))
   (( segid "   A" and resid 120  and name  HN  ))
      2.651     0.879     0.879 peak  2108 weight  1.00000E+00 volume  7.66927E+07 ppm1      8.044 ppm2      2.042

 ASSI { 2790}
   (( segid "   A" and resid 119  and name  HN  ))
   (( segid "   A" and resid 121  and name  HN  ))
      3.242     1.314     1.314 peak  2790 weight  1.00000E+00 volume  2.29300E+07 ppm1      8.917 ppm2      7.024

 ASSI { 2801}
   (  segid "   A" and resid 119  and name  HG# )
   (( segid "   A" and resid 121  and name  HN  ))
      3.214     1.291     1.291 peak  2801 weight  1.00000E+00 volume  2.41600E+07 ppm1      7.014 ppm2      2.074

 ASSI { 2099}
   (( segid "   A" and resid 119  and name  HN  ))
   (  segid "   A" and resid 123  and name  HD1#)
      2.669     0.890     0.890 peak  2099 weight  1.00000E+00 volume  7.37253E+07 ppm1      8.920 ppm2      0.678

 ASSI {  583}
   (( segid "   A" and resid 120  and name  HN  ))
   (( segid "   A" and resid 119  and name  HA  ))
      2.923     1.068     1.068 peak   583 weight  1.00000E+00 volume  4.27015E+07 ppm1      8.044 ppm2      4.146

 ASSI {  584}
   (( segid "   A" and resid 120  and name  HN  ))
   (  segid "   A" and resid 119  and name  HB# )
      2.669     0.891     0.891 peak   584 weight  1.00000E+00 volume  7.36519E+07 ppm1      8.047 ppm2      1.913

 ASSI { 2689}
   (( segid "   A" and resid 120  and name  HB1 ))
   (( segid "   A" and resid 120  and name  HB2 ))
      2.399     0.719     0.719 peak  2689 weight  1.00000E+00 volume  2.63928E+06 ppm1      3.619 ppm2      2.569

 ASSI { 2692}
   (( segid "   A" and resid 120  and name  HB1 ))
   (( segid "   A" and resid 120  and name  HA  ))
      2.479     0.768     0.768 peak  2692 weight  1.00000E+00 volume  2.41324E+06 ppm1      3.612 ppm2      4.882

 ASSI { 2693}
   (( segid "   A" and resid 120  and name  HB2 ))
   (( segid "   A" and resid 120  and name  HA  ))
      2.639     0.871     0.871 peak  2693 weight  1.00000E+00 volume  1.65669E+06 ppm1      2.555 ppm2      4.902

 ASSI {  234}
   (( segid "   A" and resid 120  and name  HD22))
   (( segid "   A" and resid 120  and name  HD21))
      2.584     0.835     0.835 peak   234 weight  1.00000E+00 volume  8.34082E+07 ppm1      8.609 ppm2      7.062

 ASSI { 2101}
   (( segid "   A" and resid 120  and name  HN  ))
   (( segid "   A" and resid 120  and name  HA  ))
      2.858     1.021     1.021 peak  2101 weight  1.00000E+00 volume  4.89277E+07 ppm1      8.043 ppm2      4.877

 ASSI { 2107}
   (( segid "   A" and resid 120  and name  HN  ))
   (( segid "   A" and resid 120  and name  HB2 ))
      3.000     1.125     1.125 peak  2107 weight  1.00000E+00 volume  3.65243E+07 ppm1      8.042 ppm2      2.529

 ASSI { 2794}
   (( segid "   A" and resid 120  and name  HN  ))
   (( segid "   A" and resid 120  and name  HB1 ))
      3.101     1.202     1.202 peak  2794 weight  1.00000E+00 volume  2.99500E+07 ppm1      8.045 ppm2      3.617

 ASSI { 2875}
   (( segid "   A" and resid 120  and name  HB2 ))
   (( segid "   A" and resid 120  and name  HD22))
      3.224     1.299     1.299 peak  2875 weight  1.00000E+00 volume  2.37102E+07 ppm1      7.065 ppm2      2.527

 ASSI { 2877}
   (( segid "   A" and resid 120  and name  HB1 ))
   (( segid "   A" and resid 120  and name  HD22))
      3.084     1.189     1.189 peak  2877 weight  1.00000E+00 volume  3.09453E+07 ppm1      7.057 ppm2      3.623

 ASSI { 2878}
   (( segid "   A" and resid 120  and name  HB1 ))
   (( segid "   A" and resid 120  and name  HD21))
      3.069     1.177     1.177 peak  2878 weight  1.00000E+00 volume  3.18751E+07 ppm1      8.606 ppm2      3.609

 ASSI { 2879}
   (( segid "   A" and resid 120  and name  HB2 ))
   (( segid "   A" and resid 120  and name  HD21))
      3.058     1.169     1.169 peak  2879 weight  1.00000E+00 volume  3.25903E+07 ppm1      8.610 ppm2      2.531

 ASSI { 4005}
   (( segid "   A" and resid 120  and name  HB1 ))
   (( segid "   A" and resid 121  and name  HN  ))
      2.635     0.868     0.868 peak  4005 weight  1.00000E+00 volume  1.67400E+06 ppm1      3.616 ppm2      7.042

 ASSI {   35}
   (( segid "   A" and resid 120  and name  HN  ))
   (( segid "   A" and resid 121  and name  HN  ))
      2.339     0.684     0.684 peak    35 weight  1.00000E+00 volume  1.62778E+08 ppm1      7.018 ppm2      8.040

 ASSI {  862}
   (( segid "   A" and resid 120  and name  HN  ))
   (( segid "   A" and resid 121  and name  HA1 ))
      3.459     1.496     1.496 peak   862 weight  1.00000E+00 volume  1.55472E+07 ppm1      8.036 ppm2      5.753

 ASSI {  867}
   (( segid "   A" and resid 120  and name  HA  ))
   (( segid "   A" and resid 121  and name  HN  ))
      2.589     0.838     0.838 peak   867 weight  1.00000E+00 volume  8.84965E+07 ppm1      7.018 ppm2      4.874

 ASSI { 2799}
   (( segid "   A" and resid 120  and name  HB2 ))
   (( segid "   A" and resid 121  and name  HN  ))
      3.204     1.283     1.283 peak  2799 weight  1.00000E+00 volume  2.46400E+07 ppm1      7.017 ppm2      2.549

 ASSI { 2698}
   (( segid "   A" and resid 121  and name  HA2 ))
   (( segid "   A" and resid 121  and name  HA1 ))
      2.258     0.637     0.637 peak  2698 weight  1.00000E+00 volume  4.22060E+06 ppm1      3.578 ppm2      5.758

 ASSI {  860}
   (( segid "   A" and resid 121  and name  HA1 ))
   (( segid "   A" and resid 121  and name  HN  ))
      2.560     0.819     0.819 peak   860 weight  1.00000E+00 volume  9.46533E+07 ppm1      7.018 ppm2      5.766

 ASSI {  861}
   (( segid "   A" and resid 121  and name  HA2 ))
   (( segid "   A" and resid 121  and name  HN  ))
      2.414     0.728     0.728 peak   861 weight  1.00000E+00 volume  1.34582E+08 ppm1      7.018 ppm2      3.543

 ASSI { 3682}
   (( segid "   A" and resid 122  and name  HB  ))
   (( segid "   A" and resid 37   and name  HA  ))
      2.808     0.985     0.985 peak  3682 weight  1.00000E+00 volume  1.14300E+06 ppm1      1.643 ppm2      5.308

 ASSI { 2904}
   (( segid "   A" and resid 122  and name  HB  ))
   (( segid "   A" and resid 38   and name  HN  ))
      3.250     1.320     1.320 peak  2904 weight  1.00000E+00 volume  2.26180E+07 ppm1      8.927 ppm2      1.605

 ASSI { 3393}
   (( segid "   A" and resid 122  and name  HB  ))
   (( segid "   A" and resid 76   and name  HA  ))
      2.657     0.883     0.883 peak  3393 weight  1.00000E+00 volume  1.58994E+06 ppm1      1.655 ppm2      4.076

 ASSI { 2805}
   (( segid "   A" and resid 122  and name  HN  ))
   (( segid "   A" and resid 76   and name  HA  ))
      3.377     1.426     1.426 peak  2805 weight  1.00000E+00 volume  1.79600E+07 ppm1      8.871 ppm2      4.098

 ASSI { 2602}
   (( segid "   A" and resid 122  and name  HB  ))
   (( segid "   A" and resid 77   and name  HN  ))
      2.856     1.020     1.020 peak  2602 weight  1.00000E+00 volume  4.90400E+07 ppm1      8.442 ppm2      1.617

 ASSI { 3768}
   (  segid "   A" and resid 122  and name  HD1#)
   (  segid "   A" and resid 78   and name  HE# )
      2.001     0.501     0.501 peak  3768 weight  1.00000E+00 volume  8.70900E+06 ppm1      2.905 ppm2      0.652

 ASSI { 4014}
   (  segid "   A" and resid 122  and name  HD1#)
   (( segid "   A" and resid 78   and name  HA  ))
      2.522     0.795     0.795 peak  4014 weight  1.00000E+00 volume  2.17600E+06 ppm1      0.651 ppm2      4.602

 ASSI { 3977}
   (  segid "   A" and resid 122  and name  HG2#)
   (  segid "   A" and resid 114  and name  HB# )
      3.030     1.147     1.147 peak  3977 weight  1.00000E+00 volume  7.24000E+05 ppm1      1.495 ppm2      0.371

 ASSI { 2598}
   (  segid "   A" and resid 122  and name  HG2#)
   (( segid "   A" and resid 115  and name  HA  ))
      2.204     0.607     0.607 peak  2598 weight  1.00000E+00 volume  4.20873E+06 ppm1      3.903 ppm2      0.379

 ASSI { 4012}
   (  segid "   A" and resid 122  and name  HD1#)
   (( segid "   A" and resid 115  and name  HA  ))
      2.542     0.808     0.808 peak  4012 weight  1.00000E+00 volume  2.07300E+06 ppm1      0.649 ppm2      3.895

 ASSI { 2776}
   (  segid "   A" and resid 122  and name  HG2#)
   (( segid "   A" and resid 115  and name  HN  ))
      2.786     0.970     0.970 peak  2776 weight  1.00000E+00 volume  5.69800E+07 ppm1      9.719 ppm2      0.344

 ASSI { 2076}
   (  segid "   A" and resid 122  and name  HG2#)
   (( segid "   A" and resid 116  and name  HN  ))
      2.249     0.632     0.632 peak  2076 weight  1.00000E+00 volume  9.04683E+07 ppm1      8.666 ppm2      0.351

 ASSI { 2781}
   (  segid "   A" and resid 122  and name  HD1#)
   (( segid "   A" and resid 116  and name  HN  ))
      2.595     0.842     0.842 peak  2781 weight  1.00000E+00 volume  8.72400E+07 ppm1      8.665 ppm2      0.654

 ASSI { 2664}
   (  segid "   A" and resid 122  and name  HD1#)
   (( segid "   A" and resid 117  and name  HG2 ))
      2.424     0.734     0.734 peak  2664 weight  1.00000E+00 volume  1.94587E+06 ppm1      2.339 ppm2      0.643

 ASSI { 2786}
   (  segid "   A" and resid 122  and name  HD1#)
   (( segid "   A" and resid 117  and name  HN  ))
      2.715     0.922     0.922 peak  2786 weight  1.00000E+00 volume  6.51200E+07 ppm1      8.362 ppm2      0.656

 ASSI { 4002}
   (( segid "   A" and resid 122  and name  HN  ))
   (  segid "   A" and resid 118  and name  HB# )
      2.140     0.573     0.573 peak  4002 weight  1.00000E+00 volume  5.82100E+06 ppm1      1.295 ppm2      8.881

 ASSI {   94}
   (( segid "   A" and resid 122  and name  HN  ))
   (( segid "   A" and resid 118  and name  HN  ))
      2.721     0.926     0.926 peak    94 weight  1.00000E+00 volume  6.56229E+07 ppm1      8.736 ppm2      8.895

 ASSI { 2086}
   (( segid "   A" and resid 122  and name  HB  ))
   (( segid "   A" and resid 118  and name  HN  ))
      3.296     1.358     1.358 peak  2086 weight  1.00000E+00 volume  2.07849E+07 ppm1      8.743 ppm2      1.616

 ASSI { 2089}
   (  segid "   A" and resid 122  and name  HD1#)
   (( segid "   A" and resid 118  and name  HN  ))
      2.407     0.724     0.724 peak  2089 weight  1.00000E+00 volume  1.08571E+08 ppm1      8.740 ppm2      0.648

 ASSI { 2788}
   (( segid "   A" and resid 122  and name  HG11))
   (( segid "   A" and resid 118  and name  HN  ))
      3.205     1.284     1.284 peak  2788 weight  1.00000E+00 volume  2.45700E+07 ppm1      8.739 ppm2      1.019

 ASSI { 2789}
   (  segid "   A" and resid 122  and name  HG2#)
   (( segid "   A" and resid 118  and name  HN  ))
      3.276     1.341     1.341 peak  2789 weight  1.00000E+00 volume  2.15600E+07 ppm1      8.740 ppm2      0.363

 ASSI { 2697}
   (( segid "   A" and resid 122  and name  HG11))
   (( segid "   A" and resid 121  and name  HA2 ))
      2.703     0.913     0.913 peak  2697 weight  1.00000E+00 volume  1.43596E+06 ppm1      3.570 ppm2      1.049

 ASSI {  857}
   (( segid "   A" and resid 122  and name  HN  ))
   (( segid "   A" and resid 121  and name  HA1 ))
      2.398     0.719     0.719 peak   857 weight  1.00000E+00 volume  1.39928E+08 ppm1      8.871 ppm2      5.771

 ASSI {   38}
   (( segid "   A" and resid 122  and name  HN  ))
   (( segid "   A" and resid 121  and name  HN  ))
      2.749     0.945     0.945 peak    38 weight  1.00000E+00 volume  6.16888E+07 ppm1      7.016 ppm2      8.885

 ASSI {  859}
   (( segid "   A" and resid 122  and name  HN  ))
   (( segid "   A" and resid 121  and name  HA2 ))
      2.430     0.738     0.738 peak   859 weight  1.00000E+00 volume  1.29465E+08 ppm1      8.870 ppm2      3.536

 ASSI { 1360}
   (( segid "   A" and resid 122  and name  HB  ))
   (  segid "   A" and resid 122  and name  HD1#)
      2.478     0.767     0.767 peak  1360 weight  1.00000E+00 volume  2.41868E+06 ppm1      1.642 ppm2      0.636

 ASSI {  865}
   (( segid "   A" and resid 122  and name  HB  ))
   (( segid "   A" and resid 122  and name  HN  ))
      2.439     0.744     0.744 peak   865 weight  1.00000E+00 volume  1.26586E+08 ppm1      8.871 ppm2      1.612

 ASSI { 2708}
   (( segid "   A" and resid 122  and name  HB  ))
   (  segid "   A" and resid 122  and name  HG2#)
      2.125     0.565     0.565 peak  2708 weight  1.00000E+00 volume  3.44284E+06 ppm1      1.647 ppm2      0.378

 ASSI { 2711}
   (( segid "   A" and resid 122  and name  HG11))
   (  segid "   A" and resid 122  and name  HD1#)
      1.894     0.448     0.448 peak  2711 weight  1.00000E+00 volume  1.21398E+07 ppm1      0.651 ppm2      1.035

 ASSI { 2721}
   (  segid "   A" and resid 122  and name  HD1#)
   (( segid "   A" and resid 122  and name  HA  ))
      2.291     0.656     0.656 peak  2721 weight  1.00000E+00 volume  3.86949E+06 ppm1      0.651 ppm2      4.835

 ASSI { 2727}
   (( segid "   A" and resid 122  and name  HG11))
   (( segid "   A" and resid 122  and name  HG12))
      1.616     0.326     0.326 peak  2727 weight  1.00000E+00 volume  3.14922E+07 ppm1      1.100 ppm2      1.027

 ASSI { 2729}
   (( segid "   A" and resid 122  and name  HB  ))
   (( segid "   A" and resid 122  and name  HG12))
      2.275     0.647     0.647 peak  2729 weight  1.00000E+00 volume  4.04067E+06 ppm1      1.096 ppm2      1.644

 ASSI {  703}
   (( segid "   A" and resid 122  and name  HB  ))
   (( segid "   A" and resid 122  and name  HG11))
      2.150     0.578     0.578 peak   703 weight  1.00000E+00 volume  5.66184E+06 ppm1      1.644 ppm2      1.049

 ASSI { 2709}
   (  segid "   A" and resid 122  and name  HD1#)
   (  segid "   A" and resid 122  and name  HG2#)
      1.930     0.466     0.466 peak  2709 weight  1.00000E+00 volume  1.08259E+07 ppm1      0.652 ppm2      0.380

 ASSI { 2742}
   (  segid "   A" and resid 122  and name  HG2#)
   (( segid "   A" and resid 122  and name  HA  ))
      2.360     0.696     0.696 peak  2742 weight  1.00000E+00 volume  3.23836E+06 ppm1      0.375 ppm2      4.838

 ASSI {  864}
   (( segid "   A" and resid 122  and name  HN  ))
   (( segid "   A" and resid 122  and name  HA  ))
      2.735     0.935     0.935 peak   864 weight  1.00000E+00 volume  6.36895E+07 ppm1      8.870 ppm2      4.827

 ASSI { 2133}
   (( segid "   A" and resid 122  and name  HG11))
   (( segid "   A" and resid 122  and name  HN  ))
      2.454     0.753     0.753 peak  2133 weight  1.00000E+00 volume  1.22101E+08 ppm1      8.871 ppm2      0.993

 ASSI { 2135}
   (( segid "   A" and resid 122  and name  HN  ))
   (  segid "   A" and resid 122  and name  HG2#)
      2.769     0.959     0.959 peak  2135 weight  1.00000E+00 volume  4.38014E+07 ppm1      8.869 ppm2      0.348

 ASSI {  134}
   (( segid "   A" and resid 122  and name  HN  ))
   (( segid "   A" and resid 123  and name  HN  ))
      3.089     1.193     1.193 peak   134 weight  1.00000E+00 volume  3.06437E+07 ppm1      8.868 ppm2      9.119

 ASSI {  586}
   (( segid "   A" and resid 122  and name  HB  ))
   (( segid "   A" and resid 123  and name  HN  ))
      2.961     1.096     1.096 peak   586 weight  1.00000E+00 volume  3.95308E+07 ppm1      9.129 ppm2      1.611

 ASSI {  971}
   (  segid "   A" and resid 122  and name  HD1#)
   (( segid "   A" and resid 123  and name  HN  ))
      2.301     0.662     0.662 peak   971 weight  1.00000E+00 volume  1.79257E+08 ppm1      9.127 ppm2      0.662

 ASSI {  587}
   (( segid "   A" and resid 122  and name  HA  ))
   (( segid "   A" and resid 123  and name  HN  ))
      2.190     0.599     0.599 peak   587 weight  1.00000E+00 volume  2.41724E+08 ppm1      9.128 ppm2      4.830

 ASSI { 2804}
   (( segid "   A" and resid 122  and name  HN  ))
   (( segid "   A" and resid 123  and name  HA  ))
      3.498     1.530     1.530 peak  2804 weight  1.00000E+00 volume  1.45400E+07 ppm1      8.870 ppm2      4.654

 ASSI { 2810}
   (  segid "   A" and resid 122  and name  HG2#)
   (( segid "   A" and resid 123  and name  HN  ))
      2.308     0.666     0.666 peak  2810 weight  1.00000E+00 volume  1.27100E+08 ppm1      9.127 ppm2      0.346

 ASSI { 2813}
   (  segid "   A" and resid 122  and name  HG2#)
   (( segid "   A" and resid 124  and name  HN  ))
      3.616     1.635     1.635 peak  2813 weight  1.00000E+00 volume  1.19100E+07 ppm1      8.794 ppm2      0.338

 ASSI { 4142}
   (( segid "   A" and resid 123  and name  HG12))
   (( segid "   A" and resid 38   and name  HB  ))
      2.727     0.929     0.929 peak  4142 weight  1.00000E+00 volume  1.36250E+06 ppm1      1.827 ppm2      0.548

 ASSI { 1018}
   (( segid "   A" and resid 123  and name  HA  ))
   (( segid "   A" and resid 38   and name  HN  ))
      2.712     0.919     0.919 peak  1018 weight  1.00000E+00 volume  6.69746E+07 ppm1      8.921 ppm2      4.636

 ASSI { 2905}
   (( segid "   A" and resid 123  and name  HG11))
   (( segid "   A" and resid 38   and name  HN  ))
      3.200     1.280     1.280 peak  2905 weight  1.00000E+00 volume  2.48118E+07 ppm1      8.924 ppm2      1.418

 ASSI { 2238}
   (  segid "   A" and resid 123  and name  HG2#)
   (  segid "   A" and resid 40   and name  HB# )
      1.941     0.471     0.471 peak  2238 weight  1.00000E+00 volume  1.04839E+07 ppm1      0.693 ppm2      1.051

 ASSI { 1471}
   (  segid "   A" and resid 123  and name  HG2#)
   (( segid "   A" and resid 40   and name  HN  ))
      2.485     0.772     0.772 peak  1471 weight  1.00000E+00 volume  1.13087E+08 ppm1      8.833 ppm2      0.720

 ASSI { 3820}
   (( segid "   A" and resid 123  and name  HB  ))
   (  segid "   A" and resid 116  and name  HG2#)
      1.992     0.496     0.496 peak  3820 weight  1.00000E+00 volume  8.95900E+06 ppm1      0.767 ppm2      1.444

 ASSI { 4023}
   (( segid "   A" and resid 123  and name  HB  ))
   (( segid "   A" and resid 116  and name  HB  ))
      2.502     0.782     0.782 peak  4023 weight  1.00000E+00 volume  2.28400E+06 ppm1      1.442 ppm2      2.066

 ASSI {  700}
   (( segid "   A" and resid 123  and name  HB  ))
   (  segid "   A" and resid 123  and name  HG2#)
      1.812     0.411     0.411 peak   700 weight  1.00000E+00 volume  6.18298E+06 ppm1      1.448 ppm2      0.709

 ASSI { 2749}
   (  segid "   A" and resid 123  and name  HD1#)
   (( segid "   A" and resid 123  and name  HG12))
      1.979     0.490     0.490 peak  2749 weight  1.00000E+00 volume  9.30856E+06 ppm1      0.683 ppm2      0.577

 ASSI { 2759}
   (( segid "   A" and resid 123  and name  HG12))
   (( segid "   A" and resid 123  and name  HG11))
      2.396     0.717     0.717 peak  2759 weight  1.00000E+00 volume  2.96115E+06 ppm1      0.573 ppm2      1.409

 ASSI { 2760}
   (  segid "   A" and resid 123  and name  HG2#)
   (( segid "   A" and resid 123  and name  HG12))
      2.052     0.526     0.526 peak  2760 weight  1.00000E+00 volume  7.50730E+06 ppm1      0.574 ppm2      0.679

 ASSI { 2761}
   (  segid "   A" and resid 123  and name  HD1#)
   (( segid "   A" and resid 123  and name  HG11))
      2.075     0.538     0.538 peak  2761 weight  1.00000E+00 volume  7.00417E+06 ppm1      1.395 ppm2      0.675

 ASSI { 4106}
   (  segid "   A" and resid 123  and name  HG2#)
   (( segid "   A" and resid 123  and name  HA  ))
      2.198     0.604     0.604 peak  4106 weight  1.00000E+00 volume  4.96800E+06 ppm1      0.691 ppm2      4.651

 ASSI {  869}
   (( segid "   A" and resid 123  and name  HN  ))
   (( segid "   A" and resid 123  and name  HA  ))
      2.757     0.950     0.950 peak   869 weight  1.00000E+00 volume  6.05980E+07 ppm1      9.125 ppm2      4.637

 ASSI {  870}
   (( segid "   A" and resid 123  and name  HB  ))
   (( segid "   A" and resid 123  and name  HN  ))
      2.297     0.659     0.659 peak   870 weight  1.00000E+00 volume  1.81447E+08 ppm1      9.128 ppm2      1.421

 ASSI { 4029}
   (  segid "   A" and resid 123  and name  HG2#)
   (( segid "   A" and resid 124  and name  HA  ))
      2.627     0.862     0.862 peak  4029 weight  1.00000E+00 volume  1.70500E+06 ppm1      5.560 ppm2      0.730

 ASSI {  165}
   (( segid "   A" and resid 123  and name  HN  ))
   (( segid "   A" and resid 124  and name  HN  ))
      3.226     1.301     1.301 peak   165 weight  1.00000E+00 volume  2.36287E+07 ppm1      8.784 ppm2      9.124

 ASSI {  973}
   (  segid "   A" and resid 123  and name  HG2#)
   (( segid "   A" and resid 124  and name  HN  ))
      2.378     0.707     0.707 peak   973 weight  1.00000E+00 volume  1.47484E+08 ppm1      8.785 ppm2      0.682

 ASSI {  588}
   (( segid "   A" and resid 123  and name  HA  ))
   (( segid "   A" and resid 124  and name  HN  ))
      2.293     0.657     0.657 peak   588 weight  1.00000E+00 volume  1.83254E+08 ppm1      8.785 ppm2      4.637

 ASSI { 2812}
   (( segid "   A" and resid 123  and name  HG12))
   (( segid "   A" and resid 124  and name  HN  ))
      2.921     1.066     1.066 peak  2812 weight  1.00000E+00 volume  4.29100E+07 ppm1      8.784 ppm2      0.554

 ASSI {  977}
   (  segid "   A" and resid 123  and name  HG2#)
   (( segid "   A" and resid 125  and name  HN  ))
      2.626     0.862     0.862 peak   977 weight  1.00000E+00 volume  8.11507E+07 ppm1      9.515 ppm2      0.708

 ASSI { 4303}
   (( segid "   A" and resid 124  and name  HB1 ))
   (  segid "   A" and resid 39   and name  HD# )
      2.814     0.990     0.990 peak  4303 weight  1.00000E+00 volume  1.12833E+06 ppm1      3.036 ppm2      7.090

 ASSI { 3912}
   (( segid "   A" and resid 124  and name  HB2 ))
   (  segid "   A" and resid 104  and name  HD1#)
      2.734     0.934     0.934 peak  3912 weight  1.00000E+00 volume  1.34100E+06 ppm1      0.623 ppm2      2.971

 ASSI { 2764}
   (( segid "   A" and resid 124  and name  HB2 ))
   (( segid "   A" and resid 113  and name  HN  ))
      3.610     1.629     1.629 peak  2764 weight  1.00000E+00 volume  1.20400E+07 ppm1      7.275 ppm2      2.951

 ASSI { 3982}
   (( segid "   A" and resid 124  and name  HB1 ))
   (  segid "   A" and resid 114  and name  HB# )
      2.466     0.760     0.760 peak  3982 weight  1.00000E+00 volume  2.49000E+06 ppm1      1.493 ppm2      3.035

 ASSI { 2772}
   (( segid "   A" and resid 124  and name  HA  ))
   (( segid "   A" and resid 115  and name  HN  ))
      3.128     1.223     1.223 peak  2772 weight  1.00000E+00 volume  2.84600E+07 ppm1      9.718 ppm2      5.539

 ASSI { 3990}
   (( segid "   A" and resid 124  and name  HA  ))
   (  segid "   A" and resid 116  and name  HD1#)
      2.808     0.985     0.985 peak  3990 weight  1.00000E+00 volume  1.14300E+06 ppm1      0.779 ppm2      5.523

 ASSI { 2064}
   (( segid "   A" and resid 124  and name  HA  ))
   (( segid "   A" and resid 116  and name  HN  ))
      3.022     1.141     1.141 peak  2064 weight  1.00000E+00 volume  3.49879E+07 ppm1      8.665 ppm2      5.535

 ASSI { 2768}
   (( segid "   A" and resid 124  and name  HB1 ))
   (( segid "   A" and resid 124  and name  HB2 ))
      1.980     0.490     0.490 peak  2768 weight  1.00000E+00 volume  9.28471E+06 ppm1      3.039 ppm2      2.975

 ASSI { 2773}
   (( segid "   A" and resid 124  and name  HB1 ))
   (( segid "   A" and resid 124  and name  HA  ))
      2.665     0.888     0.888 peak  2773 weight  1.00000E+00 volume  1.56101E+06 ppm1      3.034 ppm2      5.542

 ASSI { 2763}
   (( segid "   A" and resid 124  and name  HB2 ))
   (( segid "   A" and resid 124  and name  HA  ))
      2.387     0.712     0.712 peak  2763 weight  1.00000E+00 volume  3.02307E+06 ppm1      5.561 ppm2      2.991

 ASSI {  871}
   (( segid "   A" and resid 124  and name  HA  ))
   (( segid "   A" and resid 124  and name  HN  ))
      2.722     0.926     0.926 peak   871 weight  1.00000E+00 volume  6.55007E+07 ppm1      8.784 ppm2      5.519

 ASSI {  872}
   (( segid "   A" and resid 124  and name  HB1 ))
   (( segid "   A" and resid 124  and name  HN  ))
      2.629     0.864     0.864 peak   872 weight  1.00000E+00 volume  8.07642E+07 ppm1      8.784 ppm2      3.004

 ASSI { 4033}
   (( segid "   A" and resid 124  and name  HA  ))
   (  segid "   A" and resid 125  and name  HG1#)
      2.701     0.912     0.912 peak  4033 weight  1.00000E+00 volume  1.44300E+06 ppm1      1.272 ppm2      5.546

 ASSI {  590}
   (( segid "   A" and resid 124  and name  HB2 ))
   (( segid "   A" and resid 125  and name  HN  ))
      2.645     0.875     0.875 peak   590 weight  1.00000E+00 volume  7.77387E+07 ppm1      9.513 ppm2      2.966

 ASSI {  591}
   (( segid "   A" and resid 124  and name  HA  ))
   (( segid "   A" and resid 125  and name  HN  ))
      2.155     0.580     0.580 peak   591 weight  1.00000E+00 volume  2.66138E+08 ppm1      9.512 ppm2      5.543

 ASSI { 1737}
   (  segid "   A" and resid 125  and name  HG1#)
   (  segid "   A" and resid 40   and name  HB# )
      1.915     0.458     0.458 peak  1737 weight  1.00000E+00 volume  1.13552E+07 ppm1      1.263 ppm2      1.030

 ASSI { 4047}
   (  segid "   A" and resid 125  and name  HG2#)
   (( segid "   A" and resid 112  and name  HN  ))
      2.955     1.092     1.092 peak  4047 weight  1.00000E+00 volume  8.40700E+05 ppm1      1.381 ppm2      9.259

 ASSI { 3989}
   (  segid "   A" and resid 125  and name  HG1#)
   (  segid "   A" and resid 116  and name  HD1#)
      1.877     0.440     0.440 peak  3989 weight  1.00000E+00 volume  1.28000E+07 ppm1      0.779 ppm2      1.287

 ASSI {  162}
   (( segid "   A" and resid 125  and name  HN  ))
   (( segid "   A" and resid 124  and name  HN  ))
      2.975     1.106     1.106 peak   162 weight  1.00000E+00 volume  3.84271E+07 ppm1      9.511 ppm2      8.782

 ASSI {  875}
   (( segid "   A" and resid 125  and name  HA  ))
   (( segid "   A" and resid 124  and name  HN  ))
      3.349     1.402     1.402 peak   875 weight  1.00000E+00 volume  1.88863E+07 ppm1      8.784 ppm2      4.817

 ASSI { 2781}
   (( segid "   A" and resid 125  and name  HB  ))
   (( segid "   A" and resid 125  and name  HA  ))
      2.423     0.734     0.734 peak  2781 weight  1.00000E+00 volume  2.76647E+06 ppm1      2.202 ppm2      4.859

 ASSI {  874}
   (( segid "   A" and resid 125  and name  HB  ))
   (( segid "   A" and resid 125  and name  HN  ))
      2.416     0.729     0.729 peak   874 weight  1.00000E+00 volume  1.34089E+08 ppm1      9.512 ppm2      2.200

 ASSI { 2788}
   (  segid "   A" and resid 125  and name  HG1#)
   (( segid "   A" and resid 125  and name  HB  ))
      2.203     0.607     0.607 peak  2788 weight  1.00000E+00 volume  4.89487E+06 ppm1      1.278 ppm2      2.209

 ASSI { 2779}
   (  segid "   A" and resid 125  and name  HG2#)
   (( segid "   A" and resid 125  and name  HB  ))
      2.055     0.528     0.528 peak  2779 weight  1.00000E+00 volume  7.43450E+06 ppm1      2.209 ppm2      1.395

 ASSI { 2803}
   (  segid "   A" and resid 125  and name  HG2#)
   (( segid "   A" and resid 125  and name  HA  ))
      2.287     0.654     0.654 peak  2803 weight  1.00000E+00 volume  3.91617E+06 ppm1      1.384 ppm2      4.831

 ASSI {  873}
   (( segid "   A" and resid 125  and name  HA  ))
   (( segid "   A" and resid 125  and name  HN  ))
      2.773     0.961     0.961 peak   873 weight  1.00000E+00 volume  5.86260E+07 ppm1      9.512 ppm2      4.819

 ASSI { 2155}
   (  segid "   A" and resid 125  and name  HG1#)
   (( segid "   A" and resid 125  and name  HN  ))
      2.279     0.649     0.649 peak  2155 weight  1.00000E+00 volume  1.90065E+08 ppm1      9.512 ppm2      1.269

 ASSI { 4046}
   (  segid "   A" and resid 125  and name  HG2#)
   (( segid "   A" and resid 126  and name  HN  ))
      2.482     0.770     0.770 peak  4046 weight  1.00000E+00 volume  2.39400E+06 ppm1      1.383 ppm2      8.594

 ASSI {  327}
   (( segid "   A" and resid 125  and name  HN  ))
   (( segid "   A" and resid 126  and name  HN  ))
      3.313     1.372     1.372 peak   327 weight  1.00000E+00 volume  2.01474E+07 ppm1      8.611 ppm2      9.501

 ASSI {  592}
   (( segid "   A" and resid 125  and name  HA  ))
   (( segid "   A" and resid 126  and name  HN  ))
      2.262     0.639     0.639 peak   592 weight  1.00000E+00 volume  1.99110E+08 ppm1      8.607 ppm2      4.816

 ASSI {  593}
   (( segid "   A" and resid 125  and name  HB  ))
   (( segid "   A" and resid 126  and name  HN  ))
      3.316     1.375     1.375 peak   593 weight  1.00000E+00 volume  2.00248E+07 ppm1      8.613 ppm2      2.184

 ASSI { 4299}
   (  segid "   A" and resid 126  and name  HG2#)
   (  segid "   A" and resid 39   and name  HD# )
      2.405     0.723     0.723 peak  4299 weight  1.00000E+00 volume  2.89501E+06 ppm1      0.917 ppm2      7.085

 ASSI { 4059}
   (  segid "   A" and resid 126  and name  HD1#)
   (( segid "   A" and resid 40   and name  HA  ))
      2.891     1.045     1.045 peak  4059 weight  1.00000E+00 volume  9.59500E+05 ppm1      1.137 ppm2      4.627

 ASSI { 4061}
   (  segid "   A" and resid 126  and name  HD1#)
   (( segid "   A" and resid 41   and name  HA  ))
      2.569     0.825     0.825 peak  4061 weight  1.00000E+00 volume  1.94800E+06 ppm1      1.143 ppm2      5.040

 ASSI { 2820}
   (( segid "   A" and resid 126  and name  HN  ))
   (( segid "   A" and resid 41   and name  HA  ))
      2.642     0.873     0.873 peak  2820 weight  1.00000E+00 volume  7.82400E+07 ppm1      8.607 ppm2      5.008

 ASSI { 2454}
   (  segid "   A" and resid 126  and name  HD1#)
   (( segid "   A" and resid 42   and name  HN  ))
      3.302     1.363     1.363 peak  2454 weight  1.00000E+00 volume  2.05700E+07 ppm1      7.053 ppm2      1.154

 ASSI { 2481}
   (  segid "   A" and resid 126  and name  HG2#)
   (  segid "   A" and resid 109  and name  HB# )
      2.132     0.568     0.568 peak  2481 weight  1.00000E+00 volume  5.16789E+06 ppm1      1.493 ppm2      0.909

 ASSI { 2822}
   (( segid "   A" and resid 126  and name  HB  ))
   (  segid "   A" and resid 109  and name  HB# )
      2.151     0.578     0.578 peak  2822 weight  1.00000E+00 volume  4.74140E+06 ppm1      1.918 ppm2      1.485

 ASSI { 4056}
   (  segid "   A" and resid 126  and name  HD1#)
   (  segid "   A" and resid 109  and name  HB# )
      2.535     0.803     0.803 peak  4056 weight  1.00000E+00 volume  2.11200E+06 ppm1      1.141 ppm2      1.493

 ASSI { 2750}
   (( segid "   A" and resid 126  and name  HA  ))
   (( segid "   A" and resid 110  and name  HN  ))
      2.795     0.977     0.977 peak  2750 weight  1.00000E+00 volume  1.82200E+07 ppm1      8.792 ppm2      5.587

 ASSI { 2021}
   (( segid "   A" and resid 126  and name  HB  ))
   (( segid "   A" and resid 110  and name  HN  ))
      2.959     1.094     1.094 peak  2021 weight  1.00000E+00 volume  3.96946E+07 ppm1      8.794 ppm2      1.903

 ASSI { 2759}
   (  segid "   A" and resid 126  and name  HG2#)
   (( segid "   A" and resid 110  and name  HN  ))
      2.938     1.079     1.079 peak  2759 weight  1.00000E+00 volume  4.14600E+07 ppm1      8.791 ppm2      0.871

 ASSI { 2029}
   (( segid "   A" and resid 126  and name  HB  ))
   (( segid "   A" and resid 112  and name  HN  ))
      3.615     1.633     1.633 peak  2029 weight  1.00000E+00 volume  1.19457E+07 ppm1      9.289 ppm2      1.890

 ASSI { 2760}
   (( segid "   A" and resid 126  and name  HA  ))
   (( segid "   A" and resid 112  and name  HN  ))
      2.679     0.897     0.897 peak  2760 weight  1.00000E+00 volume  5.19200E+07 ppm1      9.284 ppm2      5.599

 ASSI { 4060}
   (  segid "   A" and resid 126  and name  HD1#)
   (( segid "   A" and resid 125  and name  HA  ))
      2.773     0.962     0.962 peak  4060 weight  1.00000E+00 volume  1.23000E+06 ppm1      1.147 ppm2      4.799

 ASSI { 4070}
   (  segid "   A" and resid 126  and name  HG2#)
   (( segid "   A" and resid 125  and name  HA  ))
      2.675     0.894     0.894 peak  4070 weight  1.00000E+00 volume  1.52800E+06 ppm1      0.913 ppm2      4.789

 ASSI { 2818}
   (  segid "   A" and resid 126  and name  HD1#)
   (( segid "   A" and resid 125  and name  HN  ))
      3.587     1.608     1.608 peak  2818 weight  1.00000E+00 volume  1.25100E+07 ppm1      9.509 ppm2      1.123

 ASSI {   60}
   (( segid "   A" and resid 126  and name  HG11))
   (( segid "   A" and resid 126  and name  HG12))
      2.051     0.526     0.526 peak    60 weight  1.00000E+00 volume  7.51415E+06 ppm1      0.834 ppm2      1.325

 ASSI { 2051}
   (( segid "   A" and resid 126  and name  HB  ))
   (( segid "   A" and resid 126  and name  HA  ))
      2.565     0.822     0.822 peak  2051 weight  1.00000E+00 volume  1.65251E+06 ppm1      1.917 ppm2      5.618

 ASSI { 2819}
   (( segid "   A" and resid 126  and name  HA  ))
   (  segid "   A" and resid 126  and name  HG2#)
      2.190     0.600     0.600 peak  2819 weight  1.00000E+00 volume  3.69857E+06 ppm1      5.619 ppm2      0.909

 ASSI { 2820}
   (  segid "   A" and resid 126  and name  HD1#)
   (( segid "   A" and resid 126  and name  HA  ))
      2.844     1.011     1.011 peak  2820 weight  1.00000E+00 volume  1.05695E+06 ppm1      5.623 ppm2      1.143

 ASSI { 2823}
   (  segid "   A" and resid 126  and name  HD1#)
   (( segid "   A" and resid 126  and name  HB  ))
      2.439     0.744     0.744 peak  2823 weight  1.00000E+00 volume  2.65656E+06 ppm1      1.920 ppm2      1.158

 ASSI { 2830}
   (  segid "   A" and resid 126  and name  HD1#)
   (  segid "   A" and resid 126  and name  HG2#)
      1.923     0.462     0.462 peak  2830 weight  1.00000E+00 volume  9.03098E+06 ppm1      1.140 ppm2      0.924

 ASSI { 2831}
   (( segid "   A" and resid 126  and name  HG11))
   (  segid "   A" and resid 126  and name  HD1#)
      2.061     0.531     0.531 peak  2831 weight  1.00000E+00 volume  7.31208E+06 ppm1      1.143 ppm2      0.809

 ASSI { 2853}
   (( segid "   A" and resid 126  and name  HB  ))
   (  segid "   A" and resid 126  and name  HG2#)
      2.138     0.571     0.571 peak  2853 weight  1.00000E+00 volume  5.86265E+06 ppm1      0.915 ppm2      1.916

 ASSI {  979}
   (  segid "   A" and resid 126  and name  HG2#)
   (( segid "   A" and resid 126  and name  HN  ))
      2.517     0.792     0.792 peak   979 weight  1.00000E+00 volume  1.04693E+08 ppm1      8.606 ppm2      0.899

 ASSI { 2824}
   (( segid "   A" and resid 126  and name  HG11))
   (( segid "   A" and resid 126  and name  HB  ))
      2.207     0.609     0.609 peak  2824 weight  1.00000E+00 volume  3.46219E+06 ppm1      1.921 ppm2      0.784

 ASSI {  879}
   (( segid "   A" and resid 126  and name  HA  ))
   (( segid "   A" and resid 126  and name  HN  ))
      2.872     1.031     1.031 peak   879 weight  1.00000E+00 volume  4.74943E+07 ppm1      8.608 ppm2      5.588

 ASSI {  880}
   (( segid "   A" and resid 126  and name  HB  ))
   (( segid "   A" and resid 126  and name  HN  ))
      2.980     1.110     1.110 peak   880 weight  1.00000E+00 volume  3.80254E+07 ppm1      8.607 ppm2      1.900

 ASSI { 2163}
   (( segid "   A" and resid 126  and name  HG12))
   (( segid "   A" and resid 126  and name  HN  ))
      2.170     0.589     0.589 peak  2163 weight  1.00000E+00 volume  2.55074E+08 ppm1      8.607 ppm2      1.338

 ASSI { 2164}
   (  segid "   A" and resid 126  and name  HD1#)
   (( segid "   A" and resid 126  and name  HN  ))
      2.695     0.908     0.908 peak  2164 weight  1.00000E+00 volume  6.96024E+07 ppm1      8.606 ppm2      1.126

 ASSI { 4051}
   (( segid "   A" and resid 126  and name  HA  ))
   (( segid "   A" and resid 127  and name  HB1 ))
      2.923     1.068     1.068 peak  4051 weight  1.00000E+00 volume  8.97700E+05 ppm1      5.618 ppm2      3.206

 ASSI {  876}
   (( segid "   A" and resid 126  and name  HB  ))
   (( segid "   A" and resid 127  and name  HN  ))
      2.297     0.659     0.659 peak   876 weight  1.00000E+00 volume  1.81477E+08 ppm1      8.077 ppm2      1.902

 ASSI {  883}
   (( segid "   A" and resid 126  and name  HN  ))
   (( segid "   A" and resid 127  and name  HA  ))
      3.374     1.423     1.423 peak   883 weight  1.00000E+00 volume  1.80652E+07 ppm1      8.608 ppm2      4.572

 ASSI {  877}
   (( segid "   A" and resid 126  and name  HA  ))
   (( segid "   A" and resid 127  and name  HN  ))
      2.200     0.605     0.605 peak   877 weight  1.00000E+00 volume  2.35077E+08 ppm1      8.077 ppm2      5.597

 ASSI { 2827}
   (( segid "   A" and resid 126  and name  HG12))
   (( segid "   A" and resid 127  and name  HN  ))
      2.642     0.873     0.873 peak  2827 weight  1.00000E+00 volume  7.82900E+07 ppm1      8.076 ppm2      1.336

 ASSI { 2567}
   (( segid "   A" and resid 126  and name  HB  ))
   (( segid "   A" and resid 128  and name  HN  ))
      2.270     0.644     0.644 peak  2567 weight  1.00000E+00 volume  1.94900E+08 ppm1      7.348 ppm2      1.881

 ASSI { 1706}
   (( segid "   A" and resid 126  and name  HG12))
   (( segid "   A" and resid 128  and name  HN  ))
      2.496     0.779     0.779 peak  1706 weight  1.00000E+00 volume  1.10089E+08 ppm1      7.341 ppm2      1.329

 ASSI { 2915}
   (( segid "   A" and resid 126  and name  HA  ))
   (( segid "   A" and resid 128  and name  HN  ))
      2.955     1.091     1.091 peak  2915 weight  1.00000E+00 volume  4.00239E+07 ppm1      7.345 ppm2      5.592

 ASSI { 2844}
   (( segid "   A" and resid 127  and name  HA  ))
   (( segid "   A" and resid 44   and name  HN  ))
      3.156     1.245     1.245 peak  2844 weight  1.00000E+00 volume  2.69800E+07 ppm1      8.027 ppm2      4.533

 ASSI { 2826}
   (( segid "   A" and resid 127  and name  HN  ))
   (  segid "   A" and resid 109  and name  HB# )
      2.358     0.695     0.695 peak  2826 weight  1.00000E+00 volume  1.55100E+08 ppm1      8.077 ppm2      1.491

 ASSI {  172}
   (( segid "   A" and resid 127  and name  HN  ))
   (( segid "   A" and resid 110  and name  HN  ))
      2.742     0.940     0.940 peak   172 weight  1.00000E+00 volume  5.60897E+07 ppm1      8.793 ppm2      8.075

 ASSI {  397}
   (( segid "   A" and resid 127  and name  HN  ))
   (( segid "   A" and resid 112  and name  HN  ))
      3.320     1.378     1.378 peak   397 weight  1.00000E+00 volume  1.99012E+07 ppm1      9.283 ppm2      8.070

 ASSI {  403}
   (( segid "   A" and resid 127  and name  HN  ))
   (( segid "   A" and resid 126  and name  HN  ))
      3.140     1.232     1.232 peak   403 weight  1.00000E+00 volume  2.78023E+07 ppm1      8.074 ppm2      8.617

 ASSI { 2876}
   (( segid "   A" and resid 127  and name  HB2 ))
   (( segid "   A" and resid 127  and name  HB1 ))
      2.209     0.610     0.610 peak  2876 weight  1.00000E+00 volume  4.81434E+06 ppm1      3.240 ppm2      2.477

 ASSI { 2878}
   (( segid "   A" and resid 127  and name  HB1 ))
   (( segid "   A" and resid 127  and name  HA  ))
      2.394     0.716     0.716 peak  2878 weight  1.00000E+00 volume  2.97290E+06 ppm1      3.245 ppm2      4.565

 ASSI { 2879}
   (( segid "   A" and resid 127  and name  HB2 ))
   (( segid "   A" and resid 127  and name  HA  ))
      2.561     0.820     0.820 peak  2879 weight  1.00000E+00 volume  1.98538E+06 ppm1      2.470 ppm2      4.560

 ASSI {  881}
   (( segid "   A" and resid 127  and name  HN  ))
   (( segid "   A" and resid 127  and name  HA  ))
      2.443     0.746     0.746 peak   881 weight  1.00000E+00 volume  1.25163E+08 ppm1      8.076 ppm2      4.551

 ASSI {  882}
   (( segid "   A" and resid 127  and name  HN  ))
   (( segid "   A" and resid 127  and name  HB2 ))
      2.604     0.848     0.848 peak   882 weight  1.00000E+00 volume  8.54238E+07 ppm1      8.077 ppm2      2.454

 ASSI { 1179}
   (( segid "   A" and resid 127  and name  HN  ))
   (( segid "   A" and resid 127  and name  HB1 ))
      2.606     0.849     0.849 peak  1179 weight  1.00000E+00 volume  8.51232E+07 ppm1      8.077 ppm2      3.223

 ASSI { 2825}
   (( segid "   A" and resid 127  and name  HN  ))
   (( segid "   A" and resid 128  and name  HB  ))
      3.401     1.446     1.446 peak  2825 weight  1.00000E+00 volume  1.72000E+07 ppm1      8.080 ppm2      3.574

 ASSI { 3639}
   (( segid "   A" and resid 128  and name  HA  ))
   (  segid "   A" and resid 48   and name  HD# )
      2.594     0.841     0.841 peak  3639 weight  1.00000E+00 volume  1.83800E+06 ppm1      1.806 ppm2      4.462

 ASSI { 2339}
   (  segid "   A" and resid 128  and name  HG2#)
   (( segid "   A" and resid 108  and name  HD21))
      2.606     0.849     0.849 peak  2339 weight  1.00000E+00 volume  7.62200E+07 ppm1      7.639 ppm2      1.175

 ASSI { 1993}
   (  segid "   A" and resid 128  and name  HG2#)
   (( segid "   A" and resid 108  and name  HD22))
      2.672     0.893     0.893 peak  1993 weight  1.00000E+00 volume  7.31264E+07 ppm1      7.154 ppm2      1.180
 OR { 1993}
   (  segid "   A" and resid 53   and name  HG2#)
   (( segid "   A" and resid 108  and name  HD22))

 ASSI { 2744}
   (  segid "   A" and resid 128  and name  HG2#)
   (( segid "   A" and resid 108  and name  HD22))
      2.368     0.701     0.701 peak  2744 weight  1.00000E+00 volume  7.31300E+07 ppm1      7.154 ppm2      1.180

 ASSI { 2568}
   (( segid "   A" and resid 128  and name  HN  ))
   (  segid "   A" and resid 109  and name  HB# )
      2.363     0.698     0.698 peak  2568 weight  1.00000E+00 volume  1.53200E+08 ppm1      7.341 ppm2      1.479

 ASSI { 2891}
   (  segid "   A" and resid 128  and name  HG2#)
   (  segid "   A" and resid 109  and name  HB# )
      2.007     0.503     0.503 peak  2891 weight  1.00000E+00 volume  5.13602E+06 ppm1      1.198 ppm2      1.494

 ASSI {  173}
   (( segid "   A" and resid 128  and name  HN  ))
   (( segid "   A" and resid 110  and name  HN  ))
      3.100     1.201     1.201 peak   173 weight  1.00000E+00 volume  3.00077E+07 ppm1      8.794 ppm2      7.332

 ASSI {  619}
   (( segid "   A" and resid 128  and name  HN  ))
   (( segid "   A" and resid 127  and name  HB2 ))
      3.232     1.306     1.306 peak   619 weight  1.00000E+00 volume  2.33588E+07 ppm1      7.336 ppm2      2.474

 ASSI { 2565}
   (( segid "   A" and resid 128  and name  HN  ))
   (( segid "   A" and resid 127  and name  HA  ))
      2.777     0.964     0.964 peak  2565 weight  1.00000E+00 volume  5.80700E+07 ppm1      7.342 ppm2      4.551

 ASSI {  404}
   (( segid "   A" and resid 128  and name  HN  ))
   (( segid "   A" and resid 127  and name  HN  ))
      2.444     0.747     0.747 peak   404 weight  1.00000E+00 volume  1.25047E+08 ppm1      8.077 ppm2      7.333

 ASSI { 2882}
   (  segid "   A" and resid 128  and name  HG2#)
   (( segid "   A" and resid 128  and name  HB  ))
      2.143     0.574     0.574 peak  2882 weight  1.00000E+00 volume  4.24961E+06 ppm1      3.584 ppm2      1.200

 ASSI { 2897}
   (( segid "   A" and resid 128  and name  HA  ))
   (  segid "   A" and resid 128  and name  HG2#)
      2.107     0.555     0.555 peak  2897 weight  1.00000E+00 volume  6.39054E+06 ppm1      1.197 ppm2      4.445

 ASSI {  884}
   (( segid "   A" and resid 128  and name  HA  ))
   (( segid "   A" and resid 128  and name  HN  ))
      3.195     1.276     1.276 peak   884 weight  1.00000E+00 volume  2.50275E+07 ppm1      7.342 ppm2      4.441

 ASSI {  885}
   (( segid "   A" and resid 128  and name  HN  ))
   (( segid "   A" and resid 128  and name  HB  ))
      2.552     0.814     0.814 peak   885 weight  1.00000E+00 volume  7.49550E+07 ppm1      7.341 ppm2      3.564

 ASSI { 2835}
   (  segid "   A" and resid 128  and name  HG2#)
   (( segid "   A" and resid 129  and name  HN  ))
      2.270     0.644     0.644 peak  2835 weight  1.00000E+00 volume  1.45900E+08 ppm1      8.822 ppm2      1.181

 ASSI {  407}
   (( segid "   A" and resid 128  and name  HN  ))
   (( segid "   A" and resid 129  and name  HN  ))
      2.943     1.082     1.082 peak   407 weight  1.00000E+00 volume  4.10360E+07 ppm1      7.338 ppm2      8.812

 ASSI {  609}
   (( segid "   A" and resid 128  and name  HB  ))
   (( segid "   A" and resid 129  and name  HN  ))
      3.268     1.335     1.335 peak   609 weight  1.00000E+00 volume  2.18798E+07 ppm1      8.819 ppm2      3.572

 ASSI {  610}
   (( segid "   A" and resid 128  and name  HA  ))
   (( segid "   A" and resid 129  and name  HN  ))
      2.324     0.675     0.675 peak   610 weight  1.00000E+00 volume  1.69244E+08 ppm1      8.822 ppm2      4.434

 ASSI {  887}
   (( segid "   A" and resid 128  and name  HN  ))
   (( segid "   A" and resid 129  and name  HA  ))
      3.625     1.642     1.642 peak   887 weight  1.00000E+00 volume  1.17486E+07 ppm1      7.340 ppm2      3.747

 ASSI { 4086}
   (( segid "   A" and resid 129  and name  HA  ))
   (( segid "   A" and resid 41   and name  HB1 ))
      2.494     0.777     0.777 peak  4086 weight  1.00000E+00 volume  2.32700E+06 ppm1      3.767 ppm2      1.581

 ASSI { 4091}
   (  segid "   A" and resid 129  and name  HG2#)
   (( segid "   A" and resid 41   and name  HB2 ))
      2.270     0.644     0.644 peak  4091 weight  1.00000E+00 volume  4.08800E+06 ppm1     -0.085 ppm2      1.572

 ASSI { 2456}
   (  segid "   A" and resid 129  and name  HG2#)
   (( segid "   A" and resid 42   and name  HN  ))
      3.645     1.661     1.661 peak  2456 weight  1.00000E+00 volume  1.13600E+07 ppm1      7.055 ppm2     -0.104

 ASSI { 2921}
   (  segid "   A" and resid 129  and name  HG2#)
   (( segid "   A" and resid 45   and name  HA  ))
      2.470     0.763     0.763 peak  2921 weight  1.00000E+00 volume  2.46570E+06 ppm1     -0.086 ppm2      4.052

 ASSI {  952}
   (  segid "   A" and resid 129  and name  HG2#)
   (  segid "   A" and resid 45   and name  HB# )
      2.279     0.649     0.649 peak   952 weight  1.00000E+00 volume  3.30956E+06 ppm1      1.351 ppm2     -0.095

 ASSI { 3668}
   (  segid "   A" and resid 129  and name  HG2#)
   (( segid "   A" and resid 46   and name  HA  ))
      2.440     0.744     0.744 peak  3668 weight  1.00000E+00 volume  2.65300E+06 ppm1      4.066 ppm2     -0.074

 ASSI { 2480}
   (  segid "   A" and resid 129  and name  HG2#)
   (( segid "   A" and resid 46   and name  HN  ))
      2.932     1.075     1.075 peak  2480 weight  1.00000E+00 volume  4.19200E+07 ppm1      7.926 ppm2     -0.106

 ASSI { 2937}
   (  segid "   A" and resid 129  and name  HG1#)
   (( segid "   A" and resid 49   and name  HA  ))
      2.678     0.897     0.897 peak  2937 weight  1.00000E+00 volume  1.51622E+06 ppm1      0.779 ppm2      4.532

 ASSI { 1054}
   (  segid "   A" and resid 129  and name  HG2#)
   (  segid "   A" and resid 49   and name  HD1#)
      2.304     0.664     0.664 peak  1054 weight  1.00000E+00 volume  3.34273E+06 ppm1      1.022 ppm2     -0.087

 ASSI { 2490}
   (  segid "   A" and resid 129  and name  HG2#)
   (( segid "   A" and resid 49   and name  HN  ))
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 ASSI { 1295}
   (( segid "   A" and resid 129  and name  HB  ))
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 ASSI { 2922}
   (  segid "   A" and resid 129  and name  HG2#)
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   (( segid "   A" and resid 129  and name  HA  ))
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 ASSI {  886}
   (( segid "   A" and resid 129  and name  HN  ))
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   (( segid "   A" and resid 129  and name  HN  ))
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   (  segid "   A" and resid 129  and name  HG2#)
   (( segid "   A" and resid 129  and name  HN  ))
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assign (resid   73 and name N    ) (resid   73 and name CA   )
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assign (resid   73 and name C    ) (resid   74 and name N    )
       (resid   74 and name CA   ) (resid   74 and name C    )    1.0  -84.9   20.0 2
assign (resid   74 and name N    ) (resid   74 and name CA   )
       (resid   74 and name C    ) (resid   75 and name N    )    1.0  129.4   24.4 2
assign (resid   75 and name C    ) (resid   76 and name N    )
       (resid   76 and name CA   ) (resid   76 and name C    )    1.0  -99.4   42.3 2
assign (resid   76 and name N    ) (resid   76 and name CA   )
       (resid   76 and name C    ) (resid   77 and name N    )    1.0  117.4   40.2 2
assign (resid   76 and name C    ) (resid   77 and name N    )
       (resid   77 and name CA   ) (resid   77 and name C    )    1.0 -105.2   45.4 2
assign (resid   77 and name N    ) (resid   77 and name CA   )
       (resid   77 and name C    ) (resid   78 and name N    )    1.0  127.8   20.6 2
assign (resid   77 and name C    ) (resid   78 and name N    )
       (resid   78 and name CA   ) (resid   78 and name C    )    1.0  -77.5   30.8 2
assign (resid   78 and name N    ) (resid   78 and name CA   )
       (resid   78 and name C    ) (resid   79 and name N    )    1.0  144.7   35.9 2
assign (resid   78 and name C    ) (resid   79 and name N    )
       (resid   79 and name CA   ) (resid   79 and name C    )    1.0  -55.6   20.0 2
assign (resid   79 and name N    ) (resid   79 and name CA   )
       (resid   79 and name C    ) (resid   80 and name N    )    1.0  -47.9   22.6 2
assign (resid   79 and name C    ) (resid   80 and name N    )
       (resid   80 and name CA   ) (resid   80 and name C    )    1.0  -58.3   20.0 2
assign (resid   80 and name N    ) (resid   80 and name CA   )
       (resid   80 and name C    ) (resid   81 and name N    )    1.0  -43.1   20.0 2
assign (resid   80 and name C    ) (resid   81 and name N    )
       (resid   81 and name CA   ) (resid   81 and name C    )    1.0  -64.6   20.0 2
assign (resid   81 and name N    ) (resid   81 and name CA   )
       (resid   81 and name C    ) (resid   82 and name N    )    1.0  -42.6   20.0 2
assign (resid   81 and name C    ) (resid   82 and name N    )
       (resid   82 and name CA   ) (resid   82 and name C    )    1.0  -64.9   20.0 2
assign (resid   82 and name N    ) (resid   82 and name CA   )
       (resid   82 and name C    ) (resid   83 and name N    )    1.0  -41.6   20.0 2
assign (resid   82 and name C    ) (resid   83 and name N    )
       (resid   83 and name CA   ) (resid   83 and name C    )    1.0  -63.7   20.0 2
assign (resid   83 and name N    ) (resid   83 and name CA   )
       (resid   83 and name C    ) (resid   84 and name N    )    1.0  -41.4   20.0 2
assign (resid   83 and name C    ) (resid   84 and name N    )
       (resid   84 and name CA   ) (resid   84 and name C    )    1.0  -66.8   20.0 2
assign (resid   84 and name N    ) (resid   84 and name CA   )
       (resid   84 and name C    ) (resid   85 and name N    )    1.0  -40.6   20.0 2
assign (resid   84 and name C    ) (resid   85 and name N    )
       (resid   85 and name CA   ) (resid   85 and name C    )    1.0  -84.2   25.5 2
assign (resid   85 and name N    ) (resid   85 and name CA   )
       (resid   85 and name C    ) (resid   86 and name N    )    1.0  -18.5   28.1 2
assign (resid   85 and name C    ) (resid   86 and name N    )
       (resid   86 and name CA   ) (resid   86 and name C    )    1.0   80.3   24.5 2
assign (resid   86 and name N    ) (resid   86 and name CA   )
       (resid   86 and name C    ) (resid   87 and name N    )    1.0   15.0   32.3 2
assign (resid   86 and name C    ) (resid   87 and name N    )
       (resid   87 and name CA   ) (resid   87 and name C    )    1.0 -119.1   40.7 2
assign (resid   87 and name N    ) (resid   87 and name CA   )
       (resid   87 and name C    ) (resid   88 and name N    )    1.0  157.3   20.0 2
assign (resid   87 and name C    ) (resid   88 and name N    )
       (resid   88 and name CA   ) (resid   88 and name C    )    1.0 -141.0   28.8 2
assign (resid   88 and name N    ) (resid   88 and name CA   )
       (resid   88 and name C    ) (resid   89 and name N    )    1.0  149.5   21.5 2
assign (resid   88 and name C    ) (resid   89 and name N    )
       (resid   89 and name CA   ) (resid   89 and name C    )    1.0 -114.2   40.3 2
assign (resid   89 and name N    ) (resid   89 and name CA   )
       (resid   89 and name C    ) (resid   90 and name N    )    1.0  122.7   21.3 2
assign (resid   89 and name C    ) (resid   90 and name N    )
       (resid   90 and name CA   ) (resid   90 and name C    )    1.0  -81.4   50.1 2
assign (resid   90 and name N    ) (resid   90 and name CA   )
       (resid   90 and name C    ) (resid   91 and name N    )    1.0  158.1   35.3 2
assign (resid   90 and name C    ) (resid   91 and name N    )
       (resid   91 and name CA   ) (resid   91 and name C    )    1.0  -59.2   20.0 2
assign (resid   91 and name N    ) (resid   91 and name CA   )
       (resid   91 and name C    ) (resid   92 and name N    )    1.0  -28.1   20.0 2
assign (resid   91 and name C    ) (resid   92 and name N    )
       (resid   92 and name CA   ) (resid   92 and name C    )    1.0  -75.5   20.0 2
assign (resid   92 and name N    ) (resid   92 and name CA   )
       (resid   92 and name C    ) (resid   93 and name N    )    1.0  -16.5   32.1 2
assign (resid   93 and name C    ) (resid   94 and name N    )
       (resid   94 and name CA   ) (resid   94 and name C    )    1.0  -73.4   23.6 2
assign (resid   94 and name N    ) (resid   94 and name CA   )
       (resid   94 and name C    ) (resid   95 and name N    )    1.0  146.3   21.8 2
assign (resid   94 and name C    ) (resid   95 and name N    )
       (resid   95 and name CA   ) (resid   95 and name C    )    1.0 -110.6   45.1 2
assign (resid   95 and name N    ) (resid   95 and name CA   )
       (resid   95 and name C    ) (resid   96 and name N    )    1.0  150.2   24.8 2
assign (resid   95 and name C    ) (resid   96 and name N    )
       (resid   96 and name CA   ) (resid   96 and name C    )    1.0 -122.6   23.6 2
assign (resid   96 and name N    ) (resid   96 and name CA   )
       (resid   96 and name C    ) (resid   97 and name N    )    1.0  131.0   47.2 2
assign (resid   96 and name C    ) (resid   97 and name N    )
       (resid   97 and name CA   ) (resid   97 and name C    )    1.0  -70.7   20.3 2
assign (resid   97 and name N    ) (resid   97 and name CA   )
       (resid   97 and name C    ) (resid   98 and name N    )    1.0  146.6   21.2 2
assign (resid   97 and name C    ) (resid   98 and name N    )
       (resid   98 and name CA   ) (resid   98 and name C    )    1.0 -103.9   43.8 2
assign (resid   98 and name N    ) (resid   98 and name CA   )
       (resid   98 and name C    ) (resid   99 and name N    )    1.0  127.8   38.0 2
assign (resid   98 and name C    ) (resid   99 and name N    )
       (resid   99 and name CA   ) (resid   99 and name C    )    1.0 -128.8   35.9 2
assign (resid   99 and name N    ) (resid   99 and name CA   )
       (resid   99 and name C    ) (resid  100 and name N    )    1.0  155.1   20.0 2
assign (resid  100 and name C    ) (resid  101 and name N    )
       (resid  101 and name CA   ) (resid  101 and name C    )    1.0  -85.3   33.4 2
assign (resid  101 and name N    ) (resid  101 and name CA   )
       (resid  101 and name C    ) (resid  102 and name N    )    1.0  -19.1   34.5 2
assign (resid  102 and name C    ) (resid  103 and name N    )
       (resid  103 and name CA   ) (resid  103 and name C    )    1.0  -69.8   20.0 2
assign (resid  103 and name N    ) (resid  103 and name CA   )
       (resid  103 and name C    ) (resid  104 and name N    )    1.0  151.6   20.0 2
assign (resid  103 and name C    ) (resid  104 and name N    )
       (resid  104 and name CA   ) (resid  104 and name C    )    1.0 -100.7   39.3 2
assign (resid  104 and name N    ) (resid  104 and name CA   )
       (resid  104 and name C    ) (resid  105 and name N    )    1.0  131.2   42.4 2
assign (resid  104 and name C    ) (resid  105 and name N    )
       (resid  105 and name CA   ) (resid  105 and name C    )    1.0 -107.5   38.7 2
assign (resid  105 and name N    ) (resid  105 and name CA   )
       (resid  105 and name C    ) (resid  106 and name N    )    1.0  137.4   30.0 2
assign (resid  105 and name C    ) (resid  106 and name N    )
       (resid  106 and name CA   ) (resid  106 and name C    )    1.0 -111.2   41.0 2
assign (resid  106 and name N    ) (resid  106 and name CA   )
       (resid  106 and name C    ) (resid  107 and name N    )    1.0  137.1   42.6 2
assign (resid  106 and name C    ) (resid  107 and name N    )    
       (resid  107 and name CA   ) (resid  107 and name C    )    1.0   46.7   40.0 2
assign (resid  107 and name N    ) (resid  107 and name CA   )
       (resid  107 and name C    ) (resid  108 and name N    )    1.0 -118.0   60.0 2
assign (resid  108 and name C    ) (resid  109 and name N    )
       (resid  109 and name CA   ) (resid  109 and name C    )    1.0 -109.9   34.7 2
assign (resid  109 and name N    ) (resid  109 and name CA   )
       (resid  109 and name C    ) (resid  110 and name N    )    1.0  142.1   24.0 2
assign (resid  109 and name C    ) (resid  110 and name N    )
       (resid  110 and name CA   ) (resid  110 and name C    )    1.0  -93.6   35.1 2
assign (resid  110 and name N    ) (resid  110 and name CA   )
       (resid  110 and name C    ) (resid  111 and name N    )    1.0  128.8   21.4 2
assign (resid  110 and name C    ) (resid  111 and name N    )
       (resid  111 and name CA   ) (resid  111 and name C    )    1.0  -84.4   20.0 2
assign (resid  111 and name N    ) (resid  111 and name CA   )
       (resid  111 and name C    ) (resid  112 and name N    )    1.0  126.6   36.5 2
assign (resid  111 and name C    ) (resid  112 and name N    )
       (resid  112 and name CA   ) (resid  112 and name C    )    1.0  -95.9   21.0 2
assign (resid  112 and name N    ) (resid  112 and name CA   )
       (resid  112 and name C    ) (resid  113 and name N    )    1.0  -35.9   20.0 2
assign (resid  112 and name C    ) (resid  113 and name N    )
       (resid  113 and name CA   ) (resid  113 and name C    )    1.0 -139.1   63.5 2
assign (resid  113 and name N    ) (resid  113 and name CA   )
       (resid  113 and name C    ) (resid  114 and name N    )    1.0  140.1   30.5 2
assign (resid  113 and name C    ) (resid  114 and name N    )
       (resid  114 and name CA   ) (resid  114 and name C    )    1.0 -120.0   36.5 2
assign (resid  114 and name N    ) (resid  114 and name CA   )
       (resid  114 and name C    ) (resid  115 and name N    )    1.0  152.3   30.6 2
assign (resid  114 and name C    ) (resid  115 and name N    )
       (resid  115 and name CA   ) (resid  115 and name C    )    1.0   51.2   20.0 2
assign (resid  115 and name N    ) (resid  115 and name CA   )
       (resid  115 and name C    ) (resid  116 and name N    )    1.0   48.7   20.0 2
assign (resid  115 and name C    ) (resid  116 and name N    )
       (resid  116 and name CA   ) (resid  116 and name C    )    1.0  -81.4   32.0 2
assign (resid  116 and name N    ) (resid  116 and name CA   )
       (resid  116 and name C    ) (resid  117 and name N    )    1.0  133.5   21.3 2
assign (resid  116 and name C    ) (resid  117 and name N    )
       (resid  117 and name CA   ) (resid  117 and name C    )    1.0  -94.5   26.1 2
assign (resid  117 and name N    ) (resid  117 and name CA   )
       (resid  117 and name C    ) (resid  118 and name N    )    1.0  128.3   21.7 2
assign (resid  117 and name C    ) (resid  118 and name N    )
       (resid  118 and name CA   ) (resid  118 and name C    )    1.0 -115.3   35.6 2
assign (resid  118 and name N    ) (resid  118 and name CA   )
       (resid  118 and name C    ) (resid  119 and name N    )    1.0  160.9   36.4 2
assign (resid  118 and name C    ) (resid  119 and name N    )
       (resid  119 and name CA   ) (resid  119 and name C    )    1.0  -62.8   20.0 2
assign (resid  119 and name N    ) (resid  119 and name CA   )
       (resid  119 and name C    ) (resid  120 and name N    )    1.0  -33.1   20.0 2
assign (resid  119 and name C    ) (resid  120 and name N    )
       (resid  120 and name CA   ) (resid  120 and name C    )    1.0  -97.5   20.0 2
assign (resid  120 and name N    ) (resid  120 and name CA   )
       (resid  120 and name C    ) (resid  121 and name N    )    1.0    8.5   29.9 2
assign (resid  121 and name C    ) (resid  122 and name N    )
       (resid  122 and name CA   ) (resid  122 and name C    )    1.0 -115.3   41.9 2
assign (resid  122 and name N    ) (resid  122 and name CA   )
       (resid  122 and name C    ) (resid  123 and name N    )    1.0  142.5   21.7 2
assign (resid  122 and name C    ) (resid  123 and name N    )
       (resid  123 and name CA   ) (resid  123 and name C    )    1.0 -123.9   25.6 2
assign (resid  123 and name N    ) (resid  123 and name CA   )
       (resid  123 and name C    ) (resid  124 and name N    )    1.0  141.6   23.9 2
assign (resid  123 and name C    ) (resid  124 and name N    )
       (resid  124 and name CA   ) (resid  124 and name C    )    1.0 -122.5   25.4 2
assign (resid  124 and name N    ) (resid  124 and name CA   )
       (resid  124 and name C    ) (resid  125 and name N    )    1.0  134.0   22.0 2
assign (resid  124 and name C    ) (resid  125 and name N    )
       (resid  125 and name CA   ) (resid  125 and name C    )    1.0  -92.8   26.4 2
assign (resid  125 and name N    ) (resid  125 and name CA   )
       (resid  125 and name C    ) (resid  126 and name N    )    1.0  134.2   24.0 2
assign (resid  125 and name C    ) (resid  126 and name N    )
       (resid  126 and name CA   ) (resid  126 and name C    )    1.0 -131.7   29.4 2
assign (resid  126 and name N    ) (resid  126 and name CA   )
       (resid  126 and name C    ) (resid  127 and name N    )    1.0  163.3   20.0 2
assign (resid  127 and name C    ) (resid  128 and name N    )
       (resid  128 and name CA   ) (resid  128 and name C    )    1.0 -121.9   62.0 2
assign (resid  128 and name N    ) (resid  128 and name CA   )
       (resid  128 and name C    ) (resid  129 and name N    )    1.0  146.2   26.9 2
assign (resid  128 and name C    ) (resid  129 and name N    )
       (resid  129 and name CA   ) (resid  129 and name C    )    1.0  -87.3   20.9 2
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           H1       MET   1 -17.077  12.679  -8.799
    2    H2   MET   1           H2       MET   1 -18.342  12.658  -9.920
    3    H3   MET   1           H3       MET   1 -18.027  11.292  -8.978
    4    HA   MET   1           HA       MET   1 -18.962  13.915  -7.982
    5    HB2  MET   1           HB2      MET   1 -20.716  12.702  -9.166
    6    HB3  MET   1           HB3      MET   1 -20.373  11.253  -8.233
    7    HG2  MET   1           HG2      MET   1 -21.024  12.484  -6.181
    8    HG3  MET   1           HG3      MET   1 -21.499  13.842  -7.199
    9    HE1  MET   1           HE1      MET   1 -22.165  10.124  -6.229
   10    HE2  MET   1           HE2      MET   1 -21.938   9.973  -7.972
   11    HE3  MET   1           HE3      MET   1 -23.528   9.697  -7.262
   12    H    ALA   2           H        ALA   2 -18.585  10.473  -7.105
   13    HA   ALA   2           HA       ALA   2 -18.097  11.327  -4.333
   14    HB1  ALA   2           HB1      ALA   2 -18.883   8.613  -5.389
   15    HB2  ALA   2           HB2      ALA   2 -19.984   9.794  -4.684
   16    HB3  ALA   2           HB3      ALA   2 -18.721   9.065  -3.693
   17    H    THR   3           H        THR   3 -16.375  10.430  -3.163
   18    HA   THR   3           HA       THR   3 -13.979   9.950  -4.600
   19    HB   THR   3           HB       THR   3 -14.620   9.449  -1.681
   20    HG1  THR   3           HG1      THR   3 -14.262  11.725  -3.131
   21   HG21  THR   3          HG21      THR   3 -12.575   8.293  -2.422
   22   HG22  THR   3          HG22      THR   3 -12.223   9.600  -1.293
   23   HG23  THR   3          HG23      THR   3 -11.937   9.825  -3.021
   24    H    ILE   4           H        ILE   4 -12.834   8.021  -4.894
   25    HA   ILE   4           HA       ILE   4 -14.151   5.841  -5.813
   26    HB   ILE   4           HB       ILE   4 -11.472   5.607  -4.443
   27   HG12  ILE   4          HG12      ILE   4 -10.857   5.944  -7.063
   28   HG13  ILE   4          HG13      ILE   4 -12.257   7.001  -6.931
   29   HG21  ILE   4          HG21      ILE   4 -12.693   4.085  -6.739
   30   HG22  ILE   4          HG22      ILE   4 -12.458   3.488  -5.096
   31   HG23  ILE   4          HG23      ILE   4 -11.062   3.860  -6.108
   32   HD11  ILE   4          HD11      ILE   4 -10.227   8.249  -6.575
   33   HD12  ILE   4          HD12      ILE   4  -9.743   7.150  -5.285
   34   HD13  ILE   4          HD13      ILE   4 -11.153   8.186  -5.077
   35    H    VAL   5           H        VAL   5 -12.757   6.107  -2.584
   36    HA   VAL   5           HA       VAL   5 -13.608   3.558  -1.701
   37    HB   VAL   5           HB       VAL   5 -11.711   4.452  -0.635
   38   HG11  VAL   5          HG11      VAL   5 -11.927   6.772  -1.123
   39   HG12  VAL   5          HG12      VAL   5 -11.762   6.591   0.625
   40   HG13  VAL   5          HG13      VAL   5 -13.350   6.897  -0.084
   41   HG21  VAL   5          HG21      VAL   5 -13.060   3.239   0.891
   42   HG22  VAL   5          HG22      VAL   5 -14.063   4.659   1.184
   43   HG23  VAL   5          HG23      VAL   5 -12.388   4.636   1.738
   44    H    ASP   6           H        ASP   6 -14.936   6.789  -1.420
   45    HA   ASP   6           HA       ASP   6 -16.784   6.417   0.619
   46    HB2  ASP   6           HB2      ASP   6 -16.208   8.597  -0.486
   47    HB3  ASP   6           HB3      ASP   6 -17.217   8.117  -1.838
   48    H    ILE   7           H        ILE   7 -17.064   6.017  -2.828
   49    HA   ILE   7           HA       ILE   7 -19.686   5.246  -3.109
   50    HB   ILE   7           HB       ILE   7 -17.354   4.110  -4.646
   51   HG12  ILE   7          HG12      ILE   7 -18.981   6.500  -5.448
   52   HG13  ILE   7          HG13      ILE   7 -17.622   6.690  -4.342
   53   HG21  ILE   7          HG21      ILE   7 -18.958   3.858  -6.464
   54   HG22  ILE   7          HG22      ILE   7 -20.237   4.527  -5.452
   55   HG23  ILE   7          HG23      ILE   7 -19.513   2.974  -5.042
   56   HD11  ILE   7          HD11      ILE   7 -17.016   7.138  -6.672
   57   HD12  ILE   7          HD12      ILE   7 -17.444   5.477  -7.088
   58   HD13  ILE   7          HD13      ILE   7 -16.109   5.795  -5.979
   59    H    ALA   8           H        ALA   8 -17.075   3.404  -1.704
   60    HA   ALA   8           HA       ALA   8 -18.101   0.813  -2.066
   61    HB1  ALA   8           HB1      ALA   8 -16.686   0.189  -0.143
   62    HB2  ALA   8           HB2      ALA   8 -16.396   1.904   0.169
   63    HB3  ALA   8           HB3      ALA   8 -15.828   1.172  -1.331
   64    H    VAL   9           H        VAL   9 -18.712   3.227   0.464
   65    HA   VAL   9           HA       VAL   9 -20.592   1.542   1.857
   66    HB   VAL   9           HB       VAL   9 -20.303   4.544   2.070
   67   HG11  VAL   9          HG11      VAL   9 -21.366   2.506   4.022
   68   HG12  VAL   9          HG12      VAL   9 -22.330   3.653   3.093
   69   HG13  VAL   9          HG13      VAL   9 -21.207   4.237   4.320
   70   HG21  VAL   9          HG21      VAL   9 -18.769   4.144   3.923
   71   HG22  VAL   9          HG22      VAL   9 -18.137   3.477   2.417
   72   HG23  VAL   9          HG23      VAL   9 -18.853   2.408   3.624
   73    H    ASN  10           H        ASN  10 -20.670   3.501  -0.907
   74    HA   ASN  10           HA       ASN  10 -23.489   4.167  -0.768
   75    HB2  ASN  10           HB2      ASN  10 -21.883   5.806  -1.599
   76    HB3  ASN  10           HB3      ASN  10 -21.429   4.687  -2.844
   77   HD21  ASN  10          HD21      ASN  10 -21.843   6.307  -4.307
   78   HD22  ASN  10          HD22      ASN  10 -23.446   6.680  -4.775
   79    H    THR  11           H        THR  11 -21.425   1.827  -2.207
   80    HA   THR  11           HA       THR  11 -22.785   1.190  -4.527
   81    HB   THR  11           HB       THR  11 -21.777  -1.137  -4.189
   82    HG1  THR  11           HG1      THR  11 -21.399  -0.167  -1.764
   83   HG21  THR  11          HG21      THR  11 -20.809   0.612  -5.604
   84   HG22  THR  11          HG22      THR  11 -19.560  -0.332  -4.790
   85   HG23  THR  11          HG23      THR  11 -19.973   1.276  -4.198
   86    HA   PRO  12           HA       PRO  12 -26.365  -0.993  -3.001
   87    HB2  PRO  12           HB2      PRO  12 -26.914  -1.735  -5.748
   88    HB3  PRO  12           HB3      PRO  12 -27.776  -0.588  -4.729
   89    HG2  PRO  12           HG2      PRO  12 -26.313   0.156  -6.894
   90    HG3  PRO  12           HG3      PRO  12 -26.566   1.198  -5.484
   91    HD2  PRO  12           HD2      PRO  12 -24.210  -0.509  -6.181
   92    HD3  PRO  12           HD3      PRO  12 -24.254   1.147  -5.548
   93    H    GLY  13           H        GLY  13 -24.397  -2.459  -2.323
   94    HA2  GLY  13           HA2      GLY  13 -23.929  -4.680  -1.906
   95    HA3  GLY  13           HA3      GLY  13 -25.239  -5.110  -2.996
   96    H    PHE  14           H        PHE  14 -22.278  -3.256  -3.579
   97    HA   PHE  14           HA       PHE  14 -21.689  -4.570  -6.012
   98    HB2  PHE  14           HB2      PHE  14 -20.594  -2.424  -4.521
   99    HB3  PHE  14           HB3      PHE  14 -19.282  -3.546  -4.853
  100    HD1  PHE  14           HD1      PHE  14 -22.083  -1.766  -6.547
  101    HD2  PHE  14           HD2      PHE  14 -18.188  -3.446  -6.883
  102    HE1  PHE  14           HE1      PHE  14 -21.890  -0.853  -8.822
  103    HE2  PHE  14           HE2      PHE  14 -17.988  -2.535  -9.160
  104    HZ   PHE  14           HZ       PHE  14 -19.840  -1.237 -10.131
  105    H    SER  15           H        SER  15 -19.171  -5.329  -6.122
  106    HA   SER  15           HA       SER  15 -19.050  -7.913  -5.107
  107    HB2  SER  15           HB2      SER  15 -16.745  -6.140  -5.947
  108    HB3  SER  15           HB3      SER  15 -16.742  -7.902  -5.893
  109    HG   SER  15           HG       SER  15 -18.052  -7.986  -7.620
  110    H    THR  16           H        THR  16 -17.362  -8.774  -3.643
  111    HA   THR  16           HA       THR  16 -17.589  -7.639  -1.080
  112    HB   THR  16           HB       THR  16 -15.522  -9.675  -1.949
  113    HG1  THR  16           HG1      THR  16 -17.699 -10.286  -2.534
  114   HG21  THR  16          HG21      THR  16 -15.673 -10.451   0.364
  115   HG22  THR  16          HG22      THR  16 -16.854  -9.192   0.720
  116   HG23  THR  16          HG23      THR  16 -15.196  -8.755   0.306
  117    H    LEU  17           H        LEU  17 -15.398  -7.063  -3.642
  118    HA   LEU  17           HA       LEU  17 -13.128  -6.125  -2.400
  119    HB2  LEU  17           HB2      LEU  17 -14.531  -4.984  -4.815
  120    HB3  LEU  17           HB3      LEU  17 -12.888  -4.600  -4.344
  121    HG   LEU  17           HG       LEU  17 -13.867  -7.344  -5.136
  122   HD11  LEU  17          HD11      LEU  17 -12.195  -5.342  -6.647
  123   HD12  LEU  17          HD12      LEU  17 -13.852  -5.813  -7.026
  124   HD13  LEU  17          HD13      LEU  17 -12.547  -6.991  -7.165
  125   HD21  LEU  17          HD21      LEU  17 -11.470  -7.905  -5.177
  126   HD22  LEU  17          HD22      LEU  17 -12.028  -7.467  -3.563
  127   HD23  LEU  17          HD23      LEU  17 -11.102  -6.311  -4.520
  128    H    VAL  18           H        VAL  18 -16.291  -4.540  -2.646
  129    HA   VAL  18           HA       VAL  18 -15.217  -2.014  -1.689
  130    HB   VAL  18           HB       VAL  18 -17.368  -1.099  -1.858
  131   HG11  VAL  18          HG11      VAL  18 -16.416  -1.593  -4.008
  132   HG12  VAL  18          HG12      VAL  18 -18.167  -1.793  -4.075
  133   HG13  VAL  18          HG13      VAL  18 -17.119  -3.210  -3.980
  134   HG21  VAL  18          HG21      VAL  18 -18.520  -3.889  -1.901
  135   HG22  VAL  18          HG22      VAL  18 -19.441  -2.393  -2.076
  136   HG23  VAL  18          HG23      VAL  18 -18.609  -2.749  -0.550
  137    H    THR  19           H        THR  19 -16.644  -4.864  -0.417
  138    HA   THR  19           HA       THR  19 -17.253  -3.683   2.129
  139    HB   THR  19           HB       THR  19 -17.153  -6.631   1.726
  140    HG1  THR  19           HG1      THR  19 -19.288  -6.447   0.789
  141   HG21  THR  19          HG21      THR  19 -18.960  -4.715   3.208
  142   HG22  THR  19          HG22      THR  19 -17.764  -5.806   3.911
  143   HG23  THR  19          HG23      THR  19 -19.207  -6.462   3.137
  144    H    ALA  20           H        ALA  20 -14.665  -5.453   0.664
  145    HA   ALA  20           HA       ALA  20 -13.333  -6.349   2.955
  146    HB1  ALA  20           HB1      ALA  20 -11.452  -6.676   1.554
  147    HB2  ALA  20           HB2      ALA  20 -12.071  -5.523   0.371
  148    HB3  ALA  20           HB3      ALA  20 -12.901  -7.056   0.624
  149    H    VAL  21           H        VAL  21 -13.159  -3.205   1.307
  150    HA   VAL  21           HA       VAL  21 -11.276  -2.179   3.234
  151    HB   VAL  21           HB       VAL  21 -11.144  -0.976   1.243
  152   HG11  VAL  21          HG11      VAL  21 -14.159  -0.763   1.251
  153   HG12  VAL  21          HG12      VAL  21 -13.184  -1.765   0.175
  154   HG13  VAL  21          HG13      VAL  21 -13.090  -0.007   0.070
  155   HG21  VAL  21          HG21      VAL  21 -11.150   0.543   3.107
  156   HG22  VAL  21          HG22      VAL  21 -12.917   0.597   3.101
  157   HG23  VAL  21          HG23      VAL  21 -12.007   1.294   1.754
  158    H    LYS  22           H        LYS  22 -14.772  -2.206   2.875
  159    HA   LYS  22           HA       LYS  22 -15.401  -0.383   4.908
  160    HB2  LYS  22           HB2      LYS  22 -16.840  -2.466   3.393
  161    HB3  LYS  22           HB3      LYS  22 -17.560  -2.033   4.923
  162    HG2  LYS  22           HG2      LYS  22 -17.521   0.317   4.166
  163    HG3  LYS  22           HG3      LYS  22 -16.972  -0.223   2.599
  164    HD2  LYS  22           HD2      LYS  22 -19.535  -1.091   3.898
  165    HD3  LYS  22           HD3      LYS  22 -19.389   0.224   2.737
  166    HE2  LYS  22           HE2      LYS  22 -18.502  -1.355   1.082
  167    HE3  LYS  22           HE3      LYS  22 -18.716  -2.658   2.232
  168    HZ1  LYS  22           HZ1      LYS  22 -20.568  -2.652   0.772
  169    HZ2  LYS  22           HZ2      LYS  22 -20.836  -1.000   1.007
  170    HZ3  LYS  22           HZ3      LYS  22 -21.115  -2.091   2.269
  171    H    VAL  23           H        VAL  23 -14.857  -3.845   4.940
  172    HA   VAL  23           HA       VAL  23 -15.535  -4.169   7.717
  173    HB   VAL  23           HB       VAL  23 -15.815  -6.027   6.139
  174   HG11  VAL  23          HG11      VAL  23 -12.803  -6.024   5.948
  175   HG12  VAL  23          HG12      VAL  23 -13.921  -5.533   4.671
  176   HG13  VAL  23          HG13      VAL  23 -13.895  -7.212   5.227
  177   HG21  VAL  23          HG21      VAL  23 -13.705  -6.580   8.209
  178   HG22  VAL  23          HG22      VAL  23 -14.808  -7.764   7.503
  179   HG23  VAL  23          HG23      VAL  23 -15.436  -6.465   8.520
  180    H    ALA  24           H        ALA  24 -12.653  -3.708   5.826
  181    HA   ALA  24           HA       ALA  24 -10.805  -4.175   7.945
  182    HB1  ALA  24           HB1      ALA  24 -10.299  -4.386   5.516
  183    HB2  ALA  24           HB2      ALA  24  -9.130  -3.459   6.458
  184    HB3  ALA  24           HB3      ALA  24 -10.301  -2.625   5.440
  185    H    ASN  25           H        ASN  25 -12.947  -1.757   7.443
  186    HA   ASN  25           HA       ASN  25 -13.349   0.233   8.320
  187    HB2  ASN  25           HB2      ASN  25 -12.613   0.666  10.440
  188    HB3  ASN  25           HB3      ASN  25 -12.311  -1.052  10.296
  189   HD21  ASN  25          HD21      ASN  25 -10.651   2.081  10.012
  190   HD22  ASN  25          HD22      ASN  25  -9.117   1.490  10.555
  191    H    LEU  26           H        LEU  26 -11.229  -0.155   6.119
  192    HA   LEU  26           HA       LEU  26  -9.805   2.362   6.415
  193    HB2  LEU  26           HB2      LEU  26  -9.528   0.048   4.593
  194    HB3  LEU  26           HB3      LEU  26  -9.015   1.619   3.999
  195    HG   LEU  26           HG       LEU  26  -7.597   1.807   6.102
  196   HD11  LEU  26          HD11      LEU  26  -6.951  -0.380   7.089
  197   HD12  LEU  26          HD12      LEU  26  -8.315  -1.105   6.241
  198   HD13  LEU  26          HD13      LEU  26  -8.594   0.136   7.463
  199   HD21  LEU  26          HD21      LEU  26  -5.815   0.380   5.155
  200   HD22  LEU  26          HD22      LEU  26  -6.603   1.410   3.961
  201   HD23  LEU  26          HD23      LEU  26  -7.002  -0.309   4.043
  202    H    VAL  27           H        VAL  27 -12.805   1.727   5.617
  203    HA   VAL  27           HA       VAL  27 -13.219   3.002   3.156
  204    HB   VAL  27           HB       VAL  27 -14.853   2.040   5.283
  205   HG11  VAL  27          HG11      VAL  27 -15.744   4.720   4.237
  206   HG12  VAL  27          HG12      VAL  27 -15.261   4.362   5.898
  207   HG13  VAL  27          HG13      VAL  27 -16.714   3.620   5.218
  208   HG21  VAL  27          HG21      VAL  27 -15.049   1.188   3.077
  209   HG22  VAL  27          HG22      VAL  27 -15.356   2.801   2.417
  210   HG23  VAL  27          HG23      VAL  27 -16.566   2.021   3.434
  211    H    GLU  28           H        GLU  28 -12.892   4.251   6.407
  212    HA   GLU  28           HA       GLU  28 -13.179   6.986   5.516
  213    HB2  GLU  28           HB2      GLU  28 -12.439   7.441   7.941
  214    HB3  GLU  28           HB3      GLU  28 -14.006   6.704   7.647
  215    HG2  GLU  28           HG2      GLU  28 -13.055   4.508   8.112
  216    HG3  GLU  28           HG3      GLU  28 -11.496   5.262   8.460
  217    H    ALA  29           H        ALA  29 -10.619   4.743   5.773
  218    HA   ALA  29           HA       ALA  29  -8.537   6.629   6.219
  219    HB1  ALA  29           HB1      ALA  29  -8.275   3.801   5.232
  220    HB2  ALA  29           HB2      ALA  29  -8.411   4.259   6.931
  221    HB3  ALA  29           HB3      ALA  29  -7.022   4.791   5.982
  222    H    LEU  30           H        LEU  30  -9.458   4.632   3.426
  223    HA   LEU  30           HA       LEU  30  -7.651   5.636   1.568
  224    HB2  LEU  30           HB2      LEU  30 -10.428   4.785   0.868
  225    HB3  LEU  30           HB3      LEU  30  -8.989   4.680  -0.120
  226    HG   LEU  30           HG       LEU  30  -9.645   3.027   2.301
  227   HD11  LEU  30          HD11      LEU  30 -10.824   2.453   0.247
  228   HD12  LEU  30          HD12      LEU  30  -9.674   1.199   0.711
  229   HD13  LEU  30          HD13      LEU  30  -9.281   2.319  -0.594
  230   HD21  LEU  30          HD21      LEU  30  -7.283   3.442   2.333
  231   HD22  LEU  30          HD22      LEU  30  -7.153   3.051   0.617
  232   HD23  LEU  30          HD23      LEU  30  -7.579   1.791   1.780
  233    H    GLN  31           H        GLN  31 -10.161   7.307   2.990
  234    HA   GLN  31           HA       GLN  31 -11.264   8.756   0.826
  235    HB2  GLN  31           HB2      GLN  31 -11.192   9.434   3.760
  236    HB3  GLN  31           HB3      GLN  31 -12.215  10.213   2.559
  237    HG2  GLN  31           HG2      GLN  31 -12.326   7.264   2.888
  238    HG3  GLN  31           HG3      GLN  31 -13.134   8.303   4.049
  239   HE21  GLN  31          HE21      GLN  31 -14.008   6.380   1.935
  240   HE22  GLN  31          HE22      GLN  31 -15.244   7.257   1.109
  241    H    SER  32           H        SER  32  -8.225   9.020   2.204
  242    HA   SER  32           HA       SER  32  -7.743  11.736   2.438
  243    HB2  SER  32           HB2      SER  32  -5.832   9.651   1.372
  244    HB3  SER  32           HB3      SER  32  -5.397  11.187   2.121
  245    HG   SER  32           HG       SER  32  -5.551  10.241   3.975
  246    HA   PRO  33           HA       PRO  33  -8.338  12.857  -1.884
  247    HB2  PRO  33           HB2      PRO  33  -8.417  15.517  -1.478
  248    HB3  PRO  33           HB3      PRO  33  -9.792  14.465  -1.120
  249    HG2  PRO  33           HG2      PRO  33  -7.794  15.693   0.723
  250    HG3  PRO  33           HG3      PRO  33  -9.527  15.418   0.968
  251    HD2  PRO  33           HD2      PRO  33  -7.526  13.828   2.001
  252    HD3  PRO  33           HD3      PRO  33  -9.197  13.297   1.731
  253    H    GLY  34           H        GLY  34  -5.772  13.596   0.210
  254    HA2  GLY  34           HA2      GLY  34  -4.280  15.298  -1.531
  255    HA3  GLY  34           HA3      GLY  34  -3.694  14.544  -0.061
  256    HA   PRO  35           HA       PRO  35  -1.369  12.459  -3.292
  257    HB2  PRO  35           HB2      PRO  35   0.862  12.085  -1.828
  258    HB3  PRO  35           HB3      PRO  35   0.453  13.627  -2.581
  259    HG2  PRO  35           HG2      PRO  35   0.315  12.808   0.249
  260    HG3  PRO  35           HG3      PRO  35   0.561  14.413  -0.443
  261    HD2  PRO  35           HD2      PRO  35  -1.832  13.361   0.611
  262    HD3  PRO  35           HD3      PRO  35  -1.642  14.871  -0.298
  263    H    PHE  36           H        PHE  36  -0.203  10.369  -3.478
  264    HA   PHE  36           HA       PHE  36  -1.104   8.341  -1.572
  265    HB2  PHE  36           HB2      PHE  36  -1.829   8.480  -4.494
  266    HB3  PHE  36           HB3      PHE  36  -1.739   6.939  -3.654
  267    HD1  PHE  36           HD1      PHE  36  -3.286   6.423  -1.822
  268    HD2  PHE  36           HD2      PHE  36  -3.660   9.978  -4.126
  269    HE1  PHE  36           HE1      PHE  36  -5.590   6.700  -1.011
  270    HE2  PHE  36           HE2      PHE  36  -5.964  10.263  -3.320
  271    HZ   PHE  36           HZ       PHE  36  -6.933   8.621  -1.761
  272    H    THR  37           H        THR  37   0.544   7.061  -1.080
  273    HA   THR  37           HA       THR  37   2.729   6.733  -3.012
  274    HB   THR  37           HB       THR  37   2.651   6.440  -0.004
  275    HG1  THR  37           HG1      THR  37   3.259   8.443  -0.181
  276   HG21  THR  37          HG21      THR  37   4.955   5.878  -1.888
  277   HG22  THR  37          HG22      THR  37   4.068   4.671  -0.957
  278   HG23  THR  37          HG23      THR  37   5.037   5.887  -0.126
  279    H    VAL  38           H        VAL  38   2.798   4.903  -4.069
  280    HA   VAL  38           HA       VAL  38   1.424   2.539  -2.974
  281    HB   VAL  38           HB       VAL  38   2.188   3.105  -5.847
  282   HG11  VAL  38          HG11      VAL  38   2.039   0.740  -5.358
  283   HG12  VAL  38          HG12      VAL  38   0.683   1.241  -6.367
  284   HG13  VAL  38          HG13      VAL  38   0.444   0.965  -4.642
  285   HG21  VAL  38          HG21      VAL  38   0.487   4.685  -5.089
  286   HG22  VAL  38          HG22      VAL  38  -0.517   3.343  -4.537
  287   HG23  VAL  38          HG23      VAL  38  -0.176   3.540  -6.255
  288    H    PHE  39           H        PHE  39   2.795   1.016  -2.168
  289    HA   PHE  39           HA       PHE  39   5.507   0.807  -3.200
  290    HB2  PHE  39           HB2      PHE  39   4.032  -1.093  -1.329
  291    HB3  PHE  39           HB3      PHE  39   5.737  -1.168  -1.723
  292    HD1  PHE  39           HD1      PHE  39   4.475   2.186  -1.261
  293    HD2  PHE  39           HD2      PHE  39   6.055  -1.246   0.699
  294    HE1  PHE  39           HE1      PHE  39   5.008   3.564   0.709
  295    HE2  PHE  39           HE2      PHE  39   6.588   0.128   2.676
  296    HZ   PHE  39           HZ       PHE  39   6.067   2.536   2.679
  297    H    ALA  40           H        ALA  40   5.830  -0.112  -5.076
  298    HA   ALA  40           HA       ALA  40   3.668  -1.774  -6.210
  299    HB1  ALA  40           HB1      ALA  40   4.327   0.148  -7.521
  300    HB2  ALA  40           HB2      ALA  40   4.744  -1.337  -8.376
  301    HB3  ALA  40           HB3      ALA  40   5.998  -0.414  -7.548
  302    HA   PRO  41           HA       PRO  41   6.480  -5.253  -5.623
  303    HB2  PRO  41           HB2      PRO  41   4.641  -7.182  -6.073
  304    HB3  PRO  41           HB3      PRO  41   4.756  -6.326  -4.526
  305    HG2  PRO  41           HG2      PRO  41   2.846  -5.927  -6.791
  306    HG3  PRO  41           HG3      PRO  41   2.545  -5.873  -5.045
  307    HD2  PRO  41           HD2      PRO  41   2.858  -3.651  -6.625
  308    HD3  PRO  41           HD3      PRO  41   3.193  -3.689  -4.883
  309    H    ASN  42           H        ASN  42   7.767  -6.129  -7.152
  310    HA   ASN  42           HA       ASN  42   7.183  -5.684  -9.915
  311    HB2  ASN  42           HB2      ASN  42   9.331  -6.701 -10.393
  312    HB3  ASN  42           HB3      ASN  42   9.497  -5.617  -9.039
  313   HD21  ASN  42          HD21      ASN  42  11.313  -6.554  -8.292
  314   HD22  ASN  42          HD22      ASN  42  11.375  -8.122  -7.598
  315    H    ASP  43           H        ASP  43   7.994  -7.878 -11.310
  316    HA   ASP  43           HA       ASP  43   5.640  -9.433 -11.286
  317    HB2  ASP  43           HB2      ASP  43   8.274  -9.811 -12.701
  318    HB3  ASP  43           HB3      ASP  43   6.912 -10.908 -12.907
  319    H    ASP  44           H        ASP  44   8.664  -9.788  -9.606
  320    HA   ASP  44           HA       ASP  44   8.211 -12.645  -9.131
  321    HB2  ASP  44           HB2      ASP  44  10.502 -11.705  -9.585
  322    HB3  ASP  44           HB3      ASP  44  10.392 -10.889  -8.033
  323    H    ALA  45           H        ALA  45   7.709  -9.595  -7.796
  324    HA   ALA  45           HA       ALA  45   7.273 -10.484  -5.087
  325    HB1  ALA  45           HB1      ALA  45   7.004  -8.242  -4.554
  326    HB2  ALA  45           HB2      ALA  45   6.506  -7.814  -6.192
  327    HB3  ALA  45           HB3      ALA  45   8.199  -8.205  -5.865
  328    H    PHE  46           H        PHE  46   5.449  -9.528  -7.923
  329    HA   PHE  46           HA       PHE  46   2.845  -9.786  -6.900
  330    HB2  PHE  46           HB2      PHE  46   3.638  -8.877  -9.168
  331    HB3  PHE  46           HB3      PHE  46   3.713 -10.552  -9.690
  332    HD1  PHE  46           HD1      PHE  46   1.527  -7.783  -8.762
  333    HD2  PHE  46           HD2      PHE  46   1.685 -11.835 -10.043
  334    HE1  PHE  46           HE1      PHE  46  -0.867  -7.697  -9.316
  335    HE2  PHE  46           HE2      PHE  46  -0.709 -11.757 -10.602
  336    HZ   PHE  46           HZ       PHE  46  -1.988  -9.685 -10.235
  337    H    ALA  47           H        ALA  47   5.309 -11.978  -7.575
  338    HA   ALA  47           HA       ALA  47   3.720 -14.360  -7.857
  339    HB1  ALA  47           HB1      ALA  47   5.953 -15.474  -7.776
  340    HB2  ALA  47           HB2      ALA  47   6.677 -13.875  -7.562
  341    HB3  ALA  47           HB3      ALA  47   5.787 -14.252  -9.036
  342    H    LYS  48           H        LYS  48   4.735 -12.426  -5.314
  343    HA   LYS  48           HA       LYS  48   4.840 -14.523  -3.294
  344    HB2  LYS  48           HB2      LYS  48   4.756 -11.560  -2.821
  345    HB3  LYS  48           HB3      LYS  48   5.393 -12.822  -1.777
  346    HG2  LYS  48           HG2      LYS  48   6.565 -12.038  -4.425
  347    HG3  LYS  48           HG3      LYS  48   7.151 -11.467  -2.861
  348    HD2  LYS  48           HD2      LYS  48   7.003 -14.350  -3.746
  349    HD3  LYS  48           HD3      LYS  48   8.463 -13.353  -3.767
  350    HE2  LYS  48           HE2      LYS  48   8.303 -13.078  -1.333
  351    HE3  LYS  48           HE3      LYS  48   6.856 -14.084  -1.319
  352    HZ1  LYS  48           HZ1      LYS  48   9.585 -14.940  -2.105
  353    HZ2  LYS  48           HZ2      LYS  48   8.207 -15.909  -2.218
  354    HZ3  LYS  48           HZ3      LYS  48   8.753 -15.390  -0.704
  355    H    LEU  49           H        LEU  49   2.698 -12.265  -4.704
  356    HA   LEU  49           HA       LEU  49   0.745 -11.903  -2.808
  357    HB2  LEU  49           HB2      LEU  49   0.623 -12.052  -5.794
  358    HB3  LEU  49           HB3      LEU  49  -0.774 -11.636  -4.826
  359    HG   LEU  49           HG       LEU  49   1.822 -10.121  -5.044
  360   HD11  LEU  49          HD11      LEU  49  -1.013  -9.350  -5.687
  361   HD12  LEU  49          HD12      LEU  49   0.245  -9.750  -6.857
  362   HD13  LEU  49          HD13      LEU  49   0.410  -8.319  -5.839
  363   HD21  LEU  49          HD21      LEU  49   0.771  -8.512  -3.472
  364   HD22  LEU  49          HD22      LEU  49   1.192 -10.065  -2.750
  365   HD23  LEU  49          HD23      LEU  49  -0.487  -9.709  -3.159
  366    HA   PRO  50           HA       PRO  50  -1.805 -15.569  -4.856
  367    HB2  PRO  50           HB2      PRO  50  -0.159 -17.748  -5.438
  368    HB3  PRO  50           HB3      PRO  50  -0.890 -16.650  -6.609
  369    HG2  PRO  50           HG2      PRO  50   1.866 -16.673  -5.495
  370    HG3  PRO  50           HG3      PRO  50   1.309 -16.231  -7.118
  371    HD2  PRO  50           HD2      PRO  50   2.042 -14.381  -5.309
  372    HD3  PRO  50           HD3      PRO  50   0.716 -14.084  -6.463
  373    H    ASP  51           H        ASP  51  -2.471 -15.666  -2.769
  374    HA   ASP  51           HA       ASP  51  -2.744 -16.385  -0.636
  375    HB2  ASP  51           HB2      ASP  51  -3.509 -18.344  -1.987
  376    HB3  ASP  51           HB3      ASP  51  -1.910 -19.053  -1.783
  377    H    GLY  52           H        GLY  52  -0.427 -15.120  -0.744
  378    HA2  GLY  52           HA2      GLY  52   1.320 -16.809   0.931
  379    HA3  GLY  52           HA3      GLY  52   1.969 -15.707  -0.274
  380    H    THR  53           H        THR  53   2.176 -13.610   0.157
  381    HA   THR  53           HA       THR  53   2.571 -12.870   2.825
  382    HB   THR  53           HB       THR  53   2.237 -11.052   0.451
  383    HG1  THR  53           HG1      THR  53   4.723 -11.280   0.697
  384   HG21  THR  53          HG21      THR  53   3.832  -9.622   1.766
  385   HG22  THR  53          HG22      THR  53   3.574 -10.712   3.130
  386   HG23  THR  53          HG23      THR  53   2.223  -9.792   2.465
  387    H    ILE  54           H        ILE  54   0.186 -11.629   0.490
  388    HA   ILE  54           HA       ILE  54  -1.105  -9.960   2.263
  389    HB   ILE  54           HB       ILE  54  -1.499 -10.825  -0.442
  390   HG12  ILE  54          HG12      ILE  54  -2.184  -8.436  -0.597
  391   HG13  ILE  54          HG13      ILE  54  -2.166  -8.370   1.158
  392   HG21  ILE  54          HG21      ILE  54  -3.874 -10.248  -0.623
  393   HG22  ILE  54          HG22      ILE  54  -3.979 -10.123   1.132
  394   HG23  ILE  54          HG23      ILE  54  -3.647 -11.683   0.379
  395   HD11  ILE  54          HD11      ILE  54   0.135  -8.560  -0.700
  396   HD12  ILE  54          HD12      ILE  54   0.273  -9.045   0.991
  397   HD13  ILE  54          HD13      ILE  54  -0.192  -7.391   0.586
  398    H    THR  55           H        THR  55  -1.454 -13.334   1.761
  399    HA   THR  55           HA       THR  55  -3.904 -13.699   3.092
  400    HB   THR  55           HB       THR  55  -1.576 -15.571   2.836
  401    HG1  THR  55           HG1      THR  55  -3.297 -16.533   1.338
  402   HG21  THR  55          HG21      THR  55  -3.011 -16.118   4.776
  403   HG22  THR  55          HG22      THR  55  -3.119 -17.341   3.506
  404   HG23  THR  55          HG23      THR  55  -4.411 -16.156   3.703
  405    H    SER  56           H        SER  56  -0.587 -13.544   4.325
  406    HA   SER  56           HA       SER  56  -1.424 -14.025   7.025
  407    HB2  SER  56           HB2      SER  56   0.811 -14.734   6.270
  408    HB3  SER  56           HB3      SER  56   1.223 -13.058   5.915
  409    HG   SER  56           HG       SER  56   1.862 -12.956   7.908
  410    H    LEU  57           H        LEU  57  -0.819 -11.419   4.932
  411    HA   LEU  57           HA       LEU  57  -0.729  -9.300   6.812
  412    HB2  LEU  57           HB2      LEU  57  -0.877  -9.628   3.949
  413    HB3  LEU  57           HB3      LEU  57  -1.590  -8.147   4.519
  414    HG   LEU  57           HG       LEU  57   0.534  -7.524   5.543
  415   HD11  LEU  57          HD11      LEU  57   1.522 -10.148   4.442
  416   HD12  LEU  57          HD12      LEU  57   1.425  -9.672   6.137
  417   HD13  LEU  57          HD13      LEU  57   2.565  -8.866   5.059
  418   HD21  LEU  57          HD21      LEU  57   1.769  -7.994   3.055
  419   HD22  LEU  57          HD22      LEU  57   0.894  -6.548   3.560
  420   HD23  LEU  57          HD23      LEU  57   0.035  -7.854   2.724
  421    H    VAL  58           H        VAL  58  -3.343 -11.055   5.244
  422    HA   VAL  58           HA       VAL  58  -5.323  -9.080   5.963
  423    HB   VAL  58           HB       VAL  58  -5.579 -10.687   4.024
  424   HG11  VAL  58          HG11      VAL  58  -6.631 -12.902   4.674
  425   HG12  VAL  58          HG12      VAL  58  -5.995 -12.612   6.304
  426   HG13  VAL  58          HG13      VAL  58  -4.887 -12.751   4.927
  427   HG21  VAL  58          HG21      VAL  58  -7.830 -10.709   6.030
  428   HG22  VAL  58          HG22      VAL  58  -7.967 -10.862   4.277
  429   HG23  VAL  58          HG23      VAL  58  -7.424  -9.341   4.993
  430    H    GLN  59           H        GLN  59  -3.922 -11.949   7.334
  431    HA   GLN  59           HA       GLN  59  -5.786 -12.317   9.434
  432    HB2  GLN  59           HB2      GLN  59  -2.853 -13.000   9.512
  433    HB3  GLN  59           HB3      GLN  59  -4.174 -13.828  10.317
  434    HG2  GLN  59           HG2      GLN  59  -4.202 -13.659   7.373
  435    HG3  GLN  59           HG3      GLN  59  -3.079 -14.771   8.120
  436   HE21  GLN  59          HE21      GLN  59  -5.268 -15.348   6.410
  437   HE22  GLN  59          HE22      GLN  59  -6.368 -16.351   7.285
  438    H    ASN  60           H        ASN  60  -3.164 -10.327   8.773
  439    HA   ASN  60           HA       ASN  60  -2.600  -9.309  11.351
  440    HB2  ASN  60           HB2      ASN  60  -1.638  -9.034   8.601
  441    HB3  ASN  60           HB3      ASN  60  -1.539  -7.564   9.535
  442   HD21  ASN  60          HD21      ASN  60  -0.450 -10.825   9.214
  443   HD22  ASN  60          HD22      ASN  60   0.887 -10.700  10.306
  444    HA   PRO  61           HA       PRO  61  -5.102  -5.638  12.020
  445    HB2  PRO  61           HB2      PRO  61  -2.690  -4.183  10.967
  446    HB3  PRO  61           HB3      PRO  61  -3.734  -3.769  12.332
  447    HG2  PRO  61           HG2      PRO  61  -1.409  -4.977  12.741
  448    HG3  PRO  61           HG3      PRO  61  -2.840  -5.415  13.693
  449    HD2  PRO  61           HD2      PRO  61  -1.452  -6.932  11.574
  450    HD3  PRO  61           HD3      PRO  61  -2.484  -7.516  12.892
  451    HA   PRO  62           HA       PRO  62  -7.547  -4.038   8.815
  452    HB2  PRO  62           HB2      PRO  62  -6.281  -1.389   9.248
  453    HB3  PRO  62           HB3      PRO  62  -7.989  -1.793   9.051
  454    HG2  PRO  62           HG2      PRO  62  -7.013  -1.385  11.469
  455    HG3  PRO  62           HG3      PRO  62  -8.146  -2.717  11.180
  456    HD2  PRO  62           HD2      PRO  62  -5.224  -2.788  11.663
  457    HD3  PRO  62           HD3      PRO  62  -6.465  -3.987  12.065
  458    H    GLN  63           H        GLN  63  -4.195  -3.692   8.265
  459    HA   GLN  63           HA       GLN  63  -3.801  -2.265   5.996
  460    HB2  GLN  63           HB2      GLN  63  -2.127  -3.556   7.274
  461    HB3  GLN  63           HB3      GLN  63  -2.653  -4.983   6.387
  462    HG2  GLN  63           HG2      GLN  63  -2.280  -3.329   4.353
  463    HG3  GLN  63           HG3      GLN  63  -1.085  -2.657   5.471
  464   HE21  GLN  63          HE21      GLN  63  -2.270  -5.864   4.801
  465   HE22  GLN  63          HE22      GLN  63  -0.756  -6.524   4.481
  466    H    LEU  64           H        LEU  64  -5.709  -5.155   6.101
  467    HA   LEU  64           HA       LEU  64  -5.715  -6.078   3.534
  468    HB2  LEU  64           HB2      LEU  64  -7.111  -7.175   5.074
  469    HB3  LEU  64           HB3      LEU  64  -7.932  -5.689   5.523
  470    HG   LEU  64           HG       LEU  64  -8.783  -5.652   3.127
  471   HD11  LEU  64          HD11      LEU  64  -7.968  -8.543   3.282
  472   HD12  LEU  64          HD12      LEU  64  -7.294  -7.323   2.203
  473   HD13  LEU  64          HD13      LEU  64  -8.975  -7.825   2.026
  474   HD21  LEU  64          HD21      LEU  64 -10.100  -6.219   5.205
  475   HD22  LEU  64          HD22      LEU  64  -9.839  -7.917   4.788
  476   HD23  LEU  64          HD23      LEU  64 -10.722  -6.859   3.678
  477    H    GLY  65           H        GLY  65  -7.582  -3.337   4.802
  478    HA2  GLY  65           HA2      GLY  65  -9.033  -2.661   2.539
  479    HA3  GLY  65           HA3      GLY  65  -8.547  -1.522   3.772
  480    H    ARG  66           H        ARG  66  -5.723  -1.915   3.287
  481    HA   ARG  66           HA       ARG  66  -5.342   0.019   1.226
  482    HB2  ARG  66           HB2      ARG  66  -3.806   0.286   2.897
  483    HB3  ARG  66           HB3      ARG  66  -3.707  -1.432   3.231
  484    HG2  ARG  66           HG2      ARG  66  -2.571  -0.553   0.661
  485    HG3  ARG  66           HG3      ARG  66  -1.752  -0.011   2.115
  486    HD2  ARG  66           HD2      ARG  66  -1.713  -2.382   2.898
  487    HD3  ARG  66           HD3      ARG  66  -2.324  -2.845   1.310
  488    HE   ARG  66           HE       ARG  66   0.180  -1.320   1.516
  489   HH11  ARG  66          HH11      ARG  66  -1.480  -4.271   0.633
  490   HH12  ARG  66          HH12      ARG  66  -0.130  -4.923  -0.236
  491   HH21  ARG  66          HH21      ARG  66   1.968  -2.194   0.378
  492   HH22  ARG  66          HH22      ARG  66   1.825  -3.751  -0.371
  493    H    ILE  67           H        ILE  67  -4.373  -3.293   1.694
  494    HA   ILE  67           HA       ILE  67  -3.239  -4.062  -0.621
  495    HB   ILE  67           HB       ILE  67  -5.321  -5.624   0.904
  496   HG12  ILE  67          HG12      ILE  67  -2.330  -5.570   1.284
  497   HG13  ILE  67          HG13      ILE  67  -3.433  -4.612   2.238
  498   HG21  ILE  67          HG21      ILE  67  -4.807  -6.652  -1.234
  499   HG22  ILE  67          HG22      ILE  67  -4.118  -7.605   0.083
  500   HG23  ILE  67          HG23      ILE  67  -3.080  -6.556  -0.886
  501   HD11  ILE  67          HD11      ILE  67  -3.584  -6.275   3.645
  502   HD12  ILE  67          HD12      ILE  67  -2.642  -7.324   2.588
  503   HD13  ILE  67          HD13      ILE  67  -4.393  -7.226   2.394
  504    H    LEU  68           H        LEU  68  -6.784  -3.995  -0.097
  505    HA   LEU  68           HA       LEU  68  -7.565  -5.466  -2.258
  506    HB2  LEU  68           HB2      LEU  68  -8.908  -3.190  -0.877
  507    HB3  LEU  68           HB3      LEU  68  -9.663  -3.942  -2.263
  508    HG   LEU  68           HG       LEU  68 -10.638  -5.275  -0.782
  509   HD11  LEU  68          HD11      LEU  68  -9.047  -6.823  -1.741
  510   HD12  LEU  68          HD12      LEU  68  -9.385  -7.233  -0.060
  511   HD13  LEU  68          HD13      LEU  68  -7.879  -6.420  -0.484
  512   HD21  LEU  68          HD21      LEU  68  -9.994  -3.747   1.028
  513   HD22  LEU  68          HD22      LEU  68  -8.495  -4.654   1.235
  514   HD23  LEU  68          HD23      LEU  68 -10.053  -5.431   1.556
  515    H    LYS  69           H        LYS  69  -7.513  -1.873  -2.347
  516    HA   LYS  69           HA       LYS  69  -8.174  -2.092  -5.162
  517    HB2  LYS  69           HB2      LYS  69  -8.053   0.269  -3.299
  518    HB3  LYS  69           HB3      LYS  69  -8.399   0.415  -5.016
  519    HG2  LYS  69           HG2      LYS  69 -10.033  -1.048  -2.953
  520    HG3  LYS  69           HG3      LYS  69 -10.459   0.442  -3.798
  521    HD2  LYS  69           HD2      LYS  69 -10.249  -0.936  -5.947
  522    HD3  LYS  69           HD3      LYS  69 -10.272  -2.349  -4.895
  523    HE2  LYS  69           HE2      LYS  69 -12.502  -1.925  -5.693
  524    HE3  LYS  69           HE3      LYS  69 -12.431  -1.574  -3.967
  525    HZ1  LYS  69           HZ1      LYS  69 -12.252   0.466  -6.121
  526    HZ2  LYS  69           HZ2      LYS  69 -12.293   0.765  -4.457
  527    HZ3  LYS  69           HZ3      LYS  69 -13.649   0.119  -5.231
  528    H    TYR  70           H        TYR  70  -5.729  -0.179  -3.339
  529    HA   TYR  70           HA       TYR  70  -4.205  -0.167  -5.860
  530    HB2  TYR  70           HB2      TYR  70  -4.351   2.088  -3.867
  531    HB3  TYR  70           HB3      TYR  70  -3.508   2.106  -5.411
  532    HD1  TYR  70           HD1      TYR  70  -5.186   1.389  -7.452
  533    HD2  TYR  70           HD2      TYR  70  -6.328   3.240  -3.796
  534    HE1  TYR  70           HE1      TYR  70  -7.215   2.260  -8.531
  535    HE2  TYR  70           HE2      TYR  70  -8.363   4.110  -4.865
  536    HH   TYR  70           HH       TYR  70  -9.086   4.683  -7.234
  537    H    HIS  71           H        HIS  71  -4.086  -1.372  -2.837
  538    HA   HIS  71           HA       HIS  71  -2.567  -1.647  -1.173
  539    HB2  HIS  71           HB2      HIS  71  -0.351  -2.599  -1.972
  540    HB3  HIS  71           HB3      HIS  71  -1.799  -3.442  -2.488
  541    HD1  HIS  71           HD1      HIS  71   1.140  -1.553  -3.788
  542    HD2  HIS  71           HD2      HIS  71  -2.310  -3.345  -5.258
  543    HE1  HIS  71           HE1      HIS  71   1.473  -1.728  -6.269
  544    HE2  HIS  71           HE2      HIS  71  -0.564  -2.938  -7.121
  545    H    VAL  72           H        VAL  72  -2.906   0.816  -1.138
  546    HA   VAL  72           HA       VAL  72  -0.392   2.261  -1.643
  547    HB   VAL  72           HB       VAL  72  -2.209   2.751  -3.271
  548   HG11  VAL  72          HG11      VAL  72  -4.120   2.404  -1.806
  549   HG12  VAL  72          HG12      VAL  72  -4.179   4.003  -2.549
  550   HG13  VAL  72          HG13      VAL  72  -3.673   3.829  -0.869
  551   HG21  VAL  72          HG21      VAL  72  -1.569   5.093  -1.483
  552   HG22  VAL  72          HG22      VAL  72  -2.074   5.161  -3.171
  553   HG23  VAL  72          HG23      VAL  72  -0.516   4.454  -2.747
  554    H    VAL  73           H        VAL  73   0.025   4.079  -0.312
  555    HA   VAL  73           HA       VAL  73  -1.681   4.433   2.052
  556    HB   VAL  73           HB       VAL  73   0.202   3.418   3.035
  557   HG11  VAL  73          HG11      VAL  73   2.498   3.871   2.495
  558   HG12  VAL  73          HG12      VAL  73   2.031   5.179   1.412
  559   HG13  VAL  73          HG13      VAL  73   1.642   3.508   0.995
  560   HG21  VAL  73          HG21      VAL  73   1.247   5.136   4.324
  561   HG22  VAL  73          HG22      VAL  73  -0.444   5.574   4.056
  562   HG23  VAL  73          HG23      VAL  73   0.843   6.348   3.107
  563    H    ALA  74           H        ALA  74  -2.344   6.485   2.324
  564    HA   ALA  74           HA       ALA  74  -1.767   8.517   0.436
  565    HB1  ALA  74           HB1      ALA  74  -3.862   8.515   1.608
  566    HB2  ALA  74           HB2      ALA  74  -2.984   9.987   2.038
  567    HB3  ALA  74           HB3      ALA  74  -3.039   8.624   3.167
  568    H    GLY  75           H        GLY  75  -0.636  10.394   0.623
  569    HA2  GLY  75           HA2      GLY  75   0.884  11.856   1.779
  570    HA3  GLY  75           HA3      GLY  75   1.344  10.494   2.791
  571    H    ALA  76           H        ALA  76   1.902  12.156  -0.129
  572    HA   ALA  76           HA       ALA  76   3.365  10.259  -1.578
  573    HB1  ALA  76           HB1      ALA  76   3.506  13.265  -1.602
  574    HB2  ALA  76           HB2      ALA  76   2.530  12.239  -2.650
  575    HB3  ALA  76           HB3      ALA  76   4.286  12.215  -2.784
  576    H    TYR  77           H        TYR  77   4.943   9.208  -0.587
  577    HA   TYR  77           HA       TYR  77   7.082  10.804   0.701
  578    HB2  TYR  77           HB2      TYR  77   6.859   7.839   1.089
  579    HB3  TYR  77           HB3      TYR  77   7.627   9.043   2.113
  580    HD1  TYR  77           HD1      TYR  77   5.761  10.877   3.007
  581    HD2  TYR  77           HD2      TYR  77   5.046   6.811   1.972
  582    HE1  TYR  77           HE1      TYR  77   3.788  10.850   4.479
  583    HE2  TYR  77           HE2      TYR  77   3.074   6.768   3.435
  584    HH   TYR  77           HH       TYR  77   1.526   9.366   4.496
  585    H    LYS  78           H        LYS  78   9.011  10.838  -0.301
  586    HA   LYS  78           HA       LYS  78   9.489   8.910  -2.421
  587    HB2  LYS  78           HB2      LYS  78  11.105  11.321  -1.604
  588    HB3  LYS  78           HB3      LYS  78  11.519  10.239  -2.930
  589    HG2  LYS  78           HG2      LYS  78  10.430  11.898  -4.076
  590    HG3  LYS  78           HG3      LYS  78   9.096  10.807  -3.734
  591    HD2  LYS  78           HD2      LYS  78   9.221  12.406  -1.495
  592    HD3  LYS  78           HD3      LYS  78   9.514  13.521  -2.836
  593    HE2  LYS  78           HE2      LYS  78   7.520  12.601  -3.968
  594    HE3  LYS  78           HE3      LYS  78   7.228  11.593  -2.551
  595    HZ1  LYS  78           HZ1      LYS  78   7.328  14.562  -2.470
  596    HZ2  LYS  78           HZ2      LYS  78   6.858  13.530  -1.218
  597    HZ3  LYS  78           HZ3      LYS  78   5.897  13.676  -2.603
  598    H    ALA  79           H        ALA  79  11.736   7.862  -2.459
  599    HA   ALA  79           HA       ALA  79  11.826   6.069  -0.375
  600    HB1  ALA  79           HB1      ALA  79  13.996   5.369  -1.213
  601    HB2  ALA  79           HB2      ALA  79  14.146   6.871  -2.124
  602    HB3  ALA  79           HB3      ALA  79  12.893   5.704  -2.547
  603    H    THR  80           H        THR  80  13.313   9.178  -0.579
  604    HA   THR  80           HA       THR  80  15.280   8.748   1.450
  605    HB   THR  80           HB       THR  80  15.633  10.429  -0.292
  606    HG1  THR  80           HG1      THR  80  16.398  10.657   2.041
  607   HG21  THR  80          HG21      THR  80  14.409  12.543  -0.281
  608   HG22  THR  80          HG22      THR  80  13.388  11.956   1.031
  609   HG23  THR  80          HG23      THR  80  13.314  11.189  -0.554
  610    H    ASP  81           H        ASP  81  11.939   9.724   1.447
  611    HA   ASP  81           HA       ASP  81  12.003  10.956   4.050
  612    HB2  ASP  81           HB2      ASP  81  10.314  11.575   2.341
  613    HB3  ASP  81           HB3      ASP  81   9.652   9.947   2.424
  614    H    LEU  82           H        LEU  82  10.732   7.948   2.696
  615    HA   LEU  82           HA       LEU  82   9.916   6.666   4.979
  616    HB2  LEU  82           HB2      LEU  82  11.165   5.598   2.457
  617    HB3  LEU  82           HB3      LEU  82  10.403   4.573   3.662
  618    HG   LEU  82           HG       LEU  82   8.556   4.824   2.427
  619   HD11  LEU  82          HD11      LEU  82   7.138   6.654   2.948
  620   HD12  LEU  82          HD12      LEU  82   8.518   7.659   3.380
  621   HD13  LEU  82          HD13      LEU  82   8.091   6.278   4.383
  622   HD21  LEU  82          HD21      LEU  82   9.706   7.305   1.207
  623   HD22  LEU  82          HD22      LEU  82   8.262   6.450   0.664
  624   HD23  LEU  82          HD23      LEU  82   9.840   5.672   0.555
  625    H    LYS  83           H        LYS  83  13.125   6.515   3.473
  626    HA   LYS  83           HA       LYS  83  14.209   4.752   5.401
  627    HB2  LYS  83           HB2      LYS  83  15.084   5.059   3.105
  628    HB3  LYS  83           HB3      LYS  83  15.640   6.658   3.574
  629    HG2  LYS  83           HG2      LYS  83  17.174   5.721   5.160
  630    HG3  LYS  83           HG3      LYS  83  16.554   4.098   4.850
  631    HD2  LYS  83           HD2      LYS  83  17.334   4.201   2.561
  632    HD3  LYS  83           HD3      LYS  83  17.869   5.866   2.792
  633    HE2  LYS  83           HE2      LYS  83  18.937   3.483   4.294
  634    HE3  LYS  83           HE3      LYS  83  19.712   4.224   2.898
  635    HZ1  LYS  83           HZ1      LYS  83  19.218   5.497   5.532
  636    HZ2  LYS  83           HZ2      LYS  83  19.825   6.310   4.181
  637    HZ3  LYS  83           HZ3      LYS  83  20.716   5.057   4.881
  638    H    ARG  84           H        ARG  84  14.160   8.260   5.126
  639    HA   ARG  84           HA       ARG  84  15.970   8.949   7.107
  640    HB2  ARG  84           HB2      ARG  84  14.053  10.206   5.508
  641    HB3  ARG  84           HB3      ARG  84  13.644  10.627   7.158
  642    HG2  ARG  84           HG2      ARG  84  15.462  11.921   7.428
  643    HG3  ARG  84           HG3      ARG  84  16.491  10.833   6.494
  644    HD2  ARG  84           HD2      ARG  84  15.561  11.664   4.440
  645    HD3  ARG  84           HD3      ARG  84  14.448  12.707   5.321
  646    HE   ARG  84           HE       ARG  84  16.887  13.494   6.210
  647   HH11  ARG  84          HH11      ARG  84  15.493  13.106   3.025
  648   HH12  ARG  84          HH12      ARG  84  16.450  14.364   2.311
  649   HH21  ARG  84          HH21      ARG  84  18.154  15.160   5.267
  650   HH22  ARG  84          HH22      ARG  84  17.968  15.520   3.579
  651    H    MET  85           H        MET  85  12.594   8.072   7.250
  652    HA   MET  85           HA       MET  85  12.406   8.356  10.115
  653    HB2  MET  85           HB2      MET  85  10.541   7.111   8.098
  654    HB3  MET  85           HB3      MET  85  10.176   7.284   9.804
  655    HG2  MET  85           HG2      MET  85  10.345   9.696   9.593
  656    HG3  MET  85           HG3      MET  85  10.741   9.519   7.888
  657    HE1  MET  85           HE1      MET  85   6.654   8.287   9.657
  658    HE2  MET  85           HE2      MET  85   8.004   8.858  10.636
  659    HE3  MET  85           HE3      MET  85   8.108   7.301   9.814
  660    H    GLY  86           H        GLY  86  12.914   5.795   7.798
  661    HA2  GLY  86           HA2      GLY  86  13.876   3.703   8.164
  662    HA3  GLY  86           HA3      GLY  86  13.896   4.046   9.886
  663    H    ILE  87           H        ILE  87  10.920   4.610   8.467
  664    HA   ILE  87           HA       ILE  87   9.787   2.032   8.629
  665    HB   ILE  87           HB       ILE  87  10.109   2.997  11.091
  666   HG12  ILE  87          HG12      ILE  87   7.406   1.866  10.407
  667   HG13  ILE  87          HG13      ILE  87   8.855   0.890  10.246
  668   HG21  ILE  87          HG21      ILE  87   8.056   4.157  11.817
  669   HG22  ILE  87          HG22      ILE  87   7.557   4.240  10.123
  670   HG23  ILE  87          HG23      ILE  87   9.006   5.094  10.660
  671   HD11  ILE  87          HD11      ILE  87   7.818   2.161  12.758
  672   HD12  ILE  87          HD12      ILE  87   9.328   1.260  12.626
  673   HD13  ILE  87          HD13      ILE  87   7.790   0.447  12.345
  674    H    VAL  88           H        VAL  88   7.564   2.084   8.064
  675    HA   VAL  88           HA       VAL  88   6.610   4.619   6.921
  676    HB   VAL  88           HB       VAL  88   5.674   3.203   5.031
  677   HG11  VAL  88          HG11      VAL  88   8.617   3.612   5.471
  678   HG12  VAL  88          HG12      VAL  88   7.488   4.595   4.531
  679   HG13  VAL  88          HG13      VAL  88   7.972   3.010   3.939
  680   HG21  VAL  88          HG21      VAL  88   5.919   1.022   6.141
  681   HG22  VAL  88          HG22      VAL  88   7.678   1.212   6.120
  682   HG23  VAL  88          HG23      VAL  88   6.781   1.062   4.601
  683    H    THR  89           H        THR  89   4.400   4.972   7.131
  684    HA   THR  89           HA       THR  89   2.986   2.887   8.649
  685    HB   THR  89           HB       THR  89   2.153   5.770   8.668
  686    HG1  THR  89           HG1      THR  89   4.311   5.769   9.369
  687   HG21  THR  89          HG21      THR  89   1.237   5.099  10.864
  688   HG22  THR  89          HG22      THR  89   1.841   3.458  10.599
  689   HG23  THR  89          HG23      THR  89   0.587   4.123   9.545
  690    H    SER  90           H        SER  90   1.173   2.088   7.905
  691    HA   SER  90           HA       SER  90   0.312   2.565   5.252
  692    HB2  SER  90           HB2      SER  90   0.044   0.375   6.121
  693    HB3  SER  90           HB3      SER  90  -0.779   0.944   7.568
  694    HG   SER  90           HG       SER  90  -2.128  -0.017   5.874
  695    H    LEU  91           H        LEU  91  -1.913   3.156   4.640
  696    HA   LEU  91           HA       LEU  91  -2.855   5.567   5.595
  697    HB2  LEU  91           HB2      LEU  91  -3.459   4.074   3.507
  698    HB3  LEU  91           HB3      LEU  91  -4.786   3.550   4.514
  699    HG   LEU  91           HG       LEU  91  -5.833   5.578   4.483
  700   HD11  LEU  91          HD11      LEU  91  -3.135   6.743   3.940
  701   HD12  LEU  91          HD12      LEU  91  -4.175   6.999   5.345
  702   HD13  LEU  91          HD13      LEU  91  -4.627   7.669   3.774
  703   HD21  LEU  91          HD21      LEU  91  -5.763   4.650   2.239
  704   HD22  LEU  91          HD22      LEU  91  -4.288   5.561   1.912
  705   HD23  LEU  91          HD23      LEU  91  -5.800   6.415   2.213
  706    H    GLU  92           H        GLU  92  -3.392   2.311   6.660
  707    HA   GLU  92           HA       GLU  92  -5.657   2.965   8.357
  708    HB2  GLU  92           HB2      GLU  92  -5.592   0.636   9.037
  709    HB3  GLU  92           HB3      GLU  92  -5.472   0.752   7.277
  710    HG2  GLU  92           HG2      GLU  92  -3.727  -0.619   7.435
  711    HG3  GLU  92           HG3      GLU  92  -2.843   0.742   8.116
  712    H    GLY  93           H        GLY  93  -2.260   2.811   8.570
  713    HA2  GLY  93           HA2      GLY  93  -1.191   4.004  10.407
  714    HA3  GLY  93           HA3      GLY  93  -2.405   3.325  11.469
  715    H    SER  94           H        SER  94  -1.156   1.116   9.160
  716    HA   SER  94           HA       SER  94   0.306  -0.244  11.223
  717    HB2  SER  94           HB2      SER  94  -0.793  -0.957   8.586
  718    HB3  SER  94           HB3      SER  94   0.696  -1.783   9.038
  719    HG   SER  94           HG       SER  94  -1.850  -2.098   9.998
  720    H    THR  95           H        THR  95   2.383   0.054  11.600
  721    HA   THR  95           HA       THR  95   4.031   1.416   9.652
  722    HB   THR  95           HB       THR  95   5.615   0.784  11.859
  723    HG1  THR  95           HG1      THR  95   4.105   0.294  13.299
  724   HG21  THR  95          HG21      THR  95   5.574   2.904  10.630
  725   HG22  THR  95          HG22      THR  95   5.409   3.163  12.367
  726   HG23  THR  95          HG23      THR  95   3.994   3.273  11.320
  727    H    ILE  96           H        ILE  96   5.712   0.623   8.578
  728    HA   ILE  96           HA       ILE  96   6.595  -2.132   9.063
  729    HB   ILE  96           HB       ILE  96   5.987  -0.827   6.420
  730   HG12  ILE  96          HG12      ILE  96   4.996  -3.210   6.072
  731   HG13  ILE  96          HG13      ILE  96   5.070  -3.310   7.828
  732   HG21  ILE  96          HG21      ILE  96   8.168  -1.687   6.101
  733   HG22  ILE  96          HG22      ILE  96   7.039  -2.821   5.354
  734   HG23  ILE  96          HG23      ILE  96   7.759  -3.193   6.921
  735   HD11  ILE  96          HD11      ILE  96   3.562  -1.249   6.233
  736   HD12  ILE  96          HD12      ILE  96   3.649  -1.325   7.994
  737   HD13  ILE  96          HD13      ILE  96   2.868  -2.625   7.092
  738    HA   PRO  97           HA       PRO  97  10.348   0.167   9.578
  739    HB2  PRO  97           HB2      PRO  97  11.869  -2.303   9.517
  740    HB3  PRO  97           HB3      PRO  97  11.512  -1.257  10.890
  741    HG2  PRO  97           HG2      PRO  97  10.471  -3.769  10.539
  742    HG3  PRO  97           HG3      PRO  97   9.723  -2.503  11.528
  743    HD2  PRO  97           HD2      PRO  97   9.010  -3.467   8.807
  744    HD3  PRO  97           HD3      PRO  97   7.969  -2.836  10.099
  745    H    ILE  98           H        ILE  98  11.568   1.146   8.232
  746    HA   ILE  98           HA       ILE  98  12.144   0.010   5.626
  747    HB   ILE  98           HB       ILE  98  12.475   2.787   6.750
  748   HG12  ILE  98          HG12      ILE  98  10.164   2.086   6.301
  749   HG13  ILE  98          HG13      ILE  98  10.682   3.351   5.189
  750   HG21  ILE  98          HG21      ILE  98  13.022   3.464   4.439
  751   HG22  ILE  98          HG22      ILE  98  13.106   1.760   3.992
  752   HG23  ILE  98          HG23      ILE  98  14.243   2.421   5.166
  753   HD11  ILE  98          HD11      ILE  98  10.726   0.429   4.510
  754   HD12  ILE  98          HD12      ILE  98  10.941   1.798   3.417
  755   HD13  ILE  98          HD13      ILE  98   9.366   1.500   4.170
  756    H    HIS  99           H        HIS  99  14.040  -0.534   4.938
  757    HA   HIS  99           HA       HIS  99  16.419  -0.004   6.586
  758    HB2  HIS  99           HB2      HIS  99  15.885  -2.460   4.929
  759    HB3  HIS  99           HB3      HIS  99  17.380  -2.121   5.769
  760    HD1  HIS  99           HD1      HIS  99  17.343  -2.326   8.372
  761    HD2  HIS  99           HD2      HIS  99  13.841  -3.519   6.472
  762    HE1  HIS  99           HE1      HIS  99  16.057  -3.644  10.085
  763    HE2  HIS  99           HE2      HIS  99  13.981  -4.425   8.890
  764    H    GLY 100           H        GLY 100  18.420  -0.559   4.906
  765    HA2  GLY 100           HA2      GLY 100  18.226   0.026   2.249
  766    HA3  GLY 100           HA3      GLY 100  18.194   1.592   3.023
  767    H    ASP 101           H        ASP 101  20.057  -1.174   2.255
  768    HA   ASP 101           HA       ASP 101  22.500  -0.195   3.448
  769    HB2  ASP 101           HB2      ASP 101  22.302  -2.571   3.236
  770    HB3  ASP 101           HB3      ASP 101  21.889  -2.451   1.530
  771    H    ASN 102           H        ASN 102  21.183  -0.535   0.211
  772    HA   ASN 102           HA       ASN 102  22.712   1.786  -0.659
  773    HB2  ASN 102           HB2      ASN 102  22.964  -0.953  -1.749
  774    HB3  ASN 102           HB3      ASN 102  22.834   0.336  -2.939
  775   HD21  ASN 102          HD21      ASN 102  24.771  -1.041  -0.393
  776   HD22  ASN 102          HD22      ASN 102  26.200  -0.118  -0.730
  777    HA   PRO 103           HA       PRO 103  18.597   1.550  -3.000
  778    HB2  PRO 103           HB2      PRO 103  17.166  -0.669  -3.208
  779    HB3  PRO 103           HB3      PRO 103  18.636  -0.495  -4.177
  780    HG2  PRO 103           HG2      PRO 103  18.227  -1.985  -1.618
  781    HG3  PRO 103           HG3      PRO 103  19.058  -2.511  -3.096
  782    HD2  PRO 103           HD2      PRO 103  20.330  -1.469  -0.908
  783    HD3  PRO 103           HD3      PRO 103  20.992  -1.426  -2.544
  784    H    LEU 104           H        LEU 104  16.214   1.508  -2.286
  785    HA   LEU 104           HA       LEU 104  16.047   1.794   0.556
  786    HB2  LEU 104           HB2      LEU 104  14.651   3.113  -1.080
  787    HB3  LEU 104           HB3      LEU 104  13.780   1.632  -1.412
  788    HG   LEU 104           HG       LEU 104  13.267   1.584   1.105
  789   HD11  LEU 104          HD11      LEU 104  13.201   3.788   2.176
  790   HD12  LEU 104          HD12      LEU 104  14.072   4.468   0.799
  791   HD13  LEU 104          HD13      LEU 104  14.848   3.259   1.823
  792   HD21  LEU 104          HD21      LEU 104  12.076   3.347  -0.968
  793   HD22  LEU 104          HD22      LEU 104  11.491   3.476   0.691
  794   HD23  LEU 104          HD23      LEU 104  11.404   1.929  -0.152
  795    H    GLU 105           H        GLU 105  14.644   0.515   1.916
  796    HA   GLU 105           HA       GLU 105  14.109  -2.170   0.914
  797    HB2  GLU 105           HB2      GLU 105  15.777  -1.591   3.359
  798    HB3  GLU 105           HB3      GLU 105  15.206  -3.185   2.885
  799    HG2  GLU 105           HG2      GLU 105  16.498  -2.921   0.772
  800    HG3  GLU 105           HG3      GLU 105  17.163  -1.430   1.423
  801    H    VAL 106           H        VAL 106  12.274  -2.904   1.625
  802    HA   VAL 106           HA       VAL 106  10.957  -1.559   3.876
  803    HB   VAL 106           HB       VAL 106   9.907  -0.526   2.123
  804   HG11  VAL 106          HG11      VAL 106  10.506  -2.997   0.569
  805   HG12  VAL 106          HG12      VAL 106  10.993  -1.322   0.252
  806   HG13  VAL 106          HG13      VAL 106   9.321  -1.832  -0.015
  807   HG21  VAL 106          HG21      VAL 106   8.329  -3.085   2.323
  808   HG22  VAL 106          HG22      VAL 106   7.740  -1.587   1.607
  809   HG23  VAL 106          HG23      VAL 106   8.129  -1.653   3.331
  810    H    LYS 107           H        LYS 107  10.260  -2.968   5.376
  811    HA   LYS 107           HA       LYS 107  10.095  -4.938   6.460
  812    HB2  LYS 107           HB2      LYS 107   8.317  -6.474   5.622
  813    HB3  LYS 107           HB3      LYS 107   7.823  -4.802   5.778
  814    HG2  LYS 107           HG2      LYS 107   8.367  -4.677   3.246
  815    HG3  LYS 107           HG3      LYS 107   8.248  -6.427   3.321
  816    HD2  LYS 107           HD2      LYS 107   6.102  -4.509   4.211
  817    HD3  LYS 107           HD3      LYS 107   6.125  -5.353   2.664
  818    HE2  LYS 107           HE2      LYS 107   6.113  -6.720   5.346
  819    HE3  LYS 107           HE3      LYS 107   4.667  -6.403   4.392
  820    HZ1  LYS 107           HZ1      LYS 107   5.635  -7.751   2.596
  821    HZ2  LYS 107           HZ2      LYS 107   5.427  -8.641   4.024
  822    HZ3  LYS 107           HZ3      LYS 107   6.968  -8.105   3.587
  823    H    ASN 108           H        ASN 108   9.438  -7.316   4.293
  824    HA   ASN 108           HA       ASN 108  12.213  -8.212   4.319
  825    HB2  ASN 108           HB2      ASN 108  11.214 -10.426   3.645
  826    HB3  ASN 108           HB3      ASN 108  10.686  -9.831   5.213
  827   HD21  ASN 108          HD21      ASN 108   9.405 -11.756   3.459
  828   HD22  ASN 108          HD22      ASN 108   7.829 -11.127   3.116
  829    H    ALA 109           H        ALA 109  11.095  -6.160   2.478
  830    HA   ALA 109           HA       ALA 109  11.631  -7.513  -0.081
  831    HB1  ALA 109           HB1      ALA 109   9.293  -6.738   0.150
  832    HB2  ALA 109           HB2      ALA 109  10.148  -5.935  -1.168
  833    HB3  ALA 109           HB3      ALA 109   9.881  -5.083   0.351
  834    H    THR 110           H        THR 110  12.447  -5.979  -1.777
  835    HA   THR 110           HA       THR 110  14.239  -3.977  -0.669
  836    HB   THR 110           HB       THR 110  14.982  -5.876  -2.910
  837    HG1  THR 110           HG1      THR 110  14.940  -6.997  -0.904
  838   HG21  THR 110          HG21      THR 110  16.088  -3.692  -3.011
  839   HG22  THR 110          HG22      THR 110  17.241  -4.957  -2.584
  840   HG23  THR 110          HG23      THR 110  16.619  -3.873  -1.339
  841    H    VAL 111           H        VAL 111  14.380  -2.145  -1.885
  842    HA   VAL 111           HA       VAL 111  12.258  -1.861  -3.841
  843    HB   VAL 111           HB       VAL 111  14.122   0.142  -2.604
  844   HG11  VAL 111          HG11      VAL 111  11.683   0.589  -4.323
  845   HG12  VAL 111          HG12      VAL 111  13.349   0.914  -4.797
  846   HG13  VAL 111          HG13      VAL 111  12.604   1.845  -3.496
  847   HG21  VAL 111          HG21      VAL 111  12.717  -0.768  -0.963
  848   HG22  VAL 111          HG22      VAL 111  11.320  -0.722  -2.038
  849   HG23  VAL 111          HG23      VAL 111  12.006   0.778  -1.423
  850    H    LEU 112           H        LEU 112  12.494  -1.865  -5.928
  851    HA   LEU 112           HA       LEU 112  15.130  -2.001  -7.111
  852    HB2  LEU 112           HB2      LEU 112  12.360  -2.362  -8.227
  853    HB3  LEU 112           HB3      LEU 112  13.801  -2.403  -9.220
  854    HG   LEU 112           HG       LEU 112  14.552  -4.316  -7.645
  855   HD11  LEU 112          HD11      LEU 112  13.097  -5.146  -6.161
  856   HD12  LEU 112          HD12      LEU 112  11.717  -4.930  -7.254
  857   HD13  LEU 112          HD13      LEU 112  12.328  -3.557  -6.315
  858   HD21  LEU 112          HD21      LEU 112  13.340  -5.956  -8.990
  859   HD22  LEU 112          HD22      LEU 112  13.923  -4.629  -9.994
  860   HD23  LEU 112          HD23      LEU 112  12.225  -4.701  -9.528
  861    H    ALA 113           H        ALA 113  12.313   0.074  -6.937
  862    HA   ALA 113           HA       ALA 113  13.780   2.285  -8.037
  863    HB1  ALA 113           HB1      ALA 113  11.454   1.167  -9.597
  864    HB2  ALA 113           HB2      ALA 113  13.144   1.132 -10.097
  865    HB3  ALA 113           HB3      ALA 113  12.301   2.674  -9.946
  866    H    ALA 114           H        ALA 114  13.185   3.869  -6.722
  867    HA   ALA 114           HA       ALA 114  10.328   4.266  -6.259
  868    HB1  ALA 114           HB1      ALA 114  10.892   5.002  -3.941
  869    HB2  ALA 114           HB2      ALA 114  12.537   4.417  -4.218
  870    HB3  ALA 114           HB3      ALA 114  11.185   3.287  -4.232
  871    H    ASP 115           H        ASP 115  10.397   6.590  -4.895
  872    HA   ASP 115           HA       ASP 115  10.439   8.835  -5.262
  873    HB2  ASP 115           HB2      ASP 115  12.906   8.636  -5.151
  874    HB3  ASP 115           HB3      ASP 115  12.955   8.227  -6.859
  875    H    ILE 116           H        ILE 116   9.167   6.807  -6.923
  876    HA   ILE 116           HA       ILE 116   9.081   7.938  -9.582
  877    HB   ILE 116           HB       ILE 116   7.278   5.809  -8.449
  878   HG12  ILE 116          HG12      ILE 116  10.050   5.478  -9.603
  879   HG13  ILE 116          HG13      ILE 116   9.531   5.081  -7.982
  880   HG21  ILE 116          HG21      ILE 116   8.237   6.364 -11.245
  881   HG22  ILE 116          HG22      ILE 116   6.656   6.806 -10.586
  882   HG23  ILE 116          HG23      ILE 116   7.099   5.104 -10.763
  883   HD11  ILE 116          HD11      ILE 116   8.517   3.738 -10.471
  884   HD12  ILE 116          HD12      ILE 116   8.158   3.295  -8.803
  885   HD13  ILE 116          HD13      ILE 116   9.795   3.112  -9.430
  886    H    GLU 117           H        GLU 117   7.944   9.812  -9.706
  887    HA   GLU 117           HA       GLU 117   5.892  10.460  -7.875
  888    HB2  GLU 117           HB2      GLU 117   6.463  11.730 -10.550
  889    HB3  GLU 117           HB3      GLU 117   5.454  12.395  -9.271
  890    HG2  GLU 117           HG2      GLU 117   7.478  12.349  -7.787
  891    HG3  GLU 117           HG3      GLU 117   8.422  11.943  -9.217
  892    H    ALA 118           H        ALA 118   4.168   9.330  -7.752
  893    HA   ALA 118           HA       ALA 118   2.891   8.114 -10.024
  894    HB1  ALA 118           HB1      ALA 118   2.809   6.813  -8.094
  895    HB2  ALA 118           HB2      ALA 118   1.173   7.462  -8.252
  896    HB3  ALA 118           HB3      ALA 118   2.300   8.170  -7.088
  897    H    GLU 119           H        GLU 119   0.411   8.249  -9.964
  898    HA   GLU 119           HA       GLU 119  -0.544  10.532 -11.041
  899    HB2  GLU 119           HB2      GLU 119  -2.813   9.720 -10.067
  900    HB3  GLU 119           HB3      GLU 119  -1.944   8.686 -11.192
  901    HG2  GLU 119           HG2      GLU 119  -1.067   7.375  -9.336
  902    HG3  GLU 119           HG3      GLU 119  -1.900   8.416  -8.183
  903    H    ASN 120           H        ASN 120  -0.784   9.698  -7.593
  904    HA   ASN 120           HA       ASN 120  -1.358  12.533  -7.064
  905    HB2  ASN 120           HB2      ASN 120  -2.311  10.096  -5.555
  906    HB3  ASN 120           HB3      ASN 120  -2.563  11.754  -5.023
  907   HD21  ASN 120          HD21      ASN 120  -3.557   9.259  -7.188
  908   HD22  ASN 120          HD22      ASN 120  -4.909  10.094  -7.862
  909    H    GLY 121           H        GLY 121   0.876  10.019  -6.571
  910    HA2  GLY 121           HA2      GLY 121   2.281  11.616  -4.593
  911    HA3  GLY 121           HA3      GLY 121   1.754  10.050  -4.023
  912    H    ILE 122           H        ILE 122   2.992   8.416  -4.347
  913    HA   ILE 122           HA       ILE 122   5.170   8.524  -6.283
  914    HB   ILE 122           HB       ILE 122   5.455   8.299  -3.306
  915   HG12  ILE 122          HG12      ILE 122   5.479  10.536  -4.400
  916   HG13  ILE 122          HG13      ILE 122   6.941  10.139  -3.504
  917   HG21  ILE 122          HG21      ILE 122   7.855   7.847  -3.678
  918   HG22  ILE 122          HG22      ILE 122   7.493   7.571  -5.383
  919   HG23  ILE 122          HG23      ILE 122   6.793   6.519  -4.152
  920   HD11  ILE 122          HD11      ILE 122   8.239  10.140  -5.342
  921   HD12  ILE 122          HD12      ILE 122   6.958  11.186  -5.964
  922   HD13  ILE 122          HD13      ILE 122   6.967   9.462  -6.365
  923    H    ILE 123           H        ILE 123   5.862   6.582  -6.982
  924    HA   ILE 123           HA       ILE 123   4.593   4.163  -5.849
  925    HB   ILE 123           HB       ILE 123   5.396   4.846  -8.670
  926   HG12  ILE 123          HG12      ILE 123   2.955   3.347  -7.800
  927   HG13  ILE 123          HG13      ILE 123   3.037   5.085  -7.554
  928   HG21  ILE 123          HG21      ILE 123   5.201   2.533  -9.346
  929   HG22  ILE 123          HG22      ILE 123   4.865   2.043  -7.686
  930   HG23  ILE 123          HG23      ILE 123   6.458   2.667  -8.111
  931   HD11  ILE 123          HD11      ILE 123   3.293   5.454  -9.908
  932   HD12  ILE 123          HD12      ILE 123   1.888   4.423  -9.633
  933   HD13  ILE 123          HD13      ILE 123   3.401   3.718 -10.207
  934    H    HIS 124           H        HIS 124   5.928   2.312  -5.539
  935    HA   HIS 124           HA       HIS 124   8.770   2.681  -5.944
  936    HB2  HIS 124           HB2      HIS 124   9.223   3.349  -3.934
  937    HB3  HIS 124           HB3      HIS 124   7.490   3.339  -3.564
  938    HD1  HIS 124           HD1      HIS 124   7.486   2.691  -1.232
  939    HD2  HIS 124           HD2      HIS 124   9.874   0.192  -3.521
  940    HE1  HIS 124           HE1      HIS 124   8.280   0.904   0.336
  941    HE2  HIS 124           HE2      HIS 124   9.608  -0.663  -1.106
  942    H    VAL 125           H        VAL 125   9.515   0.975  -6.715
  943    HA   VAL 125           HA       VAL 125   7.939  -1.433  -6.786
  944    HB   VAL 125           HB       VAL 125  10.612  -0.862  -8.080
  945   HG11  VAL 125          HG11      VAL 125  10.032  -2.720  -9.578
  946   HG12  VAL 125          HG12      VAL 125   8.581  -3.026  -8.624
  947   HG13  VAL 125          HG13      VAL 125  10.175  -3.244  -7.901
  948   HG21  VAL 125          HG21      VAL 125   9.320  -0.436 -10.120
  949   HG22  VAL 125          HG22      VAL 125   8.914   0.707  -8.840
  950   HG23  VAL 125          HG23      VAL 125   7.823  -0.630  -9.208
  951    H    ILE 126           H        ILE 126   8.229  -3.205  -5.641
  952    HA   ILE 126           HA       ILE 126  10.823  -3.626  -4.307
  953    HB   ILE 126           HB       ILE 126   9.772  -4.636  -2.419
  954   HG12  ILE 126          HG12      ILE 126   7.689  -5.211  -4.094
  955   HG13  ILE 126          HG13      ILE 126   7.680  -5.449  -2.352
  956   HG21  ILE 126          HG21      ILE 126   8.500  -2.000  -3.117
  957   HG22  ILE 126          HG22      ILE 126   9.993  -2.290  -2.203
  958   HG23  ILE 126          HG23      ILE 126   8.431  -2.742  -1.508
  959   HD11  ILE 126          HD11      ILE 126   6.705  -2.960  -3.739
  960   HD12  ILE 126          HD12      ILE 126   6.616  -3.325  -2.009
  961   HD13  ILE 126          HD13      ILE 126   5.676  -4.277  -3.162
  962    H    ASP 127           H        ASP 127  11.236  -5.890  -3.866
  963    HA   ASP 127           HA       ASP 127  10.530  -7.452  -6.225
  964    HB2  ASP 127           HB2      ASP 127  12.650  -8.320  -6.081
  965    HB3  ASP 127           HB3      ASP 127  12.935  -6.792  -5.288
  966    H    THR 128           H        THR 128   9.324  -7.117  -3.322
  967    HA   THR 128           HA       THR 128   8.533  -9.872  -2.950
  968    HB   THR 128           HB       THR 128  10.239  -8.386  -0.945
  969    HG1  THR 128           HG1      THR 128  11.592  -9.502  -2.214
  970   HG21  THR 128          HG21      THR 128   8.481  -9.362   0.313
  971   HG22  THR 128          HG22      THR 128   9.906 -10.385   0.516
  972   HG23  THR 128          HG23      THR 128   8.609 -10.884  -0.572
  973    H    VAL 129           H        VAL 129   6.398  -9.759  -2.361
  974    HA   VAL 129           HA       VAL 129   5.308  -7.310  -1.374
  975    HB   VAL 129           HB       VAL 129   4.065 -10.050  -1.719
  976   HG11  VAL 129          HG11      VAL 129   3.012  -8.842   0.104
  977   HG12  VAL 129          HG12      VAL 129   1.943  -8.946  -1.290
  978   HG13  VAL 129          HG13      VAL 129   2.789  -7.441  -0.939
  979   HG21  VAL 129          HG21      VAL 129   3.722  -7.467  -3.247
  980   HG22  VAL 129          HG22      VAL 129   2.888  -8.985  -3.579
  981   HG23  VAL 129          HG23      VAL 129   4.636  -8.870  -3.799
  Start of MODEL    2
    1    H1   MET   1           H1       MET   1 -21.707  11.570  -9.010
    2    H2   MET   1           H2       MET   1 -22.134  11.591  -7.376
    3    H3   MET   1           H3       MET   1 -21.251  10.296  -7.997
    4    HA   MET   1           HA       MET   1 -19.376  11.704  -8.432
    5    HB2  MET   1           HB2      MET   1 -21.083  13.858  -7.166
    6    HB3  MET   1           HB3      MET   1 -19.377  14.021  -7.548
    7    HG2  MET   1           HG2      MET   1 -21.610  13.592  -9.514
    8    HG3  MET   1           HG3      MET   1 -20.742  15.097  -9.225
    9    HE1  MET   1           HE1      MET   1 -21.110  13.828 -12.125
   10    HE2  MET   1           HE2      MET   1 -19.493  14.074 -12.783
   11    HE3  MET   1           HE3      MET   1 -20.247  15.332 -11.805
   12    H    ALA   2           H        ALA   2 -18.829   9.987  -7.013
   13    HA   ALA   2           HA       ALA   2 -18.337  10.934  -4.298
   14    HB1  ALA   2           HB1      ALA   2 -20.411   9.663  -4.107
   15    HB2  ALA   2           HB2      ALA   2 -19.087   8.811  -3.311
   16    HB3  ALA   2           HB3      ALA   2 -19.651   8.281  -4.896
   17    H    THR   3           H        THR   3 -16.516  10.007  -3.346
   18    HA   THR   3           HA       THR   3 -14.437   9.168  -5.030
   19    HB   THR   3           HB       THR   3 -14.639   8.633  -2.061
   20    HG1  THR   3           HG1      THR   3 -13.985  11.024  -3.473
   21   HG21  THR   3          HG21      THR   3 -12.702   7.664  -3.300
   22   HG22  THR   3          HG22      THR   3 -12.247   8.833  -2.061
   23   HG23  THR   3          HG23      THR   3 -12.236   9.303  -3.762
   24    H    ILE   4           H        ILE   4 -13.513   7.154  -5.405
   25    HA   ILE   4           HA       ILE   4 -15.249   5.017  -5.772
   26    HB   ILE   4           HB       ILE   4 -13.068   3.637  -6.019
   27   HG12  ILE   4          HG12      ILE   4 -11.132   5.173  -6.637
   28   HG13  ILE   4          HG13      ILE   4 -11.984   6.449  -5.781
   29   HG21  ILE   4          HG21      ILE   4 -12.721   4.598  -8.257
   30   HG22  ILE   4          HG22      ILE   4 -13.717   5.979  -7.796
   31   HG23  ILE   4          HG23      ILE   4 -14.426   4.366  -7.868
   32   HD11  ILE   4          HD11      ILE   4 -11.043   3.862  -4.567
   33   HD12  ILE   4          HD12      ILE   4 -11.838   5.189  -3.717
   34   HD13  ILE   4          HD13      ILE   4 -10.239   5.425  -4.422
   35    H    VAL   5           H        VAL   5 -13.518   5.860  -2.933
   36    HA   VAL   5           HA       VAL   5 -13.894   3.245  -1.741
   37    HB   VAL   5           HB       VAL   5 -11.870   4.270  -1.059
   38   HG11  VAL   5          HG11      VAL   5 -13.478   6.719  -0.429
   39   HG12  VAL   5          HG12      VAL   5 -12.240   6.544  -1.680
   40   HG13  VAL   5          HG13      VAL   5 -11.785   6.494   0.026
   41   HG21  VAL   5          HG21      VAL   5 -12.959   3.149   0.723
   42   HG22  VAL   5          HG22      VAL   5 -13.942   4.573   1.059
   43   HG23  VAL   5          HG23      VAL   5 -12.207   4.611   1.364
   44    H    ASP   6           H        ASP   6 -15.173   6.491  -1.583
   45    HA   ASP   6           HA       ASP   6 -16.855   6.302   0.611
   46    HB2  ASP   6           HB2      ASP   6 -16.409   8.395  -0.623
   47    HB3  ASP   6           HB3      ASP   6 -17.353   7.797  -1.970
   48    H    ILE   7           H        ILE   7 -17.515   5.755  -2.794
   49    HA   ILE   7           HA       ILE   7 -20.136   4.929  -2.674
   50    HB   ILE   7           HB       ILE   7 -18.047   3.836  -4.556
   51   HG12  ILE   7          HG12      ILE   7 -19.839   6.183  -5.084
   52   HG13  ILE   7          HG13      ILE   7 -18.311   6.407  -4.236
   53   HG21  ILE   7          HG21      ILE   7 -20.103   2.603  -4.722
   54   HG22  ILE   7          HG22      ILE   7 -20.006   3.693  -6.106
   55   HG23  ILE   7          HG23      ILE   7 -21.048   4.091  -4.736
   56   HD11  ILE   7          HD11      ILE   7 -18.163   6.837  -6.653
   57   HD12  ILE   7          HD12      ILE   7 -18.577   5.147  -6.951
   58   HD13  ILE   7          HD13      ILE   7 -17.087   5.557  -6.097
   59    H    ALA   8           H        ALA   8 -17.337   3.154  -1.601
   60    HA   ALA   8           HA       ALA   8 -18.304   0.535  -1.824
   61    HB1  ALA   8           HB1      ALA   8 -16.740  -0.034  -0.027
   62    HB2  ALA   8           HB2      ALA   8 -16.517   1.682   0.320
   63    HB3  ALA   8           HB3      ALA   8 -15.992   1.019  -1.228
   64    H    VAL   9           H        VAL   9 -18.844   3.000   0.657
   65    HA   VAL   9           HA       VAL   9 -20.499   1.326   2.295
   66    HB   VAL   9           HB       VAL   9 -20.439   4.349   2.194
   67   HG11  VAL   9          HG11      VAL   9 -21.226   4.209   4.507
   68   HG12  VAL   9          HG12      VAL   9 -21.285   2.451   4.381
   69   HG13  VAL   9          HG13      VAL   9 -22.357   3.444   3.392
   70   HG21  VAL   9          HG21      VAL   9 -18.193   3.489   2.549
   71   HG22  VAL   9          HG22      VAL   9 -18.775   2.465   3.861
   72   HG23  VAL   9          HG23      VAL   9 -18.816   4.220   4.027
   73    H    ASN  10           H        ASN  10 -20.934   3.118  -0.570
   74    HA   ASN  10           HA       ASN  10 -23.791   3.539  -0.269
   75    HB2  ASN  10           HB2      ASN  10 -22.330   5.238  -1.324
   76    HB3  ASN  10           HB3      ASN  10 -21.910   4.087  -2.573
   77   HD21  ASN  10          HD21      ASN  10 -22.605   5.484  -4.124
   78   HD22  ASN  10          HD22      ASN  10 -24.276   5.745  -4.445
   79    H    THR  11           H        THR  11 -21.658   1.223  -1.705
   80    HA   THR  11           HA       THR  11 -23.118   0.497  -3.960
   81    HB   THR  11           HB       THR  11 -21.881  -1.727  -3.699
   82    HG1  THR  11           HG1      THR  11 -21.482  -1.111  -1.354
   83   HG21  THR  11          HG21      THR  11 -20.335   0.851  -3.912
   84   HG22  THR  11          HG22      THR  11 -21.215   0.067  -5.225
   85   HG23  THR  11          HG23      THR  11 -19.808  -0.722  -4.510
   86    HA   PRO  12           HA       PRO  12 -26.303  -2.079  -2.208
   87    HB2  PRO  12           HB2      PRO  12 -27.116  -2.722  -4.898
   88    HB3  PRO  12           HB3      PRO  12 -27.910  -1.649  -3.751
   89    HG2  PRO  12           HG2      PRO  12 -26.722  -0.789  -6.053
   90    HG3  PRO  12           HG3      PRO  12 -26.910   0.217  -4.608
   91    HD2  PRO  12           HD2      PRO  12 -24.528  -1.328  -5.546
   92    HD3  PRO  12           HD3      PRO  12 -24.614   0.319  -4.892
   93    H    GLY  13           H        GLY  13 -24.160  -3.401  -1.830
   94    HA2  GLY  13           HA2      GLY  13 -23.542  -5.619  -1.590
   95    HA3  GLY  13           HA3      GLY  13 -24.869  -6.062  -2.655
   96    H    PHE  14           H        PHE  14 -22.086  -3.937  -3.192
   97    HA   PHE  14           HA       PHE  14 -21.515  -5.010  -5.755
   98    HB2  PHE  14           HB2      PHE  14 -20.693  -2.792  -4.383
   99    HB3  PHE  14           HB3      PHE  14 -19.242  -3.784  -4.341
  100    HD1  PHE  14           HD1      PHE  14 -21.797  -2.431  -6.683
  101    HD2  PHE  14           HD2      PHE  14 -17.802  -3.795  -6.155
  102    HE1  PHE  14           HE1      PHE  14 -21.253  -1.709  -8.970
  103    HE2  PHE  14           HE2      PHE  14 -17.250  -3.074  -8.440
  104    HZ   PHE  14           HZ       PHE  14 -18.976  -2.030  -9.850
  105    H    SER  15           H        SER  15 -18.915  -5.501  -5.987
  106    HA   SER  15           HA       SER  15 -18.496  -8.127  -5.146
  107    HB2  SER  15           HB2      SER  15 -16.404  -6.086  -5.927
  108    HB3  SER  15           HB3      SER  15 -16.259  -7.840  -6.033
  109    HG   SER  15           HG       SER  15 -17.066  -7.642  -7.952
  110    H    THR  16           H        THR  16 -16.810  -8.931  -3.719
  111    HA   THR  16           HA       THR  16 -17.107  -7.966  -1.112
  112    HB   THR  16           HB       THR  16 -14.818  -9.722  -1.981
  113    HG1  THR  16           HG1      THR  16 -17.569 -10.433  -1.652
  114   HG21  THR  16          HG21      THR  16 -15.204 -10.802   0.179
  115   HG22  THR  16          HG22      THR  16 -16.558  -9.716   0.489
  116   HG23  THR  16          HG23      THR  16 -14.918  -9.075   0.387
  117    H    LEU  17           H        LEU  17 -14.944  -7.038  -3.588
  118    HA   LEU  17           HA       LEU  17 -12.748  -6.108  -2.151
  119    HB2  LEU  17           HB2      LEU  17 -13.992  -5.075  -4.695
  120    HB3  LEU  17           HB3      LEU  17 -12.488  -4.457  -4.048
  121    HG   LEU  17           HG       LEU  17 -11.905  -5.974  -5.758
  122   HD11  LEU  17          HD11      LEU  17 -10.561  -6.163  -3.724
  123   HD12  LEU  17          HD12      LEU  17 -10.646  -7.687  -4.607
  124   HD13  LEU  17          HD13      LEU  17 -11.616  -7.457  -3.153
  125   HD21  LEU  17          HD21      LEU  17 -13.710  -8.014  -4.469
  126   HD22  LEU  17          HD22      LEU  17 -12.711  -8.257  -5.901
  127   HD23  LEU  17          HD23      LEU  17 -14.056  -7.120  -5.948
  128    H    VAL  18           H        VAL  18 -15.974  -4.736  -2.500
  129    HA   VAL  18           HA       VAL  18 -15.117  -2.129  -1.571
  130    HB   VAL  18           HB       VAL  18 -17.358  -1.420  -1.695
  131   HG11  VAL  18          HG11      VAL  18 -16.338  -1.824  -3.852
  132   HG12  VAL  18          HG12      VAL  18 -18.074  -2.126  -3.918
  133   HG13  VAL  18          HG13      VAL  18 -16.945  -3.480  -3.842
  134   HG21  VAL  18          HG21      VAL  18 -19.286  -2.917  -1.921
  135   HG22  VAL  18          HG22      VAL  18 -18.417  -3.206  -0.404
  136   HG23  VAL  18          HG23      VAL  18 -18.217  -4.314  -1.770
  137    H    THR  19           H        THR  19 -16.375  -5.063  -0.237
  138    HA   THR  19           HA       THR  19 -16.949  -3.846   2.298
  139    HB   THR  19           HB       THR  19 -16.800  -6.801   1.896
  140    HG1  THR  19           HG1      THR  19 -18.837  -6.740   0.969
  141   HG21  THR  19          HG21      THR  19 -18.698  -6.704   3.511
  142   HG22  THR  19          HG22      THR  19 -18.494  -4.950   3.586
  143   HG23  THR  19          HG23      THR  19 -17.206  -6.017   4.150
  144    H    ALA  20           H        ALA  20 -14.335  -5.592   0.832
  145    HA   ALA  20           HA       ALA  20 -12.964  -6.343   3.164
  146    HB1  ALA  20           HB1      ALA  20 -12.521  -7.205   0.900
  147    HB2  ALA  20           HB2      ALA  20 -11.074  -6.699   1.771
  148    HB3  ALA  20           HB3      ALA  20 -11.757  -5.667   0.514
  149    H    VAL  21           H        VAL  21 -12.995  -3.270   1.422
  150    HA   VAL  21           HA       VAL  21 -11.093  -2.116   3.274
  151    HB   VAL  21           HB       VAL  21 -11.003  -1.000   1.232
  152   HG11  VAL  21          HG11      VAL  21 -12.961  -0.131   0.026
  153   HG12  VAL  21          HG12      VAL  21 -14.018  -0.833   1.250
  154   HG13  VAL  21          HG13      VAL  21 -13.037  -1.881   0.225
  155   HG21  VAL  21          HG21      VAL  21 -12.793   0.596   3.053
  156   HG22  VAL  21          HG22      VAL  21 -11.924   1.269   1.667
  157   HG23  VAL  21          HG23      VAL  21 -11.024   0.593   3.029
  158    H    LYS  22           H        LYS  22 -14.597  -2.238   2.918
  159    HA   LYS  22           HA       LYS  22 -15.276  -0.370   4.880
  160    HB2  LYS  22           HB2      LYS  22 -16.650  -2.618   3.527
  161    HB3  LYS  22           HB3      LYS  22 -17.382  -2.040   4.997
  162    HG2  LYS  22           HG2      LYS  22 -17.425   0.204   4.006
  163    HG3  LYS  22           HG3      LYS  22 -16.812  -0.456   2.510
  164    HD2  LYS  22           HD2      LYS  22 -19.375  -1.297   3.830
  165    HD3  LYS  22           HD3      LYS  22 -19.246  -0.108   2.540
  166    HE2  LYS  22           HE2      LYS  22 -18.234  -1.830   1.098
  167    HE3  LYS  22           HE3      LYS  22 -18.483  -3.002   2.375
  168    HZ1  LYS  22           HZ1      LYS  22 -20.871  -2.574   2.234
  169    HZ2  LYS  22           HZ2      LYS  22 -20.251  -3.142   0.769
  170    HZ3  LYS  22           HZ3      LYS  22 -20.602  -1.500   0.958
  171    H    VAL  23           H        VAL  23 -14.649  -3.816   5.049
  172    HA   VAL  23           HA       VAL  23 -15.330  -4.058   7.830
  173    HB   VAL  23           HB       VAL  23 -15.519  -5.982   6.317
  174   HG11  VAL  23          HG11      VAL  23 -12.506  -5.867   6.149
  175   HG12  VAL  23          HG12      VAL  23 -13.633  -5.469   4.846
  176   HG13  VAL  23          HG13      VAL  23 -13.544  -7.125   5.466
  177   HG21  VAL  23          HG21      VAL  23 -14.457  -7.627   7.756
  178   HG22  VAL  23          HG22      VAL  23 -15.159  -6.319   8.714
  179   HG23  VAL  23          HG23      VAL  23 -13.418  -6.372   8.434
  180    H    ALA  24           H        ALA  24 -12.454  -3.610   5.927
  181    HA   ALA  24           HA       ALA  24 -10.588  -3.860   8.058
  182    HB1  ALA  24           HB1      ALA  24  -8.967  -3.072   6.523
  183    HB2  ALA  24           HB2      ALA  24 -10.214  -2.419   5.465
  184    HB3  ALA  24           HB3      ALA  24 -10.052  -4.165   5.660
  185    H    ASN  25           H        ASN  25 -12.843  -1.561   7.324
  186    HA   ASN  25           HA       ASN  25 -13.373   0.457   8.053
  187    HB2  ASN  25           HB2      ASN  25 -12.784   1.050  10.177
  188    HB3  ASN  25           HB3      ASN  25 -12.405  -0.660  10.157
  189   HD21  ASN  25          HD21      ASN  25 -10.832   2.508   9.717
  190   HD22  ASN  25          HD22      ASN  25  -9.326   2.018  10.414
  191    H    LEU  26           H        LEU  26 -11.044   0.026   6.041
  192    HA   LEU  26           HA       LEU  26  -9.743   2.605   6.247
  193    HB2  LEU  26           HB2      LEU  26  -9.406   0.260   4.456
  194    HB3  LEU  26           HB3      LEU  26  -8.871   1.834   3.886
  195    HG   LEU  26           HG       LEU  26  -7.490   2.038   5.966
  196   HD11  LEU  26          HD11      LEU  26  -6.955  -0.149   7.072
  197   HD12  LEU  26          HD12      LEU  26  -8.394  -0.800   6.290
  198   HD13  LEU  26          HD13      LEU  26  -8.538   0.536   7.436
  199   HD21  LEU  26          HD21      LEU  26  -6.446   1.452   3.886
  200   HD22  LEU  26          HD22      LEU  26  -6.923  -0.239   4.077
  201   HD23  LEU  26          HD23      LEU  26  -5.740   0.478   5.177
  202    H    VAL  27           H        VAL  27 -12.697   1.880   5.468
  203    HA   VAL  27           HA       VAL  27 -13.212   3.050   2.997
  204    HB   VAL  27           HB       VAL  27 -14.740   2.232   5.280
  205   HG11  VAL  27          HG11      VAL  27 -16.646   3.764   5.076
  206   HG12  VAL  27          HG12      VAL  27 -15.690   4.790   4.005
  207   HG13  VAL  27          HG13      VAL  27 -15.200   4.574   5.689
  208   HG21  VAL  27          HG21      VAL  27 -16.500   1.968   3.510
  209   HG22  VAL  27          HG22      VAL  27 -14.967   1.166   3.158
  210   HG23  VAL  27          HG23      VAL  27 -15.370   2.703   2.372
  211    H    GLU  28           H        GLU  28 -12.751   4.509   6.161
  212    HA   GLU  28           HA       GLU  28 -13.079   7.184   5.101
  213    HB2  GLU  28           HB2      GLU  28 -12.196   7.766   7.473
  214    HB3  GLU  28           HB3      GLU  28 -13.810   7.094   7.278
  215    HG2  GLU  28           HG2      GLU  28 -13.085   4.939   7.965
  216    HG3  GLU  28           HG3      GLU  28 -11.391   5.436   7.929
  217    H    ALA  29           H        ALA  29 -10.508   4.956   5.466
  218    HA   ALA  29           HA       ALA  29  -8.415   6.854   5.723
  219    HB1  ALA  29           HB1      ALA  29  -6.911   5.008   5.577
  220    HB2  ALA  29           HB2      ALA  29  -8.156   3.981   4.870
  221    HB3  ALA  29           HB3      ALA  29  -8.292   4.504   6.550
  222    H    LEU  30           H        LEU  30  -9.409   4.709   3.067
  223    HA   LEU  30           HA       LEU  30  -7.629   5.595   1.127
  224    HB2  LEU  30           HB2      LEU  30 -10.423   4.691   0.536
  225    HB3  LEU  30           HB3      LEU  30  -9.014   4.557  -0.492
  226    HG   LEU  30           HG       LEU  30  -9.578   3.013   2.025
  227   HD11  LEU  30          HD11      LEU  30  -9.256   2.179  -0.844
  228   HD12  LEU  30          HD12      LEU  30 -10.780   2.290   0.036
  229   HD13  LEU  30          HD13      LEU  30  -9.567   1.103   0.518
  230   HD21  LEU  30          HD21      LEU  30  -7.484   1.827   1.574
  231   HD22  LEU  30          HD22      LEU  30  -7.219   3.527   1.965
  232   HD23  LEU  30          HD23      LEU  30  -7.118   2.981   0.291
  233    H    GLN  31           H        GLN  31 -10.237   7.291   2.437
  234    HA   GLN  31           HA       GLN  31 -11.189   8.752   0.213
  235    HB2  GLN  31           HB2      GLN  31 -11.199   9.590   3.109
  236    HB3  GLN  31           HB3      GLN  31 -12.242  10.201   1.831
  237    HG2  GLN  31           HG2      GLN  31 -12.245   7.298   2.369
  238    HG3  GLN  31           HG3      GLN  31 -13.020   8.361   3.525
  239   HE21  GLN  31          HE21      GLN  31 -13.963   6.310   1.594
  240   HE22  GLN  31          HE22      GLN  31 -15.274   7.099   0.793
  241    H    SER  32           H        SER  32  -8.206   8.840   1.617
  242    HA   SER  32           HA       SER  32  -7.489  11.461   2.025
  243    HB2  SER  32           HB2      SER  32  -5.174  10.631   1.318
  244    HB3  SER  32           HB3      SER  32  -5.969   9.757   2.627
  245    HG   SER  32           HG       SER  32  -6.212   8.952  -0.072
  246    HA   PRO  33           HA       PRO  33  -7.929  12.958  -2.209
  247    HB2  PRO  33           HB2      PRO  33  -8.065  15.557  -1.585
  248    HB3  PRO  33           HB3      PRO  33  -9.428  14.464  -1.317
  249    HG2  PRO  33           HG2      PRO  33  -7.452  15.559   0.630
  250    HG3  PRO  33           HG3      PRO  33  -9.186  15.266   0.837
  251    HD2  PRO  33           HD2      PRO  33  -7.172  13.598   1.742
  252    HD3  PRO  33           HD3      PRO  33  -8.853  13.105   1.468
  253    H    GLY  34           H        GLY  34  -5.465  13.619   0.095
  254    HA2  GLY  34           HA2      GLY  34  -3.950  15.462  -1.483
  255    HA3  GLY  34           HA3      GLY  34  -3.417  14.668  -0.011
  256    HA   PRO  35           HA       PRO  35  -0.842  12.870  -3.238
  257    HB2  PRO  35           HB2      PRO  35   1.268  12.297  -1.613
  258    HB3  PRO  35           HB3      PRO  35   1.014  13.852  -2.404
  259    HG2  PRO  35           HG2      PRO  35   0.670  13.095   0.409
  260    HG3  PRO  35           HG3      PRO  35   0.972  14.684  -0.296
  261    HD2  PRO  35           HD2      PRO  35  -1.490  13.700   0.660
  262    HD3  PRO  35           HD3      PRO  35  -1.229  15.180  -0.277
  263    H    PHE  36           H        PHE  36   0.254  10.778  -3.485
  264    HA   PHE  36           HA       PHE  36  -1.038   8.673  -1.934
  265    HB2  PHE  36           HB2      PHE  36  -2.527   8.381  -3.603
  266    HB3  PHE  36           HB3      PHE  36  -1.679   9.503  -4.651
  267    HD1  PHE  36           HD1      PHE  36   0.044   8.666  -6.218
  268    HD2  PHE  36           HD2      PHE  36  -2.338   6.034  -3.887
  269    HE1  PHE  36           HE1      PHE  36   0.635   6.803  -7.713
  270    HE2  PHE  36           HE2      PHE  36  -1.742   4.166  -5.363
  271    HZ   PHE  36           HZ       PHE  36  -0.252   4.552  -7.283
  272    H    THR  37           H        THR  37   0.408   7.221  -1.335
  273    HA   THR  37           HA       THR  37   2.790   6.853  -3.011
  274    HB   THR  37           HB       THR  37   2.499   6.641  -0.001
  275    HG1  THR  37           HG1      THR  37   3.271   8.598  -0.097
  276   HG21  THR  37          HG21      THR  37   4.859   6.039   0.047
  277   HG22  THR  37          HG22      THR  37   4.917   6.036  -1.717
  278   HG23  THR  37          HG23      THR  37   3.939   4.840  -0.860
  279    H    VAL  38           H        VAL  38   3.341   4.810  -3.607
  280    HA   VAL  38           HA       VAL  38   1.623   2.641  -2.618
  281    HB   VAL  38           HB       VAL  38   0.855   3.613  -4.852
  282   HG11  VAL  38          HG11      VAL  38   2.029   3.050  -6.831
  283   HG12  VAL  38          HG12      VAL  38   3.207   2.094  -5.931
  284   HG13  VAL  38          HG13      VAL  38   3.166   3.846  -5.742
  285   HG21  VAL  38          HG21      VAL  38   1.559   0.686  -4.702
  286   HG22  VAL  38          HG22      VAL  38   0.379   1.400  -5.800
  287   HG23  VAL  38          HG23      VAL  38   0.103   1.446  -4.059
  288    H    PHE  39           H        PHE  39   2.473   0.553  -2.821
  289    HA   PHE  39           HA       PHE  39   5.343   0.379  -3.444
  290    HB2  PHE  39           HB2      PHE  39   3.645  -1.428  -1.693
  291    HB3  PHE  39           HB3      PHE  39   5.355  -1.660  -2.033
  292    HD1  PHE  39           HD1      PHE  39   7.029  -0.149  -1.095
  293    HD2  PHE  39           HD2      PHE  39   2.906   0.200  -0.106
  294    HE1  PHE  39           HE1      PHE  39   7.616   1.246   0.845
  295    HE2  PHE  39           HE2      PHE  39   3.485   1.597   1.835
  296    HZ   PHE  39           HZ       PHE  39   5.844   2.122   2.312
  297    H    ALA  40           H        ALA  40   5.651  -0.418  -5.429
  298    HA   ALA  40           HA       ALA  40   3.491  -1.992  -6.644
  299    HB1  ALA  40           HB1      ALA  40   4.178   0.056  -7.802
  300    HB2  ALA  40           HB2      ALA  40   4.463  -1.381  -8.784
  301    HB3  ALA  40           HB3      ALA  40   5.811  -0.590  -7.966
  302    HA   PRO  41           HA       PRO  41   6.283  -5.488  -6.202
  303    HB2  PRO  41           HB2      PRO  41   4.447  -7.387  -6.723
  304    HB3  PRO  41           HB3      PRO  41   4.505  -6.542  -5.172
  305    HG2  PRO  41           HG2      PRO  41   2.692  -6.104  -7.505
  306    HG3  PRO  41           HG3      PRO  41   2.316  -6.087  -5.772
  307    HD2  PRO  41           HD2      PRO  41   2.707  -3.832  -7.287
  308    HD3  PRO  41           HD3      PRO  41   2.962  -3.911  -5.534
  309    H    ASN  42           H        ASN  42   7.623  -6.254  -7.754
  310    HA   ASN  42           HA       ASN  42   6.846  -5.927 -10.530
  311    HB2  ASN  42           HB2      ASN  42   9.089  -6.152 -11.107
  312    HB3  ASN  42           HB3      ASN  42   9.199  -5.457  -9.515
  313   HD21  ASN  42          HD21      ASN  42   9.951  -6.657  -7.842
  314   HD22  ASN  42          HD22      ASN  42  10.821  -8.125  -8.107
  315    H    ASP  43           H        ASP  43   8.025  -7.926 -11.892
  316    HA   ASP  43           HA       ASP  43   6.061  -9.929 -11.824
  317    HB2  ASP  43           HB2      ASP  43   8.784  -9.899 -13.128
  318    HB3  ASP  43           HB3      ASP  43   7.602 -11.180 -13.377
  319    H    ASP  44           H        ASP  44   9.054  -9.651 -10.100
  320    HA   ASP  44           HA       ASP  44   9.263 -12.489  -9.555
  321    HB2  ASP  44           HB2      ASP  44  11.276 -11.053  -9.821
  322    HB3  ASP  44           HB3      ASP  44  10.805 -10.197  -8.362
  323    H    ALA  45           H        ALA  45   7.886  -9.677  -8.239
  324    HA   ALA  45           HA       ALA  45   7.481 -10.708  -5.587
  325    HB1  ALA  45           HB1      ALA  45   7.713  -8.314  -6.052
  326    HB2  ALA  45           HB2      ALA  45   6.201  -8.703  -5.233
  327    HB3  ALA  45           HB3      ALA  45   6.207  -8.364  -6.967
  328    H    PHE  46           H        PHE  46   5.644 -10.311  -8.556
  329    HA   PHE  46           HA       PHE  46   3.203 -11.436  -7.785
  330    HB2  PHE  46           HB2      PHE  46   3.764 -10.335  -9.977
  331    HB3  PHE  46           HB3      PHE  46   4.626 -11.791 -10.434
  332    HD1  PHE  46           HD1      PHE  46   1.292 -10.432  -9.621
  333    HD2  PHE  46           HD2      PHE  46   3.494 -13.667 -11.288
  334    HE1  PHE  46           HE1      PHE  46  -0.789 -11.380 -10.526
  335    HE2  PHE  46           HE2      PHE  46   1.416 -14.619 -12.195
  336    HZ   PHE  46           HZ       PHE  46  -0.728 -13.475 -11.814
  337    H    ALA  47           H        ALA  47   6.295 -12.739  -8.253
  338    HA   ALA  47           HA       ALA  47   5.478 -15.504  -8.506
  339    HB1  ALA  47           HB1      ALA  47   7.363 -14.785  -9.791
  340    HB2  ALA  47           HB2      ALA  47   7.924 -15.919  -8.562
  341    HB3  ALA  47           HB3      ALA  47   8.176 -14.183  -8.349
  342    H    LYS  48           H        LYS  48   5.984 -13.310  -6.024
  343    HA   LYS  48           HA       LYS  48   6.854 -15.219  -4.009
  344    HB2  LYS  48           HB2      LYS  48   5.833 -12.424  -3.604
  345    HB3  LYS  48           HB3      LYS  48   6.774 -13.410  -2.495
  346    HG2  LYS  48           HG2      LYS  48   7.788 -12.504  -5.155
  347    HG3  LYS  48           HG3      LYS  48   8.042 -11.624  -3.654
  348    HD2  LYS  48           HD2      LYS  48   8.872 -14.470  -4.136
  349    HD3  LYS  48           HD3      LYS  48   9.940 -13.069  -4.286
  350    HE2  LYS  48           HE2      LYS  48   9.597 -12.534  -1.933
  351    HE3  LYS  48           HE3      LYS  48   8.487 -13.894  -1.773
  352    HZ1  LYS  48           HZ1      LYS  48  10.710 -14.407  -0.950
  353    HZ2  LYS  48           HZ2      LYS  48  11.358 -14.121  -2.484
  354    HZ3  LYS  48           HZ3      LYS  48  10.285 -15.402  -2.248
  355    H    LEU  49           H        LEU  49   4.015 -13.848  -5.300
  356    HA   LEU  49           HA       LEU  49   2.106 -13.938  -3.412
  357    HB2  LEU  49           HB2      LEU  49   2.004 -14.768  -6.281
  358    HB3  LEU  49           HB3      LEU  49   0.565 -14.667  -5.289
  359    HG   LEU  49           HG       LEU  49   2.461 -12.410  -5.930
  360   HD11  LEU  49          HD11      LEU  49   0.972 -12.997  -7.764
  361   HD12  LEU  49          HD12      LEU  49   0.584 -11.420  -7.073
  362   HD13  LEU  49          HD13      LEU  49  -0.416 -12.824  -6.688
  363   HD21  LEU  49          HD21      LEU  49   1.721 -12.090  -3.709
  364   HD22  LEU  49          HD22      LEU  49   0.061 -12.517  -4.129
  365   HD23  LEU  49          HD23      LEU  49   0.768 -11.018  -4.735
  366    HA   PRO  50           HA       PRO  50   1.685 -18.959  -4.098
  367    HB2  PRO  50           HB2      PRO  50   4.678 -19.010  -3.901
  368    HB3  PRO  50           HB3      PRO  50   3.582 -20.212  -4.595
  369    HG2  PRO  50           HG2      PRO  50   4.897 -18.496  -6.158
  370    HG3  PRO  50           HG3      PRO  50   3.229 -18.973  -6.521
  371    HD2  PRO  50           HD2      PRO  50   4.273 -16.390  -5.517
  372    HD3  PRO  50           HD3      PRO  50   2.769 -16.741  -6.398
  373    H    ASP  51           H        ASP  51   4.192 -17.183  -2.276
  374    HA   ASP  51           HA       ASP  51   3.751 -18.690   0.139
  375    HB2  ASP  51           HB2      ASP  51   5.379 -16.274  -0.580
  376    HB3  ASP  51           HB3      ASP  51   5.089 -16.654   1.113
  377    H    GLY  52           H        GLY  52   3.413 -15.175  -0.423
  378    HA2  GLY  52           HA2      GLY  52   1.311 -14.061  -0.306
  379    HA3  GLY  52           HA3      GLY  52   0.705 -15.367   0.693
  380    H    THR  53           H        THR  53   3.059 -12.718   0.707
  381    HA   THR  53           HA       THR  53   3.214 -12.392   3.509
  382    HB   THR  53           HB       THR  53   3.476 -10.362   1.299
  383    HG1  THR  53           HG1      THR  53   5.349 -11.241   0.985
  384   HG21  THR  53          HG21      THR  53   3.119  -9.137   3.301
  385   HG22  THR  53          HG22      THR  53   4.858  -9.101   2.991
  386   HG23  THR  53          HG23      THR  53   4.205 -10.189   4.216
  387    H    ILE  54           H        ILE  54   1.305 -10.738   1.033
  388    HA   ILE  54           HA       ILE  54  -0.138  -9.068   2.706
  389    HB   ILE  54           HB       ILE  54  -0.326  -9.953  -0.078
  390   HG12  ILE  54          HG12      ILE  54  -0.650  -7.507  -0.403
  391   HG13  ILE  54          HG13      ILE  54  -0.686  -7.306   1.347
  392   HG21  ILE  54          HG21      ILE  54  -2.568  -9.010  -0.451
  393   HG22  ILE  54          HG22      ILE  54  -2.793  -8.904   1.294
  394   HG23  ILE  54          HG23      ILE  54  -2.600 -10.478   0.526
  395   HD11  ILE  54          HD11      ILE  54   1.609  -8.188   1.469
  396   HD12  ILE  54          HD12      ILE  54   1.481  -6.719   0.497
  397   HD13  ILE  54          HD13      ILE  54   1.635  -8.288  -0.294
  398    H    THR  55           H        THR  55  -0.520 -12.415   2.020
  399    HA   THR  55           HA       THR  55  -3.157 -12.771   2.933
  400    HB   THR  55           HB       THR  55  -0.869 -14.709   2.978
  401    HG1  THR  55           HG1      THR  55  -1.850 -15.454   1.025
  402   HG21  THR  55          HG21      THR  55  -3.830 -15.250   3.133
  403   HG22  THR  55          HG22      THR  55  -2.736 -15.280   4.515
  404   HG23  THR  55          HG23      THR  55  -2.533 -16.447   3.201
  405    H    SER  56           H        SER  56  -0.077 -12.566   4.594
  406    HA   SER  56           HA       SER  56  -1.209 -13.240   7.143
  407    HB2  SER  56           HB2      SER  56   1.131 -13.780   6.733
  408    HB3  SER  56           HB3      SER  56   1.488 -12.093   6.378
  409    HG   SER  56           HG       SER  56   0.601 -13.127   8.873
  410    H    LEU  57           H        LEU  57  -0.703 -10.515   5.201
  411    HA   LEU  57           HA       LEU  57  -0.889  -8.520   7.223
  412    HB2  LEU  57           HB2      LEU  57  -0.752  -8.581   4.313
  413    HB3  LEU  57           HB3      LEU  57  -1.470  -7.155   5.015
  414    HG   LEU  57           HG       LEU  57   0.554  -6.703   6.262
  415   HD11  LEU  57          HD11      LEU  57   2.578  -8.063   5.946
  416   HD12  LEU  57          HD12      LEU  57   1.625  -9.238   5.038
  417   HD13  LEU  57          HD13      LEU  57   1.282  -8.954   6.744
  418   HD21  LEU  57          HD21      LEU  57   2.044  -6.165   4.446
  419   HD22  LEU  57          HD22      LEU  57   0.378  -5.908   3.919
  420   HD23  LEU  57          HD23      LEU  57   1.260  -7.351   3.404
  421    H    VAL  58           H        VAL  58  -3.178 -10.274   5.247
  422    HA   VAL  58           HA       VAL  58  -5.384  -8.562   5.927
  423    HB   VAL  58           HB       VAL  58  -5.424 -10.042   3.911
  424   HG11  VAL  58          HG11      VAL  58  -4.429 -12.046   4.679
  425   HG12  VAL  58          HG12      VAL  58  -6.125 -12.436   4.348
  426   HG13  VAL  58          HG13      VAL  58  -5.584 -12.188   6.020
  427   HG21  VAL  58          HG21      VAL  58  -7.475  -9.099   4.986
  428   HG22  VAL  58          HG22      VAL  58  -7.672 -10.637   5.829
  429   HG23  VAL  58          HG23      VAL  58  -7.748 -10.579   4.067
  430    H    GLN  59           H        GLN  59  -3.828 -11.376   7.280
  431    HA   GLN  59           HA       GLN  59  -5.828 -11.981   9.188
  432    HB2  GLN  59           HB2      GLN  59  -2.883 -12.526   9.475
  433    HB3  GLN  59           HB3      GLN  59  -4.222 -13.473  10.104
  434    HG2  GLN  59           HG2      GLN  59  -3.985 -13.089   7.187
  435    HG3  GLN  59           HG3      GLN  59  -2.903 -14.221   7.964
  436   HE21  GLN  59          HE21      GLN  59  -4.874 -14.755   6.005
  437   HE22  GLN  59          HE22      GLN  59  -6.033 -15.837   6.698
  438    H    ASN  60           H        ASN  60  -3.228  -9.865   8.880
  439    HA   ASN  60           HA       ASN  60  -2.989  -8.998  11.579
  440    HB2  ASN  60           HB2      ASN  60  -1.602  -8.661   9.024
  441    HB3  ASN  60           HB3      ASN  60  -1.617  -7.222  10.010
  442   HD21  ASN  60          HD21      ASN  60  -0.549 -10.488   9.737
  443   HD22  ASN  60          HD22      ASN  60   0.593 -10.453  11.037
  444    HA   PRO  61           HA       PRO  61  -5.446  -5.272  12.052
  445    HB2  PRO  61           HB2      PRO  61  -2.900  -3.860  11.298
  446    HB3  PRO  61           HB3      PRO  61  -4.083  -3.433  12.540
  447    HG2  PRO  61           HG2      PRO  61  -1.853  -4.712  13.197
  448    HG3  PRO  61           HG3      PRO  61  -3.397  -5.123  13.967
  449    HD2  PRO  61           HD2      PRO  61  -1.808  -6.655  12.011
  450    HD3  PRO  61           HD3      PRO  61  -3.018  -7.223  13.175
  451    HA   PRO  62           HA       PRO  62  -7.509  -3.515   8.666
  452    HB2  PRO  62           HB2      PRO  62  -6.189  -0.919   9.248
  453    HB3  PRO  62           HB3      PRO  62  -7.880  -1.255   8.875
  454    HG2  PRO  62           HG2      PRO  62  -7.140  -0.906  11.383
  455    HG3  PRO  62           HG3      PRO  62  -8.288  -2.191  10.964
  456    HD2  PRO  62           HD2      PRO  62  -5.433  -2.379  11.735
  457    HD3  PRO  62           HD3      PRO  62  -6.751  -3.532  11.999
  458    H    GLN  63           H        GLN  63  -4.110  -3.270   8.464
  459    HA   GLN  63           HA       GLN  63  -3.438  -2.023   6.166
  460    HB2  GLN  63           HB2      GLN  63  -1.624  -2.963   7.098
  461    HB3  GLN  63           HB3      GLN  63  -2.494  -4.395   7.607
  462    HG2  GLN  63           HG2      GLN  63  -1.086  -5.278   6.112
  463    HG3  GLN  63           HG3      GLN  63  -2.454  -4.882   5.075
  464   HE21  GLN  63          HE21      GLN  63  -1.209  -4.843   3.382
  465   HE22  GLN  63          HE22      GLN  63  -0.119  -3.574   2.983
  466    H    LEU  64           H        LEU  64  -5.373  -4.920   6.316
  467    HA   LEU  64           HA       LEU  64  -5.286  -5.862   3.733
  468    HB2  LEU  64           HB2      LEU  64  -6.656  -7.092   5.115
  469    HB3  LEU  64           HB3      LEU  64  -7.458  -5.676   5.769
  470    HG   LEU  64           HG       LEU  64  -8.405  -5.393   3.394
  471   HD11  LEU  64          HD11      LEU  64  -8.714  -7.480   2.155
  472   HD12  LEU  64          HD12      LEU  64  -7.648  -8.302   3.290
  473   HD13  LEU  64          HD13      LEU  64  -7.019  -7.011   2.269
  474   HD21  LEU  64          HD21      LEU  64 -10.339  -6.662   3.903
  475   HD22  LEU  64          HD22      LEU  64  -9.701  -6.020   5.429
  476   HD23  LEU  64          HD23      LEU  64  -9.435  -7.716   4.998
  477    H    GLY  65           H        GLY  65  -7.264  -3.238   5.015
  478    HA2  GLY  65           HA2      GLY  65  -8.951  -2.776   2.892
  479    HA3  GLY  65           HA3      GLY  65  -8.444  -1.540   4.016
  480    H    ARG  66           H        ARG  66  -5.654  -1.716   3.220
  481    HA   ARG  66           HA       ARG  66  -5.821   0.145   1.053
  482    HB2  ARG  66           HB2      ARG  66  -4.086   0.938   2.213
  483    HB3  ARG  66           HB3      ARG  66  -3.906  -0.574   3.090
  484    HG2  ARG  66           HG2      ARG  66  -2.985  -0.771   0.353
  485    HG3  ARG  66           HG3      ARG  66  -2.123   0.459   1.264
  486    HD2  ARG  66           HD2      ARG  66  -2.602  -2.156   2.566
  487    HD3  ARG  66           HD3      ARG  66  -1.401  -2.111   1.275
  488    HE   ARG  66           HE       ARG  66  -1.138  -1.086   3.934
  489   HH11  ARG  66          HH11      ARG  66  -0.092  -0.532   0.629
  490   HH12  ARG  66          HH12      ARG  66   1.415   0.173   1.094
  491   HH21  ARG  66          HH21      ARG  66   0.848  -0.158   4.546
  492   HH22  ARG  66          HH22      ARG  66   1.957   0.383   3.322
  493    H    ILE  67           H        ILE  67  -4.863  -3.159   1.506
  494    HA   ILE  67           HA       ILE  67  -3.288  -3.577  -0.757
  495    HB   ILE  67           HB       ILE  67  -5.115  -5.537   0.624
  496   HG12  ILE  67          HG12      ILE  67  -2.267  -4.746   1.266
  497   HG13  ILE  67          HG13      ILE  67  -3.687  -4.319   2.207
  498   HG21  ILE  67          HG21      ILE  67  -4.235  -6.348  -1.484
  499   HG22  ILE  67          HG22      ILE  67  -3.511  -7.213  -0.128
  500   HG23  ILE  67          HG23      ILE  67  -2.594  -5.962  -0.967
  501   HD11  ILE  67          HD11      ILE  67  -2.569  -6.133   3.275
  502   HD12  ILE  67          HD12      ILE  67  -2.581  -7.073   1.787
  503   HD13  ILE  67          HD13      ILE  67  -4.095  -6.718   2.613
  504    H    LEU  68           H        LEU  68  -6.764  -3.992  -0.272
  505    HA   LEU  68           HA       LEU  68  -7.487  -5.441  -2.443
  506    HB2  LEU  68           HB2      LEU  68  -8.937  -3.193  -1.103
  507    HB3  LEU  68           HB3      LEU  68  -9.670  -4.106  -2.398
  508    HG   LEU  68           HG       LEU  68 -10.514  -5.322  -0.730
  509   HD11  LEU  68          HD11      LEU  68  -8.980  -6.867  -1.774
  510   HD12  LEU  68          HD12      LEU  68  -9.161  -7.227  -0.057
  511   HD13  LEU  68          HD13      LEU  68  -7.717  -6.398  -0.638
  512   HD21  LEU  68          HD21      LEU  68  -8.216  -4.643   1.094
  513   HD22  LEU  68          HD22      LEU  68  -9.779  -5.346   1.559
  514   HD23  LEU  68          HD23      LEU  68  -9.690  -3.685   0.952
  515    H    LYS  69           H        LYS  69  -7.598  -1.849  -2.480
  516    HA   LYS  69           HA       LYS  69  -8.032  -2.039  -5.338
  517    HB2  LYS  69           HB2      LYS  69  -8.257   0.238  -3.402
  518    HB3  LYS  69           HB3      LYS  69  -8.318   0.494  -5.140
  519    HG2  LYS  69           HG2      LYS  69 -10.210  -1.151  -3.472
  520    HG3  LYS  69           HG3      LYS  69 -10.557   0.359  -4.317
  521    HD2  LYS  69           HD2      LYS  69 -10.018  -0.828  -6.463
  522    HD3  LYS  69           HD3      LYS  69  -9.931  -2.327  -5.541
  523    HE2  LYS  69           HE2      LYS  69 -12.105  -2.204  -6.506
  524    HE3  LYS  69           HE3      LYS  69 -12.272  -1.898  -4.778
  525    HZ1  LYS  69           HZ1      LYS  69 -13.594  -0.357  -6.077
  526    HZ2  LYS  69           HZ2      LYS  69 -12.219   0.175  -6.904
  527    HZ3  LYS  69           HZ3      LYS  69 -12.376   0.470  -5.248
  528    H    TYR  70           H        TYR  70  -5.716  -0.178  -3.287
  529    HA   TYR  70           HA       TYR  70  -4.191   0.147  -5.783
  530    HB2  TYR  70           HB2      TYR  70  -4.727   2.194  -3.646
  531    HB3  TYR  70           HB3      TYR  70  -3.498   2.400  -4.890
  532    HD1  TYR  70           HD1      TYR  70  -4.249   2.352  -7.322
  533    HD2  TYR  70           HD2      TYR  70  -6.969   2.751  -4.076
  534    HE1  TYR  70           HE1      TYR  70  -5.939   3.252  -8.860
  535    HE2  TYR  70           HE2      TYR  70  -8.670   3.653  -5.607
  536    HH   TYR  70           HH       TYR  70  -8.687   4.845  -7.849
  537    H    HIS  71           H        HIS  71  -3.945  -0.905  -2.544
  538    HA   HIS  71           HA       HIS  71  -2.220  -1.486  -1.194
  539    HB2  HIS  71           HB2      HIS  71  -0.534  -1.184  -3.684
  540    HB3  HIS  71           HB3      HIS  71  -0.015  -1.941  -2.187
  541    HD1  HIS  71           HD1      HIS  71  -1.951  -2.555  -5.287
  542    HD2  HIS  71           HD2      HIS  71  -1.060  -4.535  -1.748
  543    HE1  HIS  71           HE1      HIS  71  -2.620  -4.943  -5.669
  544    HE2  HIS  71           HE2      HIS  71  -1.897  -6.155  -3.582
  545    H    VAL  72           H        VAL  72  -3.110   1.124  -1.319
  546    HA   VAL  72           HA       VAL  72  -0.865   2.912  -1.770
  547    HB   VAL  72           HB       VAL  72  -2.995   3.376  -2.909
  548   HG11  VAL  72          HG11      VAL  72  -4.079   3.719  -0.124
  549   HG12  VAL  72          HG12      VAL  72  -4.507   2.435  -1.257
  550   HG13  VAL  72          HG13      VAL  72  -4.944   4.107  -1.611
  551   HG21  VAL  72          HG21      VAL  72  -1.551   5.270  -2.364
  552   HG22  VAL  72          HG22      VAL  72  -2.341   5.429  -0.797
  553   HG23  VAL  72          HG23      VAL  72  -3.254   5.728  -2.275
  554    H    VAL  73           H        VAL  73  -0.282   4.483  -0.397
  555    HA   VAL  73           HA       VAL  73  -1.623   4.809   2.153
  556    HB   VAL  73           HB       VAL  73   0.233   3.518   2.875
  557   HG11  VAL  73          HG11      VAL  73   1.550   3.827   0.733
  558   HG12  VAL  73          HG12      VAL  73   2.487   3.796   2.228
  559   HG13  VAL  73          HG13      VAL  73   2.145   5.334   1.437
  560   HG21  VAL  73          HG21      VAL  73  -0.254   5.548   4.161
  561   HG22  VAL  73          HG22      VAL  73   0.986   6.399   3.224
  562   HG23  VAL  73          HG23      VAL  73   1.438   5.052   4.272
  563    H    ALA  74           H        ALA  74  -2.228   6.841   2.265
  564    HA   ALA  74           HA       ALA  74  -1.467   8.841   0.403
  565    HB1  ALA  74           HB1      ALA  74  -3.618   8.940   1.449
  566    HB2  ALA  74           HB2      ALA  74  -2.702  10.360   1.964
  567    HB3  ALA  74           HB3      ALA  74  -2.892   8.982   3.059
  568    H    GLY  75           H        GLY  75  -0.182  10.540   0.543
  569    HA2  GLY  75           HA2      GLY  75   1.206  12.046   1.886
  570    HA3  GLY  75           HA3      GLY  75   1.602  10.657   2.890
  571    H    ALA  76           H        ALA  76   2.303  12.373   0.040
  572    HA   ALA  76           HA       ALA  76   3.760  10.559  -1.457
  573    HB1  ALA  76           HB1      ALA  76   4.759  12.471  -2.521
  574    HB2  ALA  76           HB2      ALA  76   4.301  13.505  -1.167
  575    HB3  ALA  76           HB3      ALA  76   3.055  12.803  -2.198
  576    H    TYR  77           H        TYR  77   5.209   9.284  -0.492
  577    HA   TYR  77           HA       TYR  77   7.385  10.581   1.027
  578    HB2  TYR  77           HB2      TYR  77   6.825   7.623   1.136
  579    HB3  TYR  77           HB3      TYR  77   7.746   8.612   2.249
  580    HD1  TYR  77           HD1      TYR  77   6.133  10.616   3.290
  581    HD2  TYR  77           HD2      TYR  77   4.920   6.751   1.997
  582    HE1  TYR  77           HE1      TYR  77   4.208  10.712   4.816
  583    HE2  TYR  77           HE2      TYR  77   2.984   6.837   3.506
  584    HH   TYR  77           HH       TYR  77   1.945   9.683   4.998
  585    H    LYS  78           H        LYS  78   9.018  10.939  -0.509
  586    HA   LYS  78           HA       LYS  78   9.909   9.191  -2.447
  587    HB2  LYS  78           HB2      LYS  78  11.104  11.387  -0.812
  588    HB3  LYS  78           HB3      LYS  78  12.141  10.396  -1.829
  589    HG2  LYS  78           HG2      LYS  78   9.709  11.876  -2.803
  590    HG3  LYS  78           HG3      LYS  78  11.353  12.385  -3.008
  591    HD2  LYS  78           HD2      LYS  78  11.825  10.245  -4.107
  592    HD3  LYS  78           HD3      LYS  78  10.077   9.953  -4.019
  593    HE2  LYS  78           HE2      LYS  78  10.313  10.898  -6.080
  594    HE3  LYS  78           HE3      LYS  78   9.858  12.233  -5.021
  595    HZ1  LYS  78           HZ1      LYS  78  12.152  12.936  -4.920
  596    HZ2  LYS  78           HZ2      LYS  78  11.679  12.845  -6.538
  597    HZ3  LYS  78           HZ3      LYS  78  12.645  11.626  -5.875
  598    H    ALA  79           H        ALA  79  11.907   7.845  -2.212
  599    HA   ALA  79           HA       ALA  79  11.494   5.868  -0.330
  600    HB1  ALA  79           HB1      ALA  79  12.826   5.508  -2.349
  601    HB2  ALA  79           HB2      ALA  79  13.695   4.993  -0.900
  602    HB3  ALA  79           HB3      ALA  79  14.110   6.520  -1.685
  603    H    THR  80           H        THR  80  13.284   8.830  -0.084
  604    HA   THR  80           HA       THR  80  15.007   7.928   2.072
  605    HB   THR  80           HB       THR  80  15.846   9.560   0.461
  606    HG1  THR  80           HG1      THR  80  15.772  11.283   2.573
  607   HG21  THR  80          HG21      THR  80  14.997  11.858   0.401
  608   HG22  THR  80          HG22      THR  80  13.715  11.414   1.527
  609   HG23  THR  80          HG23      THR  80  13.758  10.704  -0.085
  610    H    ASP  81           H        ASP  81  11.923   9.613   1.800
  611    HA   ASP  81           HA       ASP  81  11.977  10.716   4.430
  612    HB2  ASP  81           HB2      ASP  81  10.418  11.422   2.564
  613    HB3  ASP  81           HB3      ASP  81   9.523   9.932   2.837
  614    H    LEU  82           H        LEU  82  10.931   7.675   3.028
  615    HA   LEU  82           HA       LEU  82   9.834   6.538   5.328
  616    HB2  LEU  82           HB2      LEU  82  11.117   5.314   2.897
  617    HB3  LEU  82           HB3      LEU  82  10.245   4.394   4.104
  618    HG   LEU  82           HG       LEU  82   8.492   4.708   2.754
  619   HD11  LEU  82          HD11      LEU  82   7.971   6.143   4.684
  620   HD12  LEU  82          HD12      LEU  82   7.146   6.625   3.204
  621   HD13  LEU  82          HD13      LEU  82   8.559   7.524   3.760
  622   HD21  LEU  82          HD21      LEU  82   9.891   5.489   0.951
  623   HD22  LEU  82          HD22      LEU  82   9.807   7.126   1.599
  624   HD23  LEU  82          HD23      LEU  82   8.350   6.340   0.991
  625    H    LYS  83           H        LYS  83  13.118   6.154   3.976
  626    HA   LYS  83           HA       LYS  83  14.082   4.568   6.004
  627    HB2  LYS  83           HB2      LYS  83  16.062   6.191   4.628
  628    HB3  LYS  83           HB3      LYS  83  15.810   4.464   4.699
  629    HG2  LYS  83           HG2      LYS  83  14.109   4.651   3.042
  630    HG3  LYS  83           HG3      LYS  83  14.560   6.349   2.851
  631    HD2  LYS  83           HD2      LYS  83  16.424   4.010   2.464
  632    HD3  LYS  83           HD3      LYS  83  15.662   4.931   1.167
  633    HE2  LYS  83           HE2      LYS  83  16.820   6.948   1.909
  634    HE3  LYS  83           HE3      LYS  83  17.558   6.047   3.231
  635    HZ1  LYS  83           HZ1      LYS  83  18.620   4.620   1.546
  636    HZ2  LYS  83           HZ2      LYS  83  19.111   6.234   1.450
  637    HZ3  LYS  83           HZ3      LYS  83  18.001   5.623   0.330
  638    H    ARG  84           H        ARG  84  13.968   8.081   5.609
  639    HA   ARG  84           HA       ARG  84  15.597   8.872   7.674
  640    HB2  ARG  84           HB2      ARG  84  13.628   9.881   5.901
  641    HB3  ARG  84           HB3      ARG  84  13.252  10.444   7.499
  642    HG2  ARG  84           HG2      ARG  84  15.946  10.828   7.338
  643    HG3  ARG  84           HG3      ARG  84  15.395  11.203   5.712
  644    HD2  ARG  84           HD2      ARG  84  13.799  12.804   6.590
  645    HD3  ARG  84           HD3      ARG  84  14.274  12.394   8.238
  646    HE   ARG  84           HE       ARG  84  16.560  13.237   7.518
  647   HH11  ARG  84          HH11      ARG  84  13.563  14.483   6.201
  648   HH12  ARG  84          HH12      ARG  84  14.229  16.039   5.823
  649   HH21  ARG  84          HH21      ARG  84  17.435  15.285   7.023
  650   HH22  ARG  84          HH22      ARG  84  16.426  16.499   6.303
  651    H    MET  85           H        MET  85  12.357   7.611   7.565
  652    HA   MET  85           HA       MET  85  12.018   7.746  10.438
  653    HB2  MET  85           HB2      MET  85  10.344   6.434   8.297
  654    HB3  MET  85           HB3      MET  85   9.908   6.534   9.991
  655    HG2  MET  85           HG2      MET  85   9.851   8.957   9.829
  656    HG3  MET  85           HG3      MET  85  10.310   8.856   8.133
  657    HE1  MET  85           HE1      MET  85   7.778  10.515   9.012
  658    HE2  MET  85           HE2      MET  85   6.604   9.985   7.809
  659    HE3  MET  85           HE3      MET  85   8.276  10.285   7.336
  660    H    GLY  86           H        GLY  86  12.759   5.349   7.911
  661    HA2  GLY  86           HA2      GLY  86  13.669   3.219   8.174
  662    HA3  GLY  86           HA3      GLY  86  13.728   3.482   9.912
  663    H    ILE  87           H        ILE  87  10.777   4.189   8.499
  664    HA   ILE  87           HA       ILE  87   9.504   1.681   8.592
  665    HB   ILE  87           HB       ILE  87   9.887   2.525  11.082
  666   HG12  ILE  87          HG12      ILE  87   7.104   1.630  10.357
  667   HG13  ILE  87          HG13      ILE  87   8.476   0.549  10.186
  668   HG21  ILE  87          HG21      ILE  87   7.441   4.003  10.178
  669   HG22  ILE  87          HG22      ILE  87   8.956   4.713  10.741
  670   HG23  ILE  87          HG23      ILE  87   7.933   3.812  11.863
  671   HD11  ILE  87          HD11      ILE  87   8.949   0.848  12.586
  672   HD12  ILE  87          HD12      ILE  87   7.374   0.129  12.261
  673   HD13  ILE  87          HD13      ILE  87   7.490   1.830  12.713
  674    H    VAL  88           H        VAL  88   7.256   1.910   8.079
  675    HA   VAL  88           HA       VAL  88   6.491   4.545   7.026
  676    HB   VAL  88           HB       VAL  88   5.378   3.272   5.140
  677   HG11  VAL  88          HG11      VAL  88   8.336   3.472   5.525
  678   HG12  VAL  88          HG12      VAL  88   7.266   4.455   4.512
  679   HG13  VAL  88          HG13      VAL  88   7.672   2.809   4.026
  680   HG21  VAL  88          HG21      VAL  88   5.419   1.048   6.115
  681   HG22  VAL  88          HG22      VAL  88   7.188   1.083   6.180
  682   HG23  VAL  88          HG23      VAL  88   6.353   1.056   4.617
  683    H    THR  89           H        THR  89   4.379   5.112   7.400
  684    HA   THR  89           HA       THR  89   2.794   3.104   8.841
  685    HB   THR  89           HB       THR  89   2.180   6.047   8.863
  686    HG1  THR  89           HG1      THR  89   4.332   5.726   9.656
  687   HG21  THR  89          HG21      THR  89   1.563   3.735  10.723
  688   HG22  THR  89          HG22      THR  89   0.429   4.525   9.615
  689   HG23  THR  89          HG23      THR  89   1.085   5.420  10.991
  690    H    SER  90           H        SER  90   1.046   2.343   7.997
  691    HA   SER  90           HA       SER  90   0.343   2.866   5.314
  692    HB2  SER  90           HB2      SER  90  -0.935   1.221   7.517
  693    HB3  SER  90           HB3      SER  90  -1.505   1.219   5.834
  694    HG   SER  90           HG       SER  90   0.966   0.326   6.891
  695    H    LEU  91           H        LEU  91  -1.882   3.423   4.576
  696    HA   LEU  91           HA       LEU  91  -2.811   5.859   5.395
  697    HB2  LEU  91           HB2      LEU  91  -3.404   4.300   3.367
  698    HB3  LEU  91           HB3      LEU  91  -4.753   3.812   4.367
  699    HG   LEU  91           HG       LEU  91  -5.805   5.834   4.212
  700   HD11  LEU  91          HD11      LEU  91  -4.219   7.322   5.058
  701   HD12  LEU  91          HD12      LEU  91  -4.552   7.891   3.418
  702   HD13  LEU  91          HD13      LEU  91  -3.086   6.971   3.757
  703   HD21  LEU  91          HD21      LEU  91  -4.177   5.725   1.694
  704   HD22  LEU  91          HD22      LEU  91  -5.713   6.563   1.909
  705   HD23  LEU  91          HD23      LEU  91  -5.643   4.799   2.012
  706    H    GLU  92           H        GLU  92  -3.657   2.689   6.564
  707    HA   GLU  92           HA       GLU  92  -5.837   3.542   8.225
  708    HB2  GLU  92           HB2      GLU  92  -5.854   1.228   9.018
  709    HB3  GLU  92           HB3      GLU  92  -5.762   1.287   7.254
  710    HG2  GLU  92           HG2      GLU  92  -4.082  -0.161   7.446
  711    HG3  GLU  92           HG3      GLU  92  -3.124   1.200   8.022
  712    H    GLY  93           H        GLY  93  -2.433   3.200   8.519
  713    HA2  GLY  93           HA2      GLY  93  -1.388   4.400  10.393
  714    HA3  GLY  93           HA3      GLY  93  -2.617   3.692  11.419
  715    H    SER  94           H        SER  94  -1.501   1.411   9.153
  716    HA   SER  94           HA       SER  94  -0.084   0.032  11.216
  717    HB2  SER  94           HB2      SER  94  -1.165  -0.654   8.569
  718    HB3  SER  94           HB3      SER  94   0.290  -1.529   9.039
  719    HG   SER  94           HG       SER  94  -2.282  -1.724   9.992
  720    H    THR  95           H        THR  95   1.992   0.275  11.642
  721    HA   THR  95           HA       THR  95   3.767   1.501   9.739
  722    HB   THR  95           HB       THR  95   5.327   0.678  11.861
  723    HG1  THR  95           HG1      THR  95   3.421   1.773  13.382
  724   HG21  THR  95          HG21      THR  95   5.232   3.019  12.534
  725   HG22  THR  95          HG22      THR  95   3.772   3.247  11.570
  726   HG23  THR  95          HG23      THR  95   5.304   2.879  10.776
  727    H    ILE  96           H        ILE  96   5.375   0.631   8.641
  728    HA   ILE  96           HA       ILE  96   6.033  -2.208   8.986
  729    HB   ILE  96           HB       ILE  96   5.243  -0.790   6.480
  730   HG12  ILE  96          HG12      ILE  96   4.389  -3.197   6.014
  731   HG13  ILE  96          HG13      ILE  96   4.690  -3.461   7.728
  732   HG21  ILE  96          HG21      ILE  96   7.319  -2.934   6.638
  733   HG22  ILE  96          HG22      ILE  96   7.385  -1.393   5.784
  734   HG23  ILE  96          HG23      ILE  96   6.339  -2.687   5.194
  735   HD11  ILE  96          HD11      ILE  96   3.155  -1.636   8.270
  736   HD12  ILE  96          HD12      ILE  96   2.370  -2.907   7.332
  737   HD13  ILE  96          HD13      ILE  96   2.843  -1.398   6.551
  738    HA   PRO  97           HA       PRO  97   9.953  -0.234   9.519
  739    HB2  PRO  97           HB2      PRO  97  11.254  -2.828   9.197
  740    HB3  PRO  97           HB3      PRO  97  11.109  -1.827  10.640
  741    HG2  PRO  97           HG2      PRO  97   9.794  -4.182  10.329
  742    HG3  PRO  97           HG3      PRO  97   9.171  -2.847  11.312
  743    HD2  PRO  97           HD2      PRO  97   8.386  -3.718   8.568
  744    HD3  PRO  97           HD3      PRO  97   7.381  -3.090   9.890
  745    H    ILE  98           H        ILE  98  11.230   0.763   8.263
  746    HA   ILE  98           HA       ILE  98  11.792  -0.210   5.567
  747    HB   ILE  98           HB       ILE  98  11.992   2.516   6.835
  748   HG12  ILE  98          HG12      ILE  98   9.734   1.710   6.324
  749   HG13  ILE  98          HG13      ILE  98  10.186   3.082   5.325
  750   HG21  ILE  98          HG21      ILE  98  13.794   2.346   5.265
  751   HG22  ILE  98          HG22      ILE  98  12.522   3.345   4.564
  752   HG23  ILE  98          HG23      ILE  98  12.718   1.672   4.041
  753   HD11  ILE  98          HD11      ILE  98  10.449   1.743   3.423
  754   HD12  ILE  98          HD12      ILE  98   8.963   1.182   4.203
  755   HD13  ILE  98          HD13      ILE  98  10.457   0.258   4.374
  756    H    HIS  99           H        HIS  99  13.791  -0.490   4.825
  757    HA   HIS  99           HA       HIS  99  16.093   0.309   6.429
  758    HB2  HIS  99           HB2      HIS  99  15.610  -2.468   5.424
  759    HB3  HIS  99           HB3      HIS  99  17.187  -1.899   5.930
  760    HD1  HIS  99           HD1      HIS  99  14.055  -3.312   7.207
  761    HD2  HIS  99           HD2      HIS  99  17.314  -1.240   8.744
  762    HE1  HIS  99           HE1      HIS  99  13.916  -3.587   9.702
  763    HE2  HIS  99           HE2      HIS  99  15.783  -2.160  10.611
  764    H    GLY 100           H        GLY 100  18.167  -0.184   4.972
  765    HA2  GLY 100           HA2      GLY 100  18.030  -0.611   2.274
  766    HA3  GLY 100           HA3      GLY 100  17.671   1.097   2.457
  767    H    ASP 101           H        ASP 101  20.066  -1.042   1.849
  768    HA   ASP 101           HA       ASP 101  22.138   0.734   2.925
  769    HB2  ASP 101           HB2      ASP 101  22.427  -1.699   3.289
  770    HB3  ASP 101           HB3      ASP 101  22.445  -1.941   1.547
  771    H    ASN 102           H        ASN 102  21.354  -0.934  -0.135
  772    HA   ASN 102           HA       ASN 102  22.356   1.448  -1.525
  773    HB2  ASN 102           HB2      ASN 102  22.021  -1.380  -2.519
  774    HB3  ASN 102           HB3      ASN 102  22.320  -0.026  -3.597
  775   HD21  ASN 102          HD21      ASN 102  24.092   1.315  -1.688
  776   HD22  ASN 102          HD22      ASN 102  25.561   0.408  -1.696
  777    HA   PRO 103           HA       PRO 103  17.932   1.127  -3.168
  778    HB2  PRO 103           HB2      PRO 103  16.509  -1.074  -3.189
  779    HB3  PRO 103           HB3      PRO 103  17.927  -0.978  -4.243
  780    HG2  PRO 103           HG2      PRO 103  17.656  -2.292  -1.566
  781    HG3  PRO 103           HG3      PRO 103  18.367  -2.942  -3.056
  782    HD2  PRO 103           HD2      PRO 103  19.812  -1.769  -1.044
  783    HD3  PRO 103           HD3      PRO 103  20.346  -1.871  -2.725
  784    H    LEU 104           H        LEU 104  15.650   1.169  -2.292
  785    HA   LEU 104           HA       LEU 104  15.554   1.310   0.566
  786    HB2  LEU 104           HB2      LEU 104  14.178   2.749  -0.946
  787    HB3  LEU 104           HB3      LEU 104  13.274   1.319  -1.389
  788    HG   LEU 104           HG       LEU 104  12.697   1.093   1.085
  789   HD11  LEU 104          HD11      LEU 104  14.355   2.580   2.033
  790   HD12  LEU 104          HD12      LEU 104  12.739   3.219   2.350
  791   HD13  LEU 104          HD13      LEU 104  13.729   3.922   1.070
  792   HD21  LEU 104          HD21      LEU 104  11.695   3.421  -0.542
  793   HD22  LEU 104          HD22      LEU 104  10.912   2.792   0.912
  794   HD23  LEU 104          HD23      LEU 104  11.061   1.770  -0.517
  795    H    GLU 105           H        GLU 105  14.095   0.017   1.871
  796    HA   GLU 105           HA       GLU 105  13.636  -2.690   0.869
  797    HB2  GLU 105           HB2      GLU 105  15.325  -2.054   3.301
  798    HB3  GLU 105           HB3      GLU 105  14.804  -3.664   2.826
  799    HG2  GLU 105           HG2      GLU 105  16.239  -2.123   0.773
  800    HG3  GLU 105           HG3      GLU 105  17.185  -2.601   2.183
  801    H    VAL 106           H        VAL 106  11.571  -2.953   1.274
  802    HA   VAL 106           HA       VAL 106  10.434  -1.717   3.679
  803    HB   VAL 106           HB       VAL 106   9.230  -0.695   2.070
  804   HG11  VAL 106          HG11      VAL 106  10.536  -1.509   0.229
  805   HG12  VAL 106          HG12      VAL 106   8.822  -1.583  -0.188
  806   HG13  VAL 106          HG13      VAL 106   9.681  -3.055   0.263
  807   HG21  VAL 106          HG21      VAL 106   7.161  -1.956   1.357
  808   HG22  VAL 106          HG22      VAL 106   7.447  -1.846   3.099
  809   HG23  VAL 106          HG23      VAL 106   7.817  -3.342   2.234
  810    H    LYS 107           H        LYS 107  10.079  -3.035   5.267
  811    HA   LYS 107           HA       LYS 107  10.015  -4.878   6.517
  812    HB2  LYS 107           HB2      LYS 107   8.058  -6.405   6.129
  813    HB3  LYS 107           HB3      LYS 107   7.705  -4.711   6.368
  814    HG2  LYS 107           HG2      LYS 107   7.601  -4.591   3.798
  815    HG3  LYS 107           HG3      LYS 107   7.495  -6.346   3.882
  816    HD2  LYS 107           HD2      LYS 107   5.671  -4.631   5.516
  817    HD3  LYS 107           HD3      LYS 107   5.313  -4.957   3.823
  818    HE2  LYS 107           HE2      LYS 107   4.142  -6.496   5.310
  819    HE3  LYS 107           HE3      LYS 107   5.282  -7.347   4.272
  820    HZ1  LYS 107           HZ1      LYS 107   5.942  -6.551   7.049
  821    HZ2  LYS 107           HZ2      LYS 107   6.750  -7.667   6.063
  822    HZ3  LYS 107           HZ3      LYS 107   5.220  -8.033   6.679
  823    H    ASN 108           H        ASN 108   9.202  -6.603   3.515
  824    HA   ASN 108           HA       ASN 108  11.597  -8.229   3.929
  825    HB2  ASN 108           HB2      ASN 108  10.211 -10.288   3.483
  826    HB3  ASN 108           HB3      ASN 108   9.897  -9.517   5.032
  827   HD21  ASN 108          HD21      ASN 108   8.636 -10.280   1.906
  828   HD22  ASN 108          HD22      ASN 108   7.001  -9.812   2.221
  829    H    ALA 109           H        ALA 109  10.636  -6.137   2.086
  830    HA   ALA 109           HA       ALA 109  11.031  -7.603  -0.431
  831    HB1  ALA 109           HB1      ALA 109   9.211  -5.226  -0.029
  832    HB2  ALA 109           HB2      ALA 109   8.675  -6.903  -0.201
  833    HB3  ALA 109           HB3      ALA 109   9.487  -6.092  -1.542
  834    H    THR 110           H        THR 110  11.995  -6.237  -2.136
  835    HA   THR 110           HA       THR 110  13.732  -4.189  -0.999
  836    HB   THR 110           HB       THR 110  14.480  -6.175  -3.152
  837    HG1  THR 110           HG1      THR 110  15.200  -6.028  -0.371
  838   HG21  THR 110          HG21      THR 110  16.753  -5.284  -2.821
  839   HG22  THR 110          HG22      THR 110  16.117  -4.112  -1.664
  840   HG23  THR 110          HG23      THR 110  15.632  -4.034  -3.358
  841    H    VAL 111           H        VAL 111  13.859  -2.382  -2.124
  842    HA   VAL 111           HA       VAL 111  11.997  -2.021  -4.275
  843    HB   VAL 111           HB       VAL 111  13.709  -0.243  -2.637
  844   HG11  VAL 111          HG11      VAL 111  14.195   0.480  -4.929
  845   HG12  VAL 111          HG12      VAL 111  13.241   1.676  -4.054
  846   HG13  VAL 111          HG13      VAL 111  12.465   0.627  -5.240
  847   HG21  VAL 111          HG21      VAL 111  11.559   0.964  -2.417
  848   HG22  VAL 111          HG22      VAL 111  11.470  -0.720  -1.902
  849   HG23  VAL 111          HG23      VAL 111  10.817  -0.241  -3.469
  850    H    LEU 112           H        LEU 112  12.359  -2.123  -6.322
  851    HA   LEU 112           HA       LEU 112  15.040  -2.416  -7.390
  852    HB2  LEU 112           HB2      LEU 112  12.290  -2.607  -8.612
  853    HB3  LEU 112           HB3      LEU 112  13.754  -2.681  -9.572
  854    HG   LEU 112           HG       LEU 112  14.383  -4.667  -8.036
  855   HD11  LEU 112          HD11      LEU 112  12.132  -3.856  -6.759
  856   HD12  LEU 112          HD12      LEU 112  12.873  -5.453  -6.596
  857   HD13  LEU 112          HD13      LEU 112  11.528  -5.207  -7.730
  858   HD21  LEU 112          HD21      LEU 112  13.824  -4.899 -10.403
  859   HD22  LEU 112          HD22      LEU 112  12.106  -4.883 -10.007
  860   HD23  LEU 112          HD23      LEU 112  13.126  -6.215  -9.459
  861    H    ALA 113           H        ALA 113  12.299  -0.260  -7.426
  862    HA   ALA 113           HA       ALA 113  13.956   1.953  -8.288
  863    HB1  ALA 113           HB1      ALA 113  12.510   2.571 -10.162
  864    HB2  ALA 113           HB2      ALA 113  11.565   1.102  -9.921
  865    HB3  ALA 113           HB3      ALA 113  13.251   0.993 -10.425
  866    H    ALA 114           H        ALA 114  13.498   3.321  -6.683
  867    HA   ALA 114           HA       ALA 114  10.681   3.974  -6.221
  868    HB1  ALA 114           HB1      ALA 114  12.829   3.557  -4.158
  869    HB2  ALA 114           HB2      ALA 114  11.319   2.655  -4.327
  870    HB3  ALA 114           HB3      ALA 114  11.290   4.342  -3.813
  871    H    ASP 115           H        ASP 115  10.946   6.032  -4.523
  872    HA   ASP 115           HA       ASP 115  11.309   8.271  -4.454
  873    HB2  ASP 115           HB2      ASP 115  13.740   7.636  -4.442
  874    HB3  ASP 115           HB3      ASP 115  13.736   7.671  -6.198
  875    H    ILE 116           H        ILE 116   9.770   6.816  -6.364
  876    HA   ILE 116           HA       ILE 116   9.856   8.343  -8.829
  877    HB   ILE 116           HB       ILE 116   7.880   6.221  -8.051
  878   HG12  ILE 116          HG12      ILE 116  10.623   5.830  -9.241
  879   HG13  ILE 116          HG13      ILE 116  10.044   5.230  -7.705
  880   HG21  ILE 116          HG21      ILE 116   7.444   7.655 -10.015
  881   HG22  ILE 116          HG22      ILE 116   7.569   5.933 -10.390
  882   HG23  ILE 116          HG23      ILE 116   8.919   7.013 -10.753
  883   HD11  ILE 116          HD11      ILE 116   9.021   4.379 -10.402
  884   HD12  ILE 116          HD12      ILE 116   8.478   3.761  -8.842
  885   HD13  ILE 116          HD13      ILE 116  10.131   3.466  -9.380
  886    H    GLU 117           H        GLU 117   8.825  10.364  -8.500
  887    HA   GLU 117           HA       GLU 117   6.576  10.646  -6.949
  888    HB2  GLU 117           HB2      GLU 117   6.373  12.733  -8.562
  889    HB3  GLU 117           HB3      GLU 117   7.523  12.583  -7.234
  890    HG2  GLU 117           HG2      GLU 117   9.242  12.068  -8.502
  891    HG3  GLU 117           HG3      GLU 117   8.229  11.540  -9.839
  892    H    ALA 118           H        ALA 118   4.725   9.831  -7.161
  893    HA   ALA 118           HA       ALA 118   3.752   8.717  -9.624
  894    HB1  ALA 118           HB1      ALA 118   2.775   7.378  -8.148
  895    HB2  ALA 118           HB2      ALA 118   1.682   8.704  -7.749
  896    HB3  ALA 118           HB3      ALA 118   3.168   8.471  -6.817
  897    H    GLU 119           H        GLU 119   1.203   9.033  -9.788
  898    HA   GLU 119           HA       GLU 119   0.586  11.436 -10.943
  899    HB2  GLU 119           HB2      GLU 119  -1.837  10.815 -10.326
  900    HB3  GLU 119           HB3      GLU 119  -0.921   9.683 -11.311
  901    HG2  GLU 119           HG2      GLU 119  -0.453   8.332  -9.327
  902    HG3  GLU 119           HG3      GLU 119  -1.376   9.457  -8.332
  903    H    ASN 120           H        ASN 120  -0.110  10.512  -7.574
  904    HA   ASN 120           HA       ASN 120  -0.423  13.374  -6.976
  905    HB2  ASN 120           HB2      ASN 120  -1.765  10.959  -5.812
  906    HB3  ASN 120           HB3      ASN 120  -1.649  12.441  -4.882
  907   HD21  ASN 120          HD21      ASN 120  -3.777  12.891  -4.821
  908   HD22  ASN 120          HD22      ASN 120  -4.710  13.309  -6.220
  909    H    GLY 121           H        GLY 121   1.486  10.589  -6.340
  910    HA2  GLY 121           HA2      GLY 121   2.751  11.985  -4.096
  911    HA3  GLY 121           HA3      GLY 121   2.115  10.387  -3.803
  912    H    ILE 122           H        ILE 122   3.444   8.790  -4.010
  913    HA   ILE 122           HA       ILE 122   5.777   8.947  -5.734
  914    HB   ILE 122           HB       ILE 122   5.876   8.569  -2.749
  915   HG12  ILE 122          HG12      ILE 122   5.904  10.903  -3.730
  916   HG13  ILE 122          HG13      ILE 122   7.275  10.496  -2.699
  917   HG21  ILE 122          HG21      ILE 122   7.265   6.887  -3.830
  918   HG22  ILE 122          HG22      ILE 122   8.249   8.075  -2.974
  919   HG23  ILE 122          HG23      ILE 122   8.110   8.149  -4.730
  920   HD11  ILE 122          HD11      ILE 122   7.948   9.787  -5.364
  921   HD12  ILE 122          HD12      ILE 122   8.674  11.060  -4.324
  922   HD13  ILE 122          HD13      ILE 122   7.292  11.436  -5.380
  923    H    ILE 123           H        ILE 123   6.654   6.980  -6.253
  924    HA   ILE 123           HA       ILE 123   5.111   4.585  -5.440
  925    HB   ILE 123           HB       ILE 123   6.309   5.198  -8.158
  926   HG12  ILE 123          HG12      ILE 123   3.459   4.692  -7.310
  927   HG13  ILE 123          HG13      ILE 123   4.153   6.287  -7.581
  928   HG21  ILE 123          HG21      ILE 123   4.945   2.676  -7.193
  929   HG22  ILE 123          HG22      ILE 123   6.642   2.843  -7.644
  930   HG23  ILE 123          HG23      ILE 123   5.384   3.026  -8.866
  931   HD11  ILE 123          HD11      ILE 123   3.785   4.121  -9.636
  932   HD12  ILE 123          HD12      ILE 123   4.565   5.674  -9.929
  933   HD13  ILE 123          HD13      ILE 123   2.857   5.615  -9.494
  934    H    HIS 124           H        HIS 124   6.243   2.696  -5.070
  935    HA   HIS 124           HA       HIS 124   9.150   2.732  -5.509
  936    HB2  HIS 124           HB2      HIS 124   8.208   1.364  -3.037
  937    HB3  HIS 124           HB3      HIS 124   9.763   2.079  -3.389
  938    HD1  HIS 124           HD1      HIS 124   6.806   2.589  -1.442
  939    HD2  HIS 124           HD2      HIS 124   9.589   5.080  -3.258
  940    HE1  HIS 124           HE1      HIS 124   6.606   4.796  -0.261
  941    HE2  HIS 124           HE2      HIS 124   8.179   6.334  -1.484
  942    H    VAL 125           H        VAL 125   9.580   1.065  -6.775
  943    HA   VAL 125           HA       VAL 125   7.786  -1.198  -6.984
  944    HB   VAL 125           HB       VAL 125  10.434  -0.650  -8.343
  945   HG11  VAL 125          HG11      VAL 125  10.002  -2.998  -8.415
  946   HG12  VAL 125          HG12      VAL 125   9.631  -2.328 -10.004
  947   HG13  VAL 125          HG13      VAL 125   8.324  -2.729  -8.890
  948   HG21  VAL 125          HG21      VAL 125   8.786   1.044  -8.891
  949   HG22  VAL 125          HG22      VAL 125   7.614  -0.206  -9.313
  950   HG23  VAL 125          HG23      VAL 125   9.074  -0.003 -10.282
  951    H    ILE 126           H        ILE 126   8.079  -3.170  -6.009
  952    HA   ILE 126           HA       ILE 126  10.666  -3.647  -4.677
  953    HB   ILE 126           HB       ILE 126   9.622  -4.658  -2.793
  954   HG12  ILE 126          HG12      ILE 126   7.515  -5.240  -4.382
  955   HG13  ILE 126          HG13      ILE 126   7.467  -5.328  -2.627
  956   HG21  ILE 126          HG21      ILE 126   8.471  -2.739  -1.786
  957   HG22  ILE 126          HG22      ILE 126   8.364  -1.988  -3.382
  958   HG23  ILE 126          HG23      ILE 126   9.942  -2.281  -2.646
  959   HD11  ILE 126          HD11      ILE 126   6.462  -3.145  -2.508
  960   HD12  ILE 126          HD12      ILE 126   5.517  -4.189  -3.572
  961   HD13  ILE 126          HD13      ILE 126   6.582  -2.961  -4.259
  962    H    ASP 127           H        ASP 127  11.018  -5.913  -4.167
  963    HA   ASP 127           HA       ASP 127  10.397  -7.448  -6.533
  964    HB2  ASP 127           HB2      ASP 127  12.425  -8.499  -6.211
  965    HB3  ASP 127           HB3      ASP 127  12.752  -6.931  -5.517
  966    H    THR 128           H        THR 128   8.856  -7.152  -3.786
  967    HA   THR 128           HA       THR 128   8.214  -9.952  -3.540
  968    HB   THR 128           HB       THR 128   9.456  -8.372  -1.303
  969    HG1  THR 128           HG1      THR 128  10.955  -9.426  -2.607
  970   HG21  THR 128          HG21      THR 128   7.942 -10.971  -1.190
  971   HG22  THR 128          HG22      THR 128   7.632  -9.481  -0.288
  972   HG23  THR 128          HG23      THR 128   9.066 -10.446   0.064
  973    H    VAL 129           H        VAL 129   6.074 -10.117  -3.343
  974    HA   VAL 129           HA       VAL 129   4.438  -7.984  -2.346
  975    HB   VAL 129           HB       VAL 129   3.769 -10.852  -3.066
  976   HG11  VAL 129          HG11      VAL 129   1.949  -8.569  -2.356
  977   HG12  VAL 129          HG12      VAL 129   2.252 -10.011  -1.389
  978   HG13  VAL 129          HG13      VAL 129   1.435 -10.149  -2.944
  979   HG21  VAL 129          HG21      VAL 129   4.400  -9.517  -5.002
  980   HG22  VAL 129          HG22      VAL 129   3.235  -8.274  -4.542
  981   HG23  VAL 129          HG23      VAL 129   2.671  -9.877  -5.033
  Start of MODEL    3
    1    H1   MET   1           H1       MET   1 -20.966  14.853  -3.223
    2    H2   MET   1           H2       MET   1 -21.696  13.677  -4.190
    3    H3   MET   1           H3       MET   1 -21.186  15.137  -4.876
    4    HA   MET   1           HA       MET   1 -19.653  13.381  -5.425
    5    HB2  MET   1           HB2      MET   1 -18.494  15.278  -3.371
    6    HB3  MET   1           HB3      MET   1 -17.582  14.398  -4.585
    7    HG2  MET   1           HG2      MET   1 -18.716  15.636  -6.350
    8    HG3  MET   1           HG3      MET   1 -19.654  16.507  -5.140
    9    HE1  MET   1           HE1      MET   1 -17.984  17.991  -7.393
   10    HE2  MET   1           HE2      MET   1 -17.225  19.276  -6.454
   11    HE3  MET   1           HE3      MET   1 -18.905  18.835  -6.149
   12    H    ALA   2           H        ALA   2 -19.063  11.394  -4.893
   13    HA   ALA   2           HA       ALA   2 -18.655  10.778  -2.049
   14    HB1  ALA   2           HB1      ALA   2 -20.816   9.883  -2.795
   15    HB2  ALA   2           HB2      ALA   2 -19.681   8.602  -2.361
   16    HB3  ALA   2           HB3      ALA   2 -19.990   8.972  -4.059
   17    H    THR   3           H        THR   3 -16.647  10.214  -1.714
   18    HA   THR   3           HA       THR   3 -14.759   9.503  -3.655
   19    HB   THR   3           HB       THR   3 -14.734   8.808  -0.708
   20    HG1  THR   3           HG1      THR   3 -13.315  10.963  -1.109
   21   HG21  THR   3          HG21      THR   3 -12.345   8.813  -0.884
   22   HG22  THR   3          HG22      THR   3 -12.416   9.362  -2.560
   23   HG23  THR   3          HG23      THR   3 -12.975   7.743  -2.137
   24    H    ILE   4           H        ILE   4 -13.873   7.499  -4.231
   25    HA   ILE   4           HA       ILE   4 -15.653   5.436  -4.709
   26    HB   ILE   4           HB       ILE   4 -13.520   4.028  -5.114
   27   HG12  ILE   4          HG12      ILE   4 -11.539   5.575  -5.606
   28   HG13  ILE   4          HG13      ILE   4 -12.340   6.758  -4.584
   29   HG21  ILE   4          HG21      ILE   4 -14.047   6.557  -6.663
   30   HG22  ILE   4          HG22      ILE   4 -14.874   5.013  -6.867
   31   HG23  ILE   4          HG23      ILE   4 -13.160   5.154  -7.256
   32   HD11  ILE   4          HD11      ILE   4 -10.609   5.533  -3.390
   33   HD12  ILE   4          HD12      ILE   4 -11.454   4.019  -3.716
   34   HD13  ILE   4          HD13      ILE   4 -12.204   5.247  -2.696
   35    H    VAL   5           H        VAL   5 -13.849   6.016  -1.856
   36    HA   VAL   5           HA       VAL   5 -14.251   3.327  -0.842
   37    HB   VAL   5           HB       VAL   5 -12.170   4.234  -0.180
   38   HG11  VAL   5          HG11      VAL   5 -11.965   6.390   1.032
   39   HG12  VAL   5          HG12      VAL   5 -13.664   6.695   0.659
   40   HG13  VAL   5          HG13      VAL   5 -12.485   6.553  -0.647
   41   HG21  VAL   5          HG21      VAL   5 -14.136   4.482   2.046
   42   HG22  VAL   5          HG22      VAL   5 -12.387   4.442   2.272
   43   HG23  VAL   5          HG23      VAL   5 -13.223   3.047   1.583
   44    H    ASP   6           H        ASP   6 -15.438   6.583  -0.417
   45    HA   ASP   6           HA       ASP   6 -16.917   6.291   1.922
   46    HB2  ASP   6           HB2      ASP   6 -16.401   8.424   0.622
   47    HB3  ASP   6           HB3      ASP   6 -17.758   8.006  -0.411
   48    H    ILE   7           H        ILE   7 -17.815   5.865  -1.448
   49    HA   ILE   7           HA       ILE   7 -20.486   5.200  -1.078
   50    HB   ILE   7           HB       ILE   7 -18.759   3.992  -3.229
   51   HG12  ILE   7          HG12      ILE   7 -20.242   6.579  -3.528
   52   HG13  ILE   7          HG13      ILE   7 -18.647   6.586  -2.782
   53   HG21  ILE   7          HG21      ILE   7 -21.681   4.776  -3.136
   54   HG22  ILE   7          HG22      ILE   7 -21.061   3.130  -3.039
   55   HG23  ILE   7          HG23      ILE   7 -20.847   4.065  -4.520
   56   HD11  ILE   7          HD11      ILE   7 -17.665   5.638  -4.752
   57   HD12  ILE   7          HD12      ILE   7 -18.593   7.075  -5.189
   58   HD13  ILE   7          HD13      ILE   7 -19.250   5.469  -5.506
   59    H    ALA   8           H        ALA   8 -17.666   3.315  -0.351
   60    HA   ALA   8           HA       ALA   8 -18.790   0.739  -0.555
   61    HB1  ALA   8           HB1      ALA   8 -16.998   0.012   0.941
   62    HB2  ALA   8           HB2      ALA   8 -16.623   1.697   1.311
   63    HB3  ALA   8           HB3      ALA   8 -16.392   1.080  -0.324
   64    H    VAL   9           H        VAL   9 -18.890   3.169   2.008
   65    HA   VAL   9           HA       VAL   9 -20.449   1.402   3.713
   66    HB   VAL   9           HB       VAL   9 -18.767   3.165   4.543
   67   HG11  VAL   9          HG11      VAL   9 -21.120   4.976   4.043
   68   HG12  VAL   9          HG12      VAL   9 -19.550   5.053   3.245
   69   HG13  VAL   9          HG13      VAL   9 -19.680   5.393   4.970
   70   HG21  VAL   9          HG21      VAL   9 -20.087   3.600   6.574
   71   HG22  VAL   9          HG22      VAL   9 -20.193   1.921   6.047
   72   HG23  VAL   9          HG23      VAL   9 -21.530   3.028   5.739
   73    H    ASN  10           H        ASN  10 -21.006   3.358   1.093
   74    HA   ASN  10           HA       ASN  10 -23.689   4.230   1.844
   75    HB2  ASN  10           HB2      ASN  10 -22.150   5.740   0.582
   76    HB3  ASN  10           HB3      ASN  10 -22.153   4.585  -0.734
   77   HD21  ASN  10          HD21      ASN  10 -22.884   6.170  -2.107
   78   HD22  ASN  10          HD22      ASN  10 -24.525   6.680  -2.108
   79    H    THR  11           H        THR  11 -22.093   1.732   0.104
   80    HA   THR  11           HA       THR  11 -24.013   1.181  -1.853
   81    HB   THR  11           HB       THR  11 -22.896  -1.131  -1.852
   82    HG1  THR  11           HG1      THR  11 -20.750   0.068  -0.555
   83   HG21  THR  11          HG21      THR  11 -22.444   0.658  -3.465
   84   HG22  THR  11          HG22      THR  11 -20.986  -0.255  -3.072
   85   HG23  THR  11          HG23      THR  11 -21.247   1.338  -2.363
   86    HA   PRO  12           HA       PRO  12 -27.022  -0.967   0.624
   87    HB2  PRO  12           HB2      PRO  12 -28.337  -1.706  -1.852
   88    HB3  PRO  12           HB3      PRO  12 -28.861  -0.550  -0.634
   89    HG2  PRO  12           HG2      PRO  12 -28.065   0.180  -3.123
   90    HG3  PRO  12           HG3      PRO  12 -27.887   1.221  -1.701
   91    HD2  PRO  12           HD2      PRO  12 -25.857  -0.511  -3.049
   92    HD3  PRO  12           HD3      PRO  12 -25.696   1.140  -2.421
   93    H    GLY  13           H        GLY  13 -24.950  -2.486   0.692
   94    HA2  GLY  13           HA2      GLY  13 -24.487  -4.738   0.993
   95    HA3  GLY  13           HA3      GLY  13 -26.043  -5.113   0.266
   96    H    PHE  14           H        PHE  14 -23.288  -3.307  -1.025
   97    HA   PHE  14           HA       PHE  14 -23.376  -4.594  -3.544
   98    HB2  PHE  14           HB2      PHE  14 -21.764  -2.565  -2.264
   99    HB3  PHE  14           HB3      PHE  14 -20.769  -3.627  -3.258
  100    HD1  PHE  14           HD1      PHE  14 -24.198  -2.169  -3.596
  101    HD2  PHE  14           HD2      PHE  14 -20.335  -2.694  -5.300
  102    HE1  PHE  14           HE1      PHE  14 -24.917  -0.928  -5.594
  103    HE2  PHE  14           HE2      PHE  14 -21.046  -1.455  -7.304
  104    HZ   PHE  14           HZ       PHE  14 -23.341  -0.568  -7.448
  105    H    SER  15           H        SER  15 -20.974  -5.316  -4.330
  106    HA   SER  15           HA       SER  15 -20.596  -7.942  -3.437
  107    HB2  SER  15           HB2      SER  15 -18.599  -6.169  -4.862
  108    HB3  SER  15           HB3      SER  15 -18.637  -7.934  -4.868
  109    HG   SER  15           HG       SER  15 -21.017  -6.886  -5.653
  110    H    THR  16           H        THR  16 -18.558  -8.816  -2.517
  111    HA   THR  16           HA       THR  16 -18.044  -7.711   0.004
  112    HB   THR  16           HB       THR  16 -16.232  -9.671  -1.413
  113    HG1  THR  16           HG1      THR  16 -18.796 -10.029  -0.239
  114   HG21  THR  16          HG21      THR  16 -15.445  -8.849   0.765
  115   HG22  THR  16          HG22      THR  16 -15.875 -10.557   0.842
  116   HG23  THR  16          HG23      THR  16 -16.971  -9.342   1.501
  117    H    LEU  17           H        LEU  17 -16.657  -7.015  -3.046
  118    HA   LEU  17           HA       LEU  17 -14.145  -6.060  -2.444
  119    HB2  LEU  17           HB2      LEU  17 -16.190  -4.851  -4.305
  120    HB3  LEU  17           HB3      LEU  17 -14.484  -4.452  -4.302
  121    HG   LEU  17           HG       LEU  17 -15.649  -7.163  -4.940
  122   HD11  LEU  17          HD11      LEU  17 -14.379  -5.094  -6.726
  123   HD12  LEU  17          HD12      LEU  17 -16.093  -5.508  -6.675
  124   HD13  LEU  17          HD13      LEU  17 -14.913  -6.701  -7.216
  125   HD21  LEU  17          HD21      LEU  17 -13.351  -7.721  -5.625
  126   HD22  LEU  17          HD22      LEU  17 -13.470  -7.375  -3.900
  127   HD23  LEU  17          HD23      LEU  17 -12.802  -6.168  -4.999
  128    H    VAL  18           H        VAL  18 -17.288  -4.530  -1.807
  129    HA   VAL  18           HA       VAL  18 -16.021  -2.045  -0.957
  130    HB   VAL  18           HB       VAL  18 -18.174  -1.177  -0.577
  131   HG11  VAL  18          HG11      VAL  18 -18.372  -3.148  -2.838
  132   HG12  VAL  18          HG12      VAL  18 -17.747  -1.499  -2.916
  133   HG13  VAL  18          HG13      VAL  18 -19.458  -1.780  -2.596
  134   HG21  VAL  18          HG21      VAL  18 -19.050  -2.954   0.863
  135   HG22  VAL  18          HG22      VAL  18 -19.271  -3.990  -0.555
  136   HG23  VAL  18          HG23      VAL  18 -20.217  -2.510  -0.392
  137    H    THR  19           H        THR  19 -17.114  -4.996   0.426
  138    HA   THR  19           HA       THR  19 -17.175  -3.969   3.100
  139    HB   THR  19           HB       THR  19 -17.105  -6.891   2.469
  140    HG1  THR  19           HG1      THR  19 -19.406  -6.699   2.127
  141   HG21  THR  19          HG21      THR  19 -17.141  -6.266   4.805
  142   HG22  THR  19          HG22      THR  19 -18.723  -6.918   4.371
  143   HG23  THR  19          HG23      THR  19 -18.498  -5.174   4.531
  144    H    ALA  20           H        ALA  20 -14.868  -5.451   1.013
  145    HA   ALA  20           HA       ALA  20 -13.094  -6.474   2.925
  146    HB1  ALA  20           HB1      ALA  20 -13.090  -6.961   0.484
  147    HB2  ALA  20           HB2      ALA  20 -11.507  -6.623   1.183
  148    HB3  ALA  20           HB3      ALA  20 -12.337  -5.385   0.238
  149    H    VAL  21           H        VAL  21 -13.384  -3.210   1.580
  150    HA   VAL  21           HA       VAL  21 -11.181  -2.247   3.175
  151    HB   VAL  21           HB       VAL  21 -11.492  -0.899   1.296
  152   HG11  VAL  21          HG11      VAL  21 -13.709  -1.674   0.604
  153   HG12  VAL  21          HG12      VAL  21 -13.662   0.090   0.635
  154   HG13  VAL  21          HG13      VAL  21 -14.448  -0.793   1.942
  155   HG21  VAL  21          HG21      VAL  21 -12.265   1.285   2.187
  156   HG22  VAL  21          HG22      VAL  21 -11.130   0.446   3.253
  157   HG23  VAL  21          HG23      VAL  21 -12.862   0.438   3.620
  158    H    LYS  22           H        LYS  22 -14.681  -2.405   3.501
  159    HA   LYS  22           HA       LYS  22 -14.935  -0.780   5.766
  160    HB2  LYS  22           HB2      LYS  22 -16.594  -2.824   4.415
  161    HB3  LYS  22           HB3      LYS  22 -17.004  -2.493   6.079
  162    HG2  LYS  22           HG2      LYS  22 -17.232  -0.139   5.508
  163    HG3  LYS  22           HG3      LYS  22 -16.874  -0.494   3.838
  164    HD2  LYS  22           HD2      LYS  22 -19.206  -1.586   5.384
  165    HD3  LYS  22           HD3      LYS  22 -19.263  -0.215   4.281
  166    HE2  LYS  22           HE2      LYS  22 -18.428  -1.731   2.486
  167    HE3  LYS  22           HE3      LYS  22 -18.624  -3.061   3.609
  168    HZ1  LYS  22           HZ1      LYS  22 -20.542  -2.924   2.218
  169    HZ2  LYS  22           HZ2      LYS  22 -20.764  -1.290   2.591
  170    HZ3  LYS  22           HZ3      LYS  22 -20.991  -2.467   3.782
  171    H    VAL  23           H        VAL  23 -14.365  -4.226   5.394
  172    HA   VAL  23           HA       VAL  23 -14.537  -4.834   8.192
  173    HB   VAL  23           HB       VAL  23 -14.989  -6.556   6.511
  174   HG11  VAL  23          HG11      VAL  23 -13.201  -7.541   5.186
  175   HG12  VAL  23          HG12      VAL  23 -12.055  -6.365   5.834
  176   HG13  VAL  23          HG13      VAL  23 -13.389  -5.821   4.810
  177   HG21  VAL  23          HG21      VAL  23 -12.545  -7.176   8.150
  178   HG22  VAL  23          HG22      VAL  23 -13.703  -8.350   7.518
  179   HG23  VAL  23          HG23      VAL  23 -14.205  -7.183   8.744
  180    H    ALA  24           H        ALA  24 -12.007  -4.065   5.935
  181    HA   ALA  24           HA       ALA  24  -9.837  -4.619   7.698
  182    HB1  ALA  24           HB1      ALA  24  -9.858  -2.900   5.247
  183    HB2  ALA  24           HB2      ALA  24  -9.660  -4.652   5.248
  184    HB3  ALA  24           HB3      ALA  24  -8.455  -3.626   6.029
  185    H    ASN  25           H        ASN  25 -12.117  -2.269   7.671
  186    HA   ASN  25           HA       ASN  25 -12.510  -0.389   8.769
  187    HB2  ASN  25           HB2      ASN  25 -11.475  -0.016  10.753
  188    HB3  ASN  25           HB3      ASN  25 -10.966  -1.663  10.444
  189   HD21  ASN  25          HD21      ASN  25  -9.842   1.695  10.012
  190   HD22  ASN  25          HD22      ASN  25  -8.172   1.327  10.258
  191    H    LEU  26           H        LEU  26 -10.610  -0.527   6.253
  192    HA   LEU  26           HA       LEU  26  -9.325   2.052   6.494
  193    HB2  LEU  26           HB2      LEU  26  -9.278  -0.090   4.454
  194    HB3  LEU  26           HB3      LEU  26  -8.864   1.544   3.960
  195    HG   LEU  26           HG       LEU  26  -7.177   1.554   5.856
  196   HD11  LEU  26          HD11      LEU  26  -8.068  -1.279   5.919
  197   HD12  LEU  26          HD12      LEU  26  -7.648  -0.196   7.250
  198   HD13  LEU  26          HD13      LEU  26  -6.377  -0.898   6.237
  199   HD21  LEU  26          HD21      LEU  26  -6.490   1.408   3.561
  200   HD22  LEU  26          HD22      LEU  26  -6.858  -0.321   3.528
  201   HD23  LEU  26          HD23      LEU  26  -5.531   0.283   4.527
  202    H    VAL  27           H        VAL  27 -12.387   1.399   6.113
  203    HA   VAL  27           HA       VAL  27 -13.236   2.772   3.849
  204    HB   VAL  27           HB       VAL  27 -14.437   1.773   6.245
  205   HG11  VAL  27          HG11      VAL  27 -15.522   4.449   5.385
  206   HG12  VAL  27          HG12      VAL  27 -14.764   4.080   6.937
  207   HG13  VAL  27          HG13      VAL  27 -16.305   3.333   6.505
  208   HG21  VAL  27          HG21      VAL  27 -15.513   2.557   3.543
  209   HG22  VAL  27          HG22      VAL  27 -16.443   1.686   4.763
  210   HG23  VAL  27          HG23      VAL  27 -14.996   0.947   4.070
  211    H    GLU  28           H        GLU  28 -12.300   3.966   7.004
  212    HA   GLU  28           HA       GLU  28 -12.783   6.723   6.260
  213    HB2  GLU  28           HB2      GLU  28 -11.600   7.092   8.529
  214    HB3  GLU  28           HB3      GLU  28 -13.196   6.355   8.503
  215    HG2  GLU  28           HG2      GLU  28 -12.281   4.180   8.828
  216    HG3  GLU  28           HG3      GLU  28 -10.637   4.782   8.617
  217    H    ALA  29           H        ALA  29 -10.173   4.504   6.080
  218    HA   ALA  29           HA       ALA  29  -8.070   6.404   6.215
  219    HB1  ALA  29           HB1      ALA  29  -7.792   4.038   6.854
  220    HB2  ALA  29           HB2      ALA  29  -6.605   4.573   5.667
  221    HB3  ALA  29           HB3      ALA  29  -7.977   3.590   5.159
  222    H    LEU  30           H        LEU  30  -9.365   4.431   3.550
  223    HA   LEU  30           HA       LEU  30  -7.840   5.460   1.478
  224    HB2  LEU  30           HB2      LEU  30 -10.694   4.617   1.162
  225    HB3  LEU  30           HB3      LEU  30  -9.426   4.561  -0.039
  226    HG   LEU  30           HG       LEU  30  -9.726   2.813   2.384
  227   HD11  LEU  30          HD11      LEU  30 -11.127   2.278   0.456
  228   HD12  LEU  30          HD12      LEU  30  -9.907   1.037   0.742
  229   HD13  LEU  30          HD13      LEU  30  -9.687   2.204  -0.562
  230   HD21  LEU  30          HD21      LEU  30  -7.713   1.649   1.615
  231   HD22  LEU  30          HD22      LEU  30  -7.374   3.304   2.126
  232   HD23  LEU  30          HD23      LEU  30  -7.453   2.911   0.407
  233    H    GLN  31           H        GLN  31 -10.219   7.042   3.235
  234    HA   GLN  31           HA       GLN  31 -11.493   8.641   1.296
  235    HB2  GLN  31           HB2      GLN  31 -11.045   9.213   4.220
  236    HB3  GLN  31           HB3      GLN  31 -12.231   9.990   3.180
  237    HG2  GLN  31           HG2      GLN  31 -12.235   7.040   3.497
  238    HG3  GLN  31           HG3      GLN  31 -12.925   8.065   4.744
  239   HE21  GLN  31          HE21      GLN  31 -13.993   6.119   2.756
  240   HE22  GLN  31          HE22      GLN  31 -15.346   6.961   2.094
  241    H    SER  32           H        SER  32  -8.333   8.765   2.488
  242    HA   SER  32           HA       SER  32  -7.758  11.481   2.643
  243    HB2  SER  32           HB2      SER  32  -5.408  10.700   2.040
  244    HB3  SER  32           HB3      SER  32  -6.161   9.913   3.430
  245    HG   SER  32           HG       SER  32  -6.253   8.866   0.796
  246    HA   PRO  33           HA       PRO  33  -8.342  12.431  -1.712
  247    HB2  PRO  33           HB2      PRO  33  -8.364  15.108  -1.410
  248    HB3  PRO  33           HB3      PRO  33  -9.755  14.094  -1.018
  249    HG2  PRO  33           HG2      PRO  33  -7.793  15.416   0.772
  250    HG3  PRO  33           HG3      PRO  33  -9.505  15.059   1.047
  251    HD2  PRO  33           HD2      PRO  33  -7.343  13.603   2.048
  252    HD3  PRO  33           HD3      PRO  33  -9.025  13.050   1.976
  253    H    GLY  34           H        GLY  34  -5.710  13.221   0.297
  254    HA2  GLY  34           HA2      GLY  34  -4.294  14.962  -1.448
  255    HA3  GLY  34           HA3      GLY  34  -3.647  14.174  -0.023
  256    HA   PRO  35           HA       PRO  35  -1.375  12.448  -3.580
  257    HB2  PRO  35           HB2      PRO  35   0.954  12.101  -2.225
  258    HB3  PRO  35           HB3      PRO  35   0.488  13.620  -2.992
  259    HG2  PRO  35           HG2      PRO  35   0.438  12.832  -0.136
  260    HG3  PRO  35           HG3      PRO  35   0.737  14.418  -0.860
  261    HD2  PRO  35           HD2      PRO  35  -1.630  13.626   0.310
  262    HD3  PRO  35           HD3      PRO  35  -1.467  14.951  -0.854
  263    H    PHE  36           H        PHE  36  -0.003  10.394  -3.767
  264    HA   PHE  36           HA       PHE  36  -0.951   8.340  -1.918
  265    HB2  PHE  36           HB2      PHE  36  -1.580   8.485  -4.864
  266    HB3  PHE  36           HB3      PHE  36  -1.574   6.962  -3.984
  267    HD1  PHE  36           HD1      PHE  36  -2.957   7.034  -1.708
  268    HD2  PHE  36           HD2      PHE  36  -3.604   9.564  -5.067
  269    HE1  PHE  36           HE1      PHE  36  -5.271   7.420  -0.968
  270    HE2  PHE  36           HE2      PHE  36  -5.917   9.954  -4.332
  271    HZ   PHE  36           HZ       PHE  36  -6.753   8.883  -2.280
  272    H    THR  37           H        THR  37   0.633   7.019  -1.396
  273    HA   THR  37           HA       THR  37   2.882   6.658  -3.246
  274    HB   THR  37           HB       THR  37   2.670   6.342  -0.245
  275    HG1  THR  37           HG1      THR  37   3.359   8.325  -0.443
  276   HG21  THR  37          HG21      THR  37   4.015   4.486  -1.097
  277   HG22  THR  37          HG22      THR  37   5.040   5.669  -0.282
  278   HG23  THR  37          HG23      THR  37   4.992   5.609  -2.044
  279    H    VAL  38           H        VAL  38   3.103   4.788  -4.249
  280    HA   VAL  38           HA       VAL  38   1.535   2.480  -3.289
  281    HB   VAL  38           HB       VAL  38   2.429   3.044  -6.121
  282   HG11  VAL  38          HG11      VAL  38   2.158   0.677  -5.667
  283   HG12  VAL  38          HG12      VAL  38   0.876   1.256  -6.731
  284   HG13  VAL  38          HG13      VAL  38   0.542   0.971  -5.024
  285   HG21  VAL  38          HG21      VAL  38  -0.314   3.366  -4.920
  286   HG22  VAL  38          HG22      VAL  38   0.121   3.612  -6.611
  287   HG23  VAL  38          HG23      VAL  38   0.768   4.684  -5.369
  288    H    PHE  39           H        PHE  39   2.613   0.645  -2.807
  289    HA   PHE  39           HA       PHE  39   5.426   0.415  -3.609
  290    HB2  PHE  39           HB2      PHE  39   3.881  -1.332  -1.670
  291    HB3  PHE  39           HB3      PHE  39   5.611  -1.383  -1.970
  292    HD1  PHE  39           HD1      PHE  39   7.013   0.605  -1.341
  293    HD2  PHE  39           HD2      PHE  39   2.978   0.136  -0.070
  294    HE1  PHE  39           HE1      PHE  39   7.393   2.239   0.459
  295    HE2  PHE  39           HE2      PHE  39   3.353   1.768   1.732
  296    HZ   PHE  39           HZ       PHE  39   5.563   2.820   1.999
  297    H    ALA  40           H        ALA  40   5.852  -0.722  -5.374
  298    HA   ALA  40           HA       ALA  40   3.705  -2.428  -6.442
  299    HB1  ALA  40           HB1      ALA  40   4.402  -0.429  -7.757
  300    HB2  ALA  40           HB2      ALA  40   4.558  -1.956  -8.625
  301    HB3  ALA  40           HB3      ALA  40   5.989  -1.175  -7.952
  302    HA   PRO  41           HA       PRO  41   6.567  -5.795  -5.635
  303    HB2  PRO  41           HB2      PRO  41   4.925  -7.782  -6.505
  304    HB3  PRO  41           HB3      PRO  41   4.800  -7.055  -4.895
  305    HG2  PRO  41           HG2      PRO  41   3.168  -6.538  -7.347
  306    HG3  PRO  41           HG3      PRO  41   2.651  -6.632  -5.655
  307    HD2  PRO  41           HD2      PRO  41   3.016  -4.279  -6.981
  308    HD3  PRO  41           HD3      PRO  41   3.231  -4.451  -5.228
  309    H    ASN  42           H        ASN  42   8.158  -6.295  -6.924
  310    HA   ASN  42           HA       ASN  42   8.029  -5.961  -9.760
  311    HB2  ASN  42           HB2      ASN  42  10.297  -5.815  -9.553
  312    HB3  ASN  42           HB3      ASN  42   9.979  -5.803  -7.836
  313   HD21  ASN  42          HD21      ASN  42  10.038  -7.812  -6.735
  314   HD22  ASN  42          HD22      ASN  42  11.206  -8.986  -7.233
  315    H    ASP  43           H        ASP  43   9.218  -7.874 -11.088
  316    HA   ASP  43           HA       ASP  43   7.303  -9.913 -11.237
  317    HB2  ASP  43           HB2      ASP  43  10.073  -9.705 -12.410
  318    HB3  ASP  43           HB3      ASP  43   8.995 -11.057 -12.749
  319    H    ASP  44           H        ASP  44  10.358  -9.819  -9.493
  320    HA   ASP  44           HA       ASP  44  10.407 -12.674  -9.077
  321    HB2  ASP  44           HB2      ASP  44  12.473 -11.190  -9.235
  322    HB3  ASP  44           HB3      ASP  44  12.061 -10.630  -7.624
  323    H    ALA  45           H        ALA  45   9.035  -9.928  -7.688
  324    HA   ALA  45           HA       ALA  45   8.671 -10.917  -5.022
  325    HB1  ALA  45           HB1      ALA  45   7.243  -8.713  -6.493
  326    HB2  ALA  45           HB2      ALA  45   8.727  -8.523  -5.563
  327    HB3  ALA  45           HB3      ALA  45   7.231  -8.984  -4.749
  328    H    PHE  46           H        PHE  46   6.740 -10.630  -7.947
  329    HA   PHE  46           HA       PHE  46   4.417 -11.951  -7.112
  330    HB2  PHE  46           HB2      PHE  46   4.818 -10.684  -9.264
  331    HB3  PHE  46           HB3      PHE  46   5.703 -12.083  -9.843
  332    HD1  PHE  46           HD1      PHE  46   2.372 -10.992  -8.634
  333    HD2  PHE  46           HD2      PHE  46   4.590 -13.871 -10.850
  334    HE1  PHE  46           HE1      PHE  46   0.272 -11.986  -9.438
  335    HE2  PHE  46           HE2      PHE  46   2.490 -14.866 -11.660
  336    HZ   PHE  46           HZ       PHE  46   0.328 -13.926 -10.953
  337    H    ALA  47           H        ALA  47   7.566 -13.027  -7.832
  338    HA   ALA  47           HA       ALA  47   6.877 -15.817  -8.187
  339    HB1  ALA  47           HB1      ALA  47   9.555 -14.441  -8.057
  340    HB2  ALA  47           HB2      ALA  47   8.670 -14.882  -9.518
  341    HB3  ALA  47           HB3      ALA  47   9.291 -16.141  -8.452
  342    H    LYS  48           H        LYS  48   7.846 -13.655  -5.690
  343    HA   LYS  48           HA       LYS  48   8.775 -15.450  -3.727
  344    HB2  LYS  48           HB2      LYS  48   7.135 -12.964  -3.325
  345    HB3  LYS  48           HB3      LYS  48   8.066 -13.827  -2.116
  346    HG2  LYS  48           HG2      LYS  48   9.338 -12.711  -4.544
  347    HG3  LYS  48           HG3      LYS  48   9.076 -11.754  -3.085
  348    HD2  LYS  48           HD2      LYS  48  10.408 -14.417  -2.969
  349    HD3  LYS  48           HD3      LYS  48  11.328 -12.952  -3.345
  350    HE2  LYS  48           HE2      LYS  48  10.516 -11.968  -1.224
  351    HE3  LYS  48           HE3      LYS  48   9.710 -13.492  -0.856
  352    HZ1  LYS  48           HZ1      LYS  48  12.633 -13.148  -1.253
  353    HZ2  LYS  48           HZ2      LYS  48  11.851 -14.590  -0.852
  354    HZ3  LYS  48           HZ3      LYS  48  11.860 -13.303   0.244
  355    H    LEU  49           H        LEU  49   5.629 -14.391  -4.731
  356    HA   LEU  49           HA       LEU  49   4.080 -14.587  -2.616
  357    HB2  LEU  49           HB2      LEU  49   3.314 -15.712  -5.264
  358    HB3  LEU  49           HB3      LEU  49   2.246 -15.335  -3.920
  359    HG   LEU  49           HG       LEU  49   3.989 -13.272  -5.247
  360   HD11  LEU  49          HD11      LEU  49   1.952 -12.480  -6.314
  361   HD12  LEU  49          HD12      LEU  49   1.075 -13.875  -5.681
  362   HD13  LEU  49          HD13      LEU  49   2.370 -14.106  -6.855
  363   HD21  LEU  49          HD21      LEU  49   2.361 -11.771  -4.100
  364   HD22  LEU  49          HD22      LEU  49   3.404 -12.695  -3.022
  365   HD23  LEU  49          HD23      LEU  49   1.730 -13.190  -3.267
  366    HA   PRO  50           HA       PRO  50   4.564 -18.832  -1.250
  367    HB2  PRO  50           HB2      PRO  50   4.728 -18.157   1.332
  368    HB3  PRO  50           HB3      PRO  50   6.086 -17.886   0.234
  369    HG2  PRO  50           HG2      PRO  50   4.117 -15.933   1.329
  370    HG3  PRO  50           HG3      PRO  50   5.837 -15.713   0.971
  371    HD2  PRO  50           HD2      PRO  50   3.677 -14.946  -0.693
  372    HD3  PRO  50           HD3      PRO  50   5.395 -15.042  -1.168
  373    H    ASP  51           H        ASP  51   2.327 -19.126  -2.020
  374    HA   ASP  51           HA       ASP  51   0.136 -19.676  -1.724
  375    HB2  ASP  51           HB2      ASP  51   0.732 -19.437   1.237
  376    HB3  ASP  51           HB3      ASP  51  -0.698 -20.183   0.536
  377    H    GLY  52           H        GLY  52   1.234 -16.820  -1.591
  378    HA2  GLY  52           HA2      GLY  52   0.040 -14.814  -1.813
  379    HA3  GLY  52           HA3      GLY  52  -1.311 -15.549  -0.962
  380    H    THR  53           H        THR  53   1.593 -13.726  -0.672
  381    HA   THR  53           HA       THR  53   2.022 -13.721   2.091
  382    HB   THR  53           HB       THR  53   2.277 -11.476   0.101
  383    HG1  THR  53           HG1      THR  53   4.584 -12.138   0.304
  384   HG21  THR  53          HG21      THR  53   3.332 -11.729   2.911
  385   HG22  THR  53          HG22      THR  53   2.271 -10.474   2.255
  386   HG23  THR  53          HG23      THR  53   3.958 -10.566   1.742
  387    H    ILE  54           H        ILE  54   0.045 -11.647   0.044
  388    HA   ILE  54           HA       ILE  54  -0.950  -9.971   2.020
  389    HB   ILE  54           HB       ILE  54  -1.654 -10.580  -0.779
  390   HG12  ILE  54          HG12      ILE  54  -1.573  -8.081  -0.871
  391   HG13  ILE  54          HG13      ILE  54  -1.272  -8.084   0.867
  392   HG21  ILE  54          HG21      ILE  54  -3.612  -9.122   0.985
  393   HG22  ILE  54          HG22      ILE  54  -3.862 -10.720   0.281
  394   HG23  ILE  54          HG23      ILE  54  -3.714  -9.306  -0.767
  395   HD11  ILE  54          HD11      ILE  54   0.519  -9.275  -1.246
  396   HD12  ILE  54          HD12      ILE  54   0.812  -9.318   0.494
  397   HD13  ILE  54          HD13      ILE  54   0.789  -7.774  -0.359
  398    H    THR  55           H        THR  55  -1.800 -13.170   1.148
  399    HA   THR  55           HA       THR  55  -4.360 -13.342   2.245
  400    HB   THR  55           HB       THR  55  -2.215 -15.425   2.080
  401    HG1  THR  55           HG1      THR  55  -4.185 -14.444   0.368
  402   HG21  THR  55          HG21      THR  55  -5.169 -15.868   2.508
  403   HG22  THR  55          HG22      THR  55  -3.992 -15.872   3.820
  404   HG23  THR  55          HG23      THR  55  -3.888 -17.083   2.533
  405    H    SER  56           H        SER  56  -1.219 -13.361   3.839
  406    HA   SER  56           HA       SER  56  -2.381 -14.043   6.389
  407    HB2  SER  56           HB2      SER  56  -0.103 -14.797   5.867
  408    HB3  SER  56           HB3      SER  56   0.408 -13.123   5.663
  409    HG   SER  56           HG       SER  56   0.921 -13.391   7.707
  410    H    LEU  57           H        LEU  57  -1.663 -11.364   4.497
  411    HA   LEU  57           HA       LEU  57  -1.639  -9.371   6.533
  412    HB2  LEU  57           HB2      LEU  57  -1.549  -9.376   3.604
  413    HB3  LEU  57           HB3      LEU  57  -1.944  -7.886   4.414
  414    HG   LEU  57           HG       LEU  57   0.176  -7.907   5.578
  415   HD11  LEU  57          HD11      LEU  57   0.723 -10.506   4.159
  416   HD12  LEU  57          HD12      LEU  57   0.475 -10.293   5.892
  417   HD13  LEU  57          HD13      LEU  57   1.892  -9.590   5.110
  418   HD21  LEU  57          HD21      LEU  57   1.651  -7.521   3.733
  419   HD22  LEU  57          HD22      LEU  57   0.034  -6.979   3.280
  420   HD23  LEU  57          HD23      LEU  57   0.654  -8.514   2.670
  421    H    VAL  58           H        VAL  58  -4.004 -11.017   4.743
  422    HA   VAL  58           HA       VAL  58  -6.068  -9.012   5.166
  423    HB   VAL  58           HB       VAL  58  -5.933 -10.340   3.028
  424   HG11  VAL  58          HG11      VAL  58  -5.375 -12.508   4.173
  425   HG12  VAL  58          HG12      VAL  58  -6.659 -12.610   2.967
  426   HG13  VAL  58          HG13      VAL  58  -7.062 -12.591   4.683
  427   HG21  VAL  58          HG21      VAL  58  -8.311 -10.582   2.799
  428   HG22  VAL  58          HG22      VAL  58  -7.978  -9.179   3.818
  429   HG23  VAL  58          HG23      VAL  58  -8.509 -10.692   4.549
  430    H    GLN  59           H        GLN  59  -4.832 -11.864   6.667
  431    HA   GLN  59           HA       GLN  59  -7.214 -12.898   7.686
  432    HB2  GLN  59           HB2      GLN  59  -4.428 -13.178   8.759
  433    HB3  GLN  59           HB3      GLN  59  -5.793 -14.203   9.173
  434    HG2  GLN  59           HG2      GLN  59  -5.256 -13.917   6.321
  435    HG3  GLN  59           HG3      GLN  59  -4.042 -14.761   7.242
  436   HE21  GLN  59          HE21      GLN  59  -5.836 -15.734   5.192
  437   HE22  GLN  59          HE22      GLN  59  -6.744 -17.021   5.906
  438    H    ASN  60           H        ASN  60  -4.882 -10.723   9.132
  439    HA   ASN  60           HA       ASN  60  -7.007  -9.613  10.668
  440    HB2  ASN  60           HB2      ASN  60  -6.391 -11.733  11.818
  441    HB3  ASN  60           HB3      ASN  60  -4.836 -11.012  12.188
  442   HD21  ASN  60          HD21      ASN  60  -5.231 -11.274  14.370
  443   HD22  ASN  60          HD22      ASN  60  -6.313 -10.247  15.247
  444    HA   PRO  61           HA       PRO  61  -3.859  -6.348  10.778
  445    HB2  PRO  61           HB2      PRO  61  -2.644  -6.390   8.151
  446    HB3  PRO  61           HB3      PRO  61  -1.854  -6.326   9.728
  447    HG2  PRO  61           HG2      PRO  61  -1.688  -8.481   8.093
  448    HG3  PRO  61           HG3      PRO  61  -1.647  -8.616   9.858
  449    HD2  PRO  61           HD2      PRO  61  -3.985  -9.006   7.997
  450    HD3  PRO  61           HD3      PRO  61  -3.434 -10.041   9.338
  451    HA   PRO  62           HA       PRO  62  -7.004  -4.224   8.444
  452    HB2  PRO  62           HB2      PRO  62  -5.318  -1.836   8.648
  453    HB3  PRO  62           HB3      PRO  62  -6.959  -2.119   9.254
  454    HG2  PRO  62           HG2      PRO  62  -4.879  -2.004  10.903
  455    HG3  PRO  62           HG3      PRO  62  -6.206  -3.128  11.193
  456    HD2  PRO  62           HD2      PRO  62  -3.486  -3.656  10.036
  457    HD3  PRO  62           HD3      PRO  62  -4.421  -4.611  11.210
  458    H    GLN  63           H        GLN  63  -3.763  -4.458   7.470
  459    HA   GLN  63           HA       GLN  63  -3.366  -2.675   5.452
  460    HB2  GLN  63           HB2      GLN  63  -1.837  -4.524   6.440
  461    HB3  GLN  63           HB3      GLN  63  -2.377  -5.423   5.014
  462    HG2  GLN  63           HG2      GLN  63  -1.894  -3.205   3.801
  463    HG3  GLN  63           HG3      GLN  63  -0.831  -2.894   5.178
  464   HE21  GLN  63          HE21      GLN  63  -1.439  -4.646   2.364
  465   HE22  GLN  63          HE22      GLN  63   0.070  -5.429   2.258
  466    H    LEU  64           H        LEU  64  -5.283  -5.541   5.235
  467    HA   LEU  64           HA       LEU  64  -5.553  -6.031   2.585
  468    HB2  LEU  64           HB2      LEU  64  -6.757  -7.410   3.985
  469    HB3  LEU  64           HB3      LEU  64  -7.495  -6.076   4.848
  470    HG   LEU  64           HG       LEU  64  -8.670  -5.566   2.635
  471   HD11  LEU  64          HD11      LEU  64  -7.426  -6.971   1.162
  472   HD12  LEU  64          HD12      LEU  64  -9.084  -7.569   1.232
  473   HD13  LEU  64          HD13      LEU  64  -7.808  -8.400   2.118
  474   HD21  LEU  64          HD21      LEU  64 -10.529  -6.917   3.200
  475   HD22  LEU  64          HD22      LEU  64  -9.725  -6.466   4.715
  476   HD23  LEU  64          HD23      LEU  64  -9.509  -8.086   4.041
  477    H    GLY  65           H        GLY  65  -7.272  -3.562   4.410
  478    HA2  GLY  65           HA2      GLY  65  -9.192  -2.759   2.657
  479    HA3  GLY  65           HA3      GLY  65  -8.396  -1.665   3.754
  480    H    ARG  66           H        ARG  66  -5.865  -1.644   2.639
  481    HA   ARG  66           HA       ARG  66  -6.397   0.236   0.538
  482    HB2  ARG  66           HB2      ARG  66  -4.589   1.241   1.297
  483    HB3  ARG  66           HB3      ARG  66  -4.564   0.037   2.567
  484    HG2  ARG  66           HG2      ARG  66  -3.300  -0.755   0.050
  485    HG3  ARG  66           HG3      ARG  66  -2.520   0.531   0.944
  486    HD2  ARG  66           HD2      ARG  66  -2.840  -1.056   2.979
  487    HD3  ARG  66           HD3      ARG  66  -3.011  -2.293   1.731
  488    HE   ARG  66           HE       ARG  66  -0.783  -1.739   0.962
  489   HH11  ARG  66          HH11      ARG  66  -1.711  -0.550   4.115
  490   HH12  ARG  66          HH12      ARG  66  -0.069  -0.271   4.633
  491   HH21  ARG  66          HH21      ARG  66   1.388  -1.378   1.644
  492   HH22  ARG  66          HH22      ARG  66   1.684  -0.745   3.229
  493    H    ILE  67           H        ILE  67  -4.919  -2.898   0.879
  494    HA   ILE  67           HA       ILE  67  -3.713  -3.276  -1.557
  495    HB   ILE  67           HB       ILE  67  -5.374  -5.299  -0.066
  496   HG12  ILE  67          HG12      ILE  67  -2.460  -4.552   0.243
  497   HG13  ILE  67          HG13      ILE  67  -3.742  -4.134   1.369
  498   HG21  ILE  67          HG21      ILE  67  -3.071  -5.644  -1.982
  499   HG22  ILE  67          HG22      ILE  67  -4.763  -6.037  -2.294
  500   HG23  ILE  67          HG23      ILE  67  -3.858  -6.938  -1.076
  501   HD11  ILE  67          HD11      ILE  67  -2.680  -6.862   0.749
  502   HD12  ILE  67          HD12      ILE  67  -4.136  -6.572   1.690
  503   HD13  ILE  67          HD13      ILE  67  -2.581  -5.973   2.269
  504    H    LEU  68           H        LEU  68  -7.135  -3.754  -0.762
  505    HA   LEU  68           HA       LEU  68  -8.065  -5.006  -2.988
  506    HB2  LEU  68           HB2      LEU  68  -9.356  -2.903  -1.298
  507    HB3  LEU  68           HB3      LEU  68 -10.208  -3.603  -2.652
  508    HG   LEU  68           HG       LEU  68 -10.994  -5.028  -1.128
  509   HD11  LEU  68          HD11      LEU  68  -8.216  -6.152  -1.290
  510   HD12  LEU  68          HD12      LEU  68  -9.528  -6.453  -2.429
  511   HD13  LEU  68          HD13      LEU  68  -9.656  -7.022  -0.764
  512   HD21  LEU  68          HD21      LEU  68 -10.113  -5.353   1.092
  513   HD22  LEU  68          HD22      LEU  68 -10.092  -3.630   0.692
  514   HD23  LEU  68          HD23      LEU  68  -8.598  -4.563   0.630
  515    H    LYS  69           H        LYS  69  -7.873  -1.446  -2.673
  516    HA   LYS  69           HA       LYS  69  -8.839  -1.223  -5.397
  517    HB2  LYS  69           HB2      LYS  69  -8.200   0.861  -3.311
  518    HB3  LYS  69           HB3      LYS  69  -8.806   1.234  -4.917
  519    HG2  LYS  69           HG2      LYS  69 -10.245  -0.427  -2.857
  520    HG3  LYS  69           HG3      LYS  69 -10.572   1.269  -3.219
  521    HD2  LYS  69           HD2      LYS  69 -11.035   0.573  -5.585
  522    HD3  LYS  69           HD3      LYS  69 -10.926  -1.103  -5.047
  523    HE2  LYS  69           HE2      LYS  69 -12.860   0.957  -3.994
  524    HE3  LYS  69           HE3      LYS  69 -13.246  -0.298  -5.166
  525    HZ1  LYS  69           HZ1      LYS  69 -13.938  -0.937  -2.959
  526    HZ2  LYS  69           HZ2      LYS  69 -12.367  -0.744  -2.366
  527    HZ3  LYS  69           HZ3      LYS  69 -12.702  -1.960  -3.488
  528    H    TYR  70           H        TYR  70  -6.057   0.282  -3.671
  529    HA   TYR  70           HA       TYR  70  -4.662   0.191  -6.264
  530    HB2  TYR  70           HB2      TYR  70  -4.579   2.461  -4.281
  531    HB3  TYR  70           HB3      TYR  70  -3.680   2.384  -5.792
  532    HD1  TYR  70           HD1      TYR  70  -5.043   2.247  -7.965
  533    HD2  TYR  70           HD2      TYR  70  -6.732   3.363  -4.222
  534    HE1  TYR  70           HE1      TYR  70  -6.936   3.293  -9.136
  535    HE2  TYR  70           HE2      TYR  70  -8.629   4.407  -5.383
  536    HH   TYR  70           HH       TYR  70  -9.361   3.854  -8.586
  537    H    HIS  71           H        HIS  71  -4.532  -1.074  -3.286
  538    HA   HIS  71           HA       HIS  71  -3.032  -1.439  -1.630
  539    HB2  HIS  71           HB2      HIS  71  -0.912  -2.556  -2.352
  540    HB3  HIS  71           HB3      HIS  71  -2.373  -3.262  -3.013
  541    HD1  HIS  71           HD1      HIS  71  -2.550  -3.425  -5.512
  542    HD2  HIS  71           HD2      HIS  71   0.721  -1.181  -4.275
  543    HE1  HIS  71           HE1      HIS  71  -1.162  -3.063  -7.576
  544    HE2  HIS  71           HE2      HIS  71   0.733  -1.584  -6.833
  545    H    VAL  72           H        VAL  72  -3.238   1.008  -1.505
  546    HA   VAL  72           HA       VAL  72  -0.656   2.335  -2.030
  547    HB   VAL  72           HB       VAL  72  -2.460   2.892  -3.667
  548   HG11  VAL  72          HG11      VAL  72  -4.326   4.298  -2.950
  549   HG12  VAL  72          HG12      VAL  72  -3.807   4.135  -1.271
  550   HG13  VAL  72          HG13      VAL  72  -4.373   2.721  -2.161
  551   HG21  VAL  72          HG21      VAL  72  -1.621   5.209  -1.932
  552   HG22  VAL  72          HG22      VAL  72  -2.149   5.282  -3.614
  553   HG23  VAL  72          HG23      VAL  72  -0.641   4.470  -3.200
  554    H    VAL  73           H        VAL  73  -0.081   4.045  -0.663
  555    HA   VAL  73           HA       VAL  73  -1.779   4.506   1.697
  556    HB   VAL  73           HB       VAL  73   0.082   3.384   2.637
  557   HG11  VAL  73          HG11      VAL  73   2.003   5.162   1.160
  558   HG12  VAL  73          HG12      VAL  73   1.495   3.589   0.539
  559   HG13  VAL  73          HG13      VAL  73   2.357   3.697   2.076
  560   HG21  VAL  73          HG21      VAL  73  -0.504   5.509   3.740
  561   HG22  VAL  73          HG22      VAL  73   0.777   6.300   2.803
  562   HG23  VAL  73          HG23      VAL  73   1.183   5.039   3.970
  563    H    ALA  74           H        ALA  74  -2.381   6.563   1.952
  564    HA   ALA  74           HA       ALA  74  -1.719   8.575   0.074
  565    HB1  ALA  74           HB1      ALA  74  -3.824   8.648   1.223
  566    HB2  ALA  74           HB2      ALA  74  -2.900  10.086   1.664
  567    HB3  ALA  74           HB3      ALA  74  -3.015   8.727   2.791
  568    H    GLY  75           H        GLY  75  -0.475  10.339   0.204
  569    HA2  GLY  75           HA2      GLY  75   1.003  11.815   1.433
  570    HA3  GLY  75           HA3      GLY  75   1.431  10.441   2.445
  571    H    ALA  76           H        ALA  76   2.048  12.121  -0.449
  572    HA   ALA  76           HA       ALA  76   3.553  10.258  -1.895
  573    HB1  ALA  76           HB1      ALA  76   4.459  12.161  -3.081
  574    HB2  ALA  76           HB2      ALA  76   3.913  13.249  -1.806
  575    HB3  ALA  76           HB3      ALA  76   2.736  12.396  -2.801
  576    H    TYR  77           H        TYR  77   5.052   9.119  -0.743
  577    HA   TYR  77           HA       TYR  77   7.174  10.701   0.573
  578    HB2  TYR  77           HB2      TYR  77   6.892   7.761   1.057
  579    HB3  TYR  77           HB3      TYR  77   7.593   9.000   2.078
  580    HD1  TYR  77           HD1      TYR  77   5.740  10.815   2.906
  581    HD2  TYR  77           HD2      TYR  77   4.977   6.787   1.774
  582    HE1  TYR  77           HE1      TYR  77   3.715  10.807   4.305
  583    HE2  TYR  77           HE2      TYR  77   2.943   6.767   3.149
  584    HH   TYR  77           HH       TYR  77   1.479   9.484   4.306
  585    H    LYS  78           H        LYS  78   8.808  10.942  -0.944
  586    HA   LYS  78           HA       LYS  78   9.836   9.079  -2.680
  587    HB2  LYS  78           HB2      LYS  78  10.938  11.394  -1.129
  588    HB3  LYS  78           HB3      LYS  78  11.993  10.399  -2.127
  589    HG2  LYS  78           HG2      LYS  78   9.489  11.707  -3.145
  590    HG3  LYS  78           HG3      LYS  78  11.085  12.370  -3.318
  591    HD2  LYS  78           HD2      LYS  78  11.792  10.306  -4.413
  592    HD3  LYS  78           HD3      LYS  78  10.104   9.777  -4.288
  593    HE2  LYS  78           HE2      LYS  78  10.248  10.683  -6.400
  594    HE3  LYS  78           HE3      LYS  78   9.511  11.914  -5.374
  595    HZ1  LYS  78           HZ1      LYS  78  11.218  12.852  -6.859
  596    HZ2  LYS  78           HZ2      LYS  78  12.384  11.866  -6.136
  597    HZ3  LYS  78           HZ3      LYS  78  11.606  13.061  -5.229
  598    H    ALA  79           H        ALA  79  11.902   7.852  -2.317
  599    HA   ALA  79           HA       ALA  79  11.688   6.139  -0.073
  600    HB1  ALA  79           HB1      ALA  79  14.021   6.525  -1.950
  601    HB2  ALA  79           HB2      ALA  79  12.691   5.387  -2.171
  602    HB3  ALA  79           HB3      ALA  79  13.815   5.182  -0.827
  603    H    THR  80           H        THR  80  13.203   9.166  -0.638
  604    HA   THR  80           HA       THR  80  15.171   8.943   1.457
  605    HB   THR  80           HB       THR  80  15.554  10.549  -0.332
  606    HG1  THR  80           HG1      THR  80  16.114  10.974   2.037
  607   HG21  THR  80          HG21      THR  80  13.272  11.186  -0.855
  608   HG22  THR  80          HG22      THR  80  14.226  12.622  -0.483
  609   HG23  THR  80          HG23      THR  80  13.107  11.970   0.714
  610    H    ASP  81           H        ASP  81  11.818   9.914   1.287
  611    HA   ASP  81           HA       ASP  81  11.803  11.308   3.788
  612    HB2  ASP  81           HB2      ASP  81  10.177  11.638   1.861
  613    HB3  ASP  81           HB3      ASP  81   9.429  10.121   2.341
  614    H    LEU  82           H        LEU  82  10.804   8.100   2.674
  615    HA   LEU  82           HA       LEU  82   9.922   7.058   5.083
  616    HB2  LEU  82           HB2      LEU  82  11.143   5.820   2.637
  617    HB3  LEU  82           HB3      LEU  82  10.482   4.861   3.947
  618    HG   LEU  82           HG       LEU  82   8.545   4.972   2.872
  619   HD11  LEU  82          HD11      LEU  82   8.104   6.660   4.587
  620   HD12  LEU  82          HD12      LEU  82   7.159   6.913   3.123
  621   HD13  LEU  82          HD13      LEU  82   8.581   7.907   3.437
  622   HD21  LEU  82          HD21      LEU  82   8.149   6.257   0.893
  623   HD22  LEU  82          HD22      LEU  82   9.748   5.518   0.839
  624   HD23  LEU  82          HD23      LEU  82   9.580   7.232   1.225
  625    H    LYS  83           H        LYS  83  13.123   6.641   3.568
  626    HA   LYS  83           HA       LYS  83  14.186   5.093   5.652
  627    HB2  LYS  83           HB2      LYS  83  15.113   5.299   3.345
  628    HB3  LYS  83           HB3      LYS  83  15.704   6.894   3.793
  629    HG2  LYS  83           HG2      LYS  83  17.174   5.985   5.420
  630    HG3  LYS  83           HG3      LYS  83  16.467   4.379   5.242
  631    HD2  LYS  83           HD2      LYS  83  17.240   4.384   2.867
  632    HD3  LYS  83           HD3      LYS  83  18.087   5.896   3.200
  633    HE2  LYS  83           HE2      LYS  83  18.554   3.271   4.610
  634    HE3  LYS  83           HE3      LYS  83  19.577   3.947   3.346
  635    HZ1  LYS  83           HZ1      LYS  83  20.105   5.795   4.772
  636    HZ2  LYS  83           HZ2      LYS  83  20.434   4.354   5.591
  637    HZ3  LYS  83           HZ3      LYS  83  19.046   5.240   5.967
  638    H    ARG  84           H        ARG  84  14.146   8.564   5.121
  639    HA   ARG  84           HA       ARG  84  15.738   9.520   7.129
  640    HB2  ARG  84           HB2      ARG  84  13.799  10.509   5.424
  641    HB3  ARG  84           HB3      ARG  84  13.191  10.884   7.023
  642    HG2  ARG  84           HG2      ARG  84  14.824  12.379   7.457
  643    HG3  ARG  84           HG3      ARG  84  16.031  11.475   6.535
  644    HD2  ARG  84           HD2      ARG  84  15.028  12.208   4.469
  645    HD3  ARG  84           HD3      ARG  84  13.789  13.100   5.354
  646    HE   ARG  84           HE       ARG  84  16.498  13.857   6.002
  647   HH11  ARG  84          HH11      ARG  84  13.772  14.443   3.878
  648   HH12  ARG  84          HH12      ARG  84  14.282  16.049   3.465
  649   HH21  ARG  84          HH21      ARG  84  17.161  15.967   5.460
  650   HH22  ARG  84          HH22      ARG  84  16.207  16.916   4.368
  651    H    MET  85           H        MET  85  12.415   8.425   7.272
  652    HA   MET  85           HA       MET  85  12.128   8.829  10.100
  653    HB2  MET  85           HB2      MET  85  10.426   7.279   8.151
  654    HB3  MET  85           HB3      MET  85   9.987   7.627   9.810
  655    HG2  MET  85           HG2      MET  85   9.974   9.997   9.318
  656    HG3  MET  85           HG3      MET  85  10.469   9.666   7.661
  657    HE1  MET  85           HE1      MET  85   8.421  11.047   6.673
  658    HE2  MET  85           HE2      MET  85   7.970  11.456   8.328
  659    HE3  MET  85           HE3      MET  85   6.756  10.828   7.215
  660    H    GLY  86           H        GLY  86  12.831   6.121   7.971
  661    HA2  GLY  86           HA2      GLY  86  13.845   4.088   8.527
  662    HA3  GLY  86           HA3      GLY  86  13.751   4.530  10.226
  663    H    ILE  87           H        ILE  87  10.820   5.008   8.761
  664    HA   ILE  87           HA       ILE  87   9.700   2.423   8.831
  665    HB   ILE  87           HB       ILE  87   9.969   3.313  11.334
  666   HG12  ILE  87          HG12      ILE  87   7.287   2.201  10.528
  667   HG13  ILE  87          HG13      ILE  87   8.741   1.228  10.422
  668   HG21  ILE  87          HG21      ILE  87   7.395   4.542  10.400
  669   HG22  ILE  87          HG22      ILE  87   8.845   5.425  10.884
  670   HG23  ILE  87          HG23      ILE  87   7.952   4.474  12.074
  671   HD11  ILE  87          HD11      ILE  87   7.590   2.467  12.899
  672   HD12  ILE  87          HD12      ILE  87   9.100   1.559  12.827
  673   HD13  ILE  87          HD13      ILE  87   7.572   0.759  12.459
  674    H    VAL  88           H        VAL  88   7.474   2.520   8.239
  675    HA   VAL  88           HA       VAL  88   6.615   5.107   7.130
  676    HB   VAL  88           HB       VAL  88   5.620   3.750   5.238
  677   HG11  VAL  88          HG11      VAL  88   7.964   3.307   4.221
  678   HG12  VAL  88          HG12      VAL  88   8.551   4.068   5.713
  679   HG13  VAL  88          HG13      VAL  88   7.481   4.954   4.621
  680   HG21  VAL  88          HG21      VAL  88   5.690   1.566   6.282
  681   HG22  VAL  88          HG22      VAL  88   7.458   1.649   6.392
  682   HG23  VAL  88          HG23      VAL  88   6.663   1.556   4.809
  683    H    THR  89           H        THR  89   4.435   5.564   7.399
  684    HA   THR  89           HA       THR  89   2.902   3.446   8.727
  685    HB   THR  89           HB       THR  89   2.137   6.354   8.816
  686    HG1  THR  89           HG1      THR  89   4.316   5.785   9.750
  687   HG21  THR  89          HG21      THR  89   0.896   5.583  10.811
  688   HG22  THR  89          HG22      THR  89   1.481   3.934  10.526
  689   HG23  THR  89          HG23      THR  89   0.402   4.711   9.354
  690    H    SER  90           H        SER  90   1.283   2.616   7.778
  691    HA   SER  90           HA       SER  90   0.659   3.216   5.080
  692    HB2  SER  90           HB2      SER  90  -0.485   1.307   7.136
  693    HB3  SER  90           HB3      SER  90  -0.974   1.326   5.429
  694    HG   SER  90           HG       SER  90   1.574   0.744   6.536
  695    H    LEU  91           H        LEU  91  -1.711   3.417   4.364
  696    HA   LEU  91           HA       LEU  91  -2.882   5.754   5.297
  697    HB2  LEU  91           HB2      LEU  91  -3.275   4.296   3.139
  698    HB3  LEU  91           HB3      LEU  91  -4.566   3.581   4.087
  699    HG   LEU  91           HG       LEU  91  -5.798   5.536   4.149
  700   HD11  LEU  91          HD11      LEU  91  -4.739   7.705   3.329
  701   HD12  LEU  91          HD12      LEU  91  -3.196   6.881   3.591
  702   HD13  LEU  91          HD13      LEU  91  -4.308   7.129   4.940
  703   HD21  LEU  91          HD21      LEU  91  -4.331   5.546   1.526
  704   HD22  LEU  91          HD22      LEU  91  -5.846   6.385   1.849
  705   HD23  LEU  91          HD23      LEU  91  -5.782   4.621   1.915
  706    H    GLU  92           H        GLU  92  -3.352   2.415   6.127
  707    HA   GLU  92           HA       GLU  92  -5.630   2.739   7.830
  708    HB2  GLU  92           HB2      GLU  92  -4.973   0.340   8.504
  709    HB3  GLU  92           HB3      GLU  92  -5.442   0.625   6.822
  710    HG2  GLU  92           HG2      GLU  92  -2.562   0.757   7.546
  711    HG3  GLU  92           HG3      GLU  92  -3.329  -0.820   7.442
  712    H    GLY  93           H        GLY  93  -2.333   3.269   8.158
  713    HA2  GLY  93           HA2      GLY  93  -1.425   4.327  10.077
  714    HA3  GLY  93           HA3      GLY  93  -2.625   3.509  11.061
  715    H    SER  94           H        SER  94  -1.333   1.358   8.827
  716    HA   SER  94           HA       SER  94   0.078  -0.008  10.849
  717    HB2  SER  94           HB2      SER  94  -0.211  -0.534   7.899
  718    HB3  SER  94           HB3      SER  94   0.457  -1.653   9.070
  719    HG   SER  94           HG       SER  94  -1.591  -1.543  10.165
  720    H    THR  95           H        THR  95   2.072   0.495  11.460
  721    HA   THR  95           HA       THR  95   3.901   1.865   9.724
  722    HB   THR  95           HB       THR  95   5.356   1.026  11.926
  723    HG1  THR  95           HG1      THR  95   3.785   0.347  13.226
  724   HG21  THR  95          HG21      THR  95   5.387   3.264  10.981
  725   HG22  THR  95          HG22      THR  95   5.041   3.346  12.709
  726   HG23  THR  95          HG23      THR  95   3.737   3.547  11.539
  727    H    ILE  96           H        ILE  96   5.679   1.125   8.778
  728    HA   ILE  96           HA       ILE  96   6.455  -1.687   9.099
  729    HB   ILE  96           HB       ILE  96   5.772  -0.255   6.565
  730   HG12  ILE  96          HG12      ILE  96   5.155  -2.758   6.029
  731   HG13  ILE  96          HG13      ILE  96   5.210  -2.920   7.779
  732   HG21  ILE  96          HG21      ILE  96   8.007  -0.723   6.067
  733   HG22  ILE  96          HG22      ILE  96   7.068  -2.012   5.310
  734   HG23  ILE  96          HG23      ILE  96   7.925  -2.313   6.822
  735   HD11  ILE  96          HD11      ILE  96   2.952  -2.502   7.005
  736   HD12  ILE  96          HD12      ILE  96   3.476  -1.001   6.242
  737   HD13  ILE  96          HD13      ILE  96   3.531  -1.163   7.997
  738    HA   PRO  97           HA       PRO  97  10.249   0.537   9.810
  739    HB2  PRO  97           HB2      PRO  97  11.718  -1.951   9.748
  740    HB3  PRO  97           HB3      PRO  97  11.311  -0.944  11.135
  741    HG2  PRO  97           HG2      PRO  97  10.251  -3.437  10.640
  742    HG3  PRO  97           HG3      PRO  97   9.502  -2.205  11.668
  743    HD2  PRO  97           HD2      PRO  97   8.827  -3.041   8.901
  744    HD3  PRO  97           HD3      PRO  97   7.777  -2.420  10.191
  745    H    ILE  98           H        ILE  98  11.438   1.533   8.481
  746    HA   ILE  98           HA       ILE  98  12.080   0.390   5.889
  747    HB   ILE  98           HB       ILE  98  12.248   3.197   6.964
  748   HG12  ILE  98          HG12      ILE  98   9.991   2.383   6.503
  749   HG13  ILE  98          HG13      ILE  98  10.462   3.619   5.341
  750   HG21  ILE  98          HG21      ILE  98  14.063   2.842   5.405
  751   HG22  ILE  98          HG22      ILE  98  12.831   3.877   4.685
  752   HG23  ILE  98          HG23      ILE  98  12.941   2.181   4.217
  753   HD11  ILE  98          HD11      ILE  98  10.830   1.992   3.648
  754   HD12  ILE  98          HD12      ILE  98   9.247   1.680   4.378
  755   HD13  ILE  98          HD13      ILE  98  10.634   0.673   4.801
  756    H    HIS  99           H        HIS  99  13.990  -0.161   5.276
  757    HA   HIS  99           HA       HIS  99  16.352   0.732   6.780
  758    HB2  HIS  99           HB2      HIS  99  15.937  -2.054   5.724
  759    HB3  HIS  99           HB3      HIS  99  17.404  -1.460   6.468
  760    HD1  HIS  99           HD1      HIS  99  14.259  -3.111   7.248
  761    HD2  HIS  99           HD2      HIS  99  17.034  -0.782   9.290
  762    HE1  HIS  99           HE1      HIS  99  13.787  -3.478   9.688
  763    HE2  HIS  99           HE2      HIS  99  15.569  -2.176  10.902
  764    H    GLY 100           H        GLY 100  18.363  -0.024   5.302
  765    HA2  GLY 100           HA2      GLY 100  18.002  -0.198   2.540
  766    HA3  GLY 100           HA3      GLY 100  18.167   1.503   2.939
  767    H    ASP 101           H        ASP 101  19.792  -1.267   2.100
  768    HA   ASP 101           HA       ASP 101  22.323  -0.537   3.339
  769    HB2  ASP 101           HB2      ASP 101  21.819  -2.917   3.036
  770    HB3  ASP 101           HB3      ASP 101  21.613  -2.674   1.307
  771    H    ASN 102           H        ASN 102  20.995  -0.885   0.088
  772    HA   ASN 102           HA       ASN 102  22.431   1.546  -0.680
  773    HB2  ASN 102           HB2      ASN 102  22.381  -1.064  -2.162
  774    HB3  ASN 102           HB3      ASN 102  22.582   0.451  -3.038
  775   HD21  ASN 102          HD21      ASN 102  24.426  -1.778  -2.735
  776   HD22  ASN 102          HD22      ASN 102  25.859  -1.121  -2.020
  777    HA   PRO 103           HA       PRO 103  18.170   1.491  -2.776
  778    HB2  PRO 103           HB2      PRO 103  16.744  -0.718  -3.098
  779    HB3  PRO 103           HB3      PRO 103  18.122  -0.403  -4.160
  780    HG2  PRO 103           HG2      PRO 103  17.964  -2.169  -1.752
  781    HG3  PRO 103           HG3      PRO 103  18.653  -2.522  -3.351
  782    HD2  PRO 103           HD2      PRO 103  20.135  -1.713  -1.211
  783    HD3  PRO 103           HD3      PRO 103  20.607  -1.425  -2.889
  784    H    LEU 104           H        LEU 104  15.844   1.332  -1.968
  785    HA   LEU 104           HA       LEU 104  15.849   1.493   0.886
  786    HB2  LEU 104           HB2      LEU 104  14.467   2.925  -0.681
  787    HB3  LEU 104           HB3      LEU 104  13.463   1.519  -0.935
  788    HG   LEU 104           HG       LEU 104  13.120   1.533   1.610
  789   HD11  LEU 104          HD11      LEU 104  14.194   4.312   1.171
  790   HD12  LEU 104          HD12      LEU 104  14.846   3.075   2.245
  791   HD13  LEU 104          HD13      LEU 104  13.276   3.810   2.591
  792   HD21  LEU 104          HD21      LEU 104  11.383   2.062   0.036
  793   HD22  LEU 104          HD22      LEU 104  12.010   3.701  -0.152
  794   HD23  LEU 104          HD23      LEU 104  11.320   3.188   1.392
  795    H    GLU 105           H        GLU 105  14.493   0.339   2.295
  796    HA   GLU 105           HA       GLU 105  13.902  -2.410   1.439
  797    HB2  GLU 105           HB2      GLU 105  15.407  -1.558   3.916
  798    HB3  GLU 105           HB3      GLU 105  14.845  -3.194   3.607
  799    HG2  GLU 105           HG2      GLU 105  16.509  -1.949   1.516
  800    HG3  GLU 105           HG3      GLU 105  17.310  -2.351   3.042
  801    H    VAL 106           H        VAL 106  11.810  -2.529   1.647
  802    HA   VAL 106           HA       VAL 106  10.522  -1.188   3.917
  803    HB   VAL 106           HB       VAL 106   9.473  -0.210   2.168
  804   HG11  VAL 106          HG11      VAL 106   9.197  -1.183  -0.062
  805   HG12  VAL 106          HG12      VAL 106   9.906  -2.691   0.515
  806   HG13  VAL 106          HG13      VAL 106  10.879  -1.217   0.471
  807   HG21  VAL 106          HG21      VAL 106   7.958  -2.814   2.270
  808   HG22  VAL 106          HG22      VAL 106   7.381  -1.346   1.479
  809   HG23  VAL 106          HG23      VAL 106   7.645  -1.359   3.227
  810    H    LYS 107           H        LYS 107   9.967  -2.420   5.521
  811    HA   LYS 107           HA       LYS 107   9.504  -4.123   6.859
  812    HB2  LYS 107           HB2      LYS 107   7.657  -5.665   6.275
  813    HB3  LYS 107           HB3      LYS 107   7.265  -3.971   6.092
  814    HG2  LYS 107           HG2      LYS 107   7.626  -4.253   3.627
  815    HG3  LYS 107           HG3      LYS 107   7.770  -5.984   3.923
  816    HD2  LYS 107           HD2      LYS 107   5.374  -4.279   4.587
  817    HD3  LYS 107           HD3      LYS 107   5.506  -5.397   3.228
  818    HE2  LYS 107           HE2      LYS 107   5.862  -7.242   4.856
  819    HE3  LYS 107           HE3      LYS 107   5.576  -6.092   6.161
  820    HZ1  LYS 107           HZ1      LYS 107   3.623  -6.763   4.027
  821    HZ2  LYS 107           HZ2      LYS 107   3.350  -5.737   5.348
  822    HZ3  LYS 107           HZ3      LYS 107   3.600  -7.390   5.598
  823    H    ASN 108           H        ASN 108   9.525  -5.936   3.800
  824    HA   ASN 108           HA       ASN 108  11.829  -7.433   4.691
  825    HB2  ASN 108           HB2      ASN 108  10.639  -9.630   4.339
  826    HB3  ASN 108           HB3      ASN 108  10.128  -8.746   5.772
  827   HD21  ASN 108          HD21      ASN 108   9.221  -9.868   2.623
  828   HD22  ASN 108          HD22      ASN 108   7.531  -9.515   2.760
  829    H    ALA 109           H        ALA 109  10.946  -5.593   2.602
  830    HA   ALA 109           HA       ALA 109  11.510  -7.268   0.262
  831    HB1  ALA 109           HB1      ALA 109  10.031  -5.826  -1.066
  832    HB2  ALA 109           HB2      ALA 109   9.607  -4.918   0.388
  833    HB3  ALA 109           HB3      ALA 109   9.153  -6.624   0.242
  834    H    THR 110           H        THR 110  12.332  -5.895  -1.586
  835    HA   THR 110           HA       THR 110  14.118  -3.816  -0.589
  836    HB   THR 110           HB       THR 110  14.828  -5.902  -2.654
  837    HG1  THR 110           HG1      THR 110  15.902  -5.630  -0.017
  838   HG21  THR 110          HG21      THR 110  16.460  -3.740  -1.316
  839   HG22  THR 110          HG22      THR 110  15.958  -3.787  -3.008
  840   HG23  THR 110          HG23      THR 110  17.107  -4.977  -2.396
  841    H    VAL 111           H        VAL 111  14.122  -2.056  -1.790
  842    HA   VAL 111           HA       VAL 111  12.289  -1.858  -3.974
  843    HB   VAL 111           HB       VAL 111  14.036   0.012  -2.486
  844   HG11  VAL 111          HG11      VAL 111  13.587   1.829  -4.050
  845   HG12  VAL 111          HG12      VAL 111  12.821   0.695  -5.159
  846   HG13  VAL 111          HG13      VAL 111  14.546   0.565  -4.816
  847   HG21  VAL 111          HG21      VAL 111  11.145   0.018  -3.316
  848   HG22  VAL 111          HG22      VAL 111  11.917   1.272  -2.349
  849   HG23  VAL 111          HG23      VAL 111  11.791  -0.371  -1.721
  850    H    LEU 112           H        LEU 112  12.634  -2.042  -6.053
  851    HA   LEU 112           HA       LEU 112  15.318  -2.377  -7.111
  852    HB2  LEU 112           HB2      LEU 112  12.583  -2.625  -8.355
  853    HB3  LEU 112           HB3      LEU 112  14.060  -2.716  -9.283
  854    HG   LEU 112           HG       LEU 112  14.698  -4.667  -7.742
  855   HD11  LEU 112          HD11      LEU 112  11.998  -4.003  -6.846
  856   HD12  LEU 112          HD12      LEU 112  13.299  -4.864  -6.006
  857   HD13  LEU 112          HD13      LEU 112  12.266  -5.720  -7.175
  858   HD21  LEU 112          HD21      LEU 112  12.395  -4.908  -9.672
  859   HD22  LEU 112          HD22      LEU 112  13.399  -6.242  -9.106
  860   HD23  LEU 112          HD23      LEU 112  14.110  -4.953 -10.077
  861    H    ALA 113           H        ALA 113  12.464  -0.386  -7.461
  862    HA   ALA 113           HA       ALA 113  14.088   1.878  -8.308
  863    HB1  ALA 113           HB1      ALA 113  12.620   2.367 -10.213
  864    HB2  ALA 113           HB2      ALA 113  11.748   0.859  -9.922
  865    HB3  ALA 113           HB3      ALA 113  13.442   0.818 -10.412
  866    H    ALA 114           H        ALA 114  13.540   3.392  -6.879
  867    HA   ALA 114           HA       ALA 114  10.703   3.833  -6.358
  868    HB1  ALA 114           HB1      ALA 114  11.381   4.368  -3.977
  869    HB2  ALA 114           HB2      ALA 114  12.905   3.557  -4.344
  870    HB3  ALA 114           HB3      ALA 114  11.382   2.661  -4.425
  871    H    ASP 115           H        ASP 115  10.890   5.960  -4.724
  872    HA   ASP 115           HA       ASP 115  10.991   8.202  -4.797
  873    HB2  ASP 115           HB2      ASP 115  13.507   7.790  -6.442
  874    HB3  ASP 115           HB3      ASP 115  12.978   9.309  -5.716
  875    H    ILE 116           H        ILE 116   9.628   6.561  -6.678
  876    HA   ILE 116           HA       ILE 116   9.704   7.876  -9.234
  877    HB   ILE 116           HB       ILE 116   7.714   5.831  -8.256
  878   HG12  ILE 116          HG12      ILE 116  10.428   5.381  -9.496
  879   HG13  ILE 116          HG13      ILE 116   9.900   4.876  -7.905
  880   HG21  ILE 116          HG21      ILE 116   7.426   5.326 -10.603
  881   HG22  ILE 116          HG22      ILE 116   8.675   6.496 -11.027
  882   HG23  ILE 116          HG23      ILE 116   7.156   7.047 -10.313
  883   HD11  ILE 116          HD11      ILE 116   9.952   2.999  -9.431
  884   HD12  ILE 116          HD12      ILE 116   8.846   3.834 -10.523
  885   HD13  ILE 116          HD13      ILE 116   8.297   3.339  -8.922
  886    H    GLU 117           H        GLU 117   8.703   9.775  -9.367
  887    HA   GLU 117           HA       GLU 117   6.626  10.620  -7.637
  888    HB2  GLU 117           HB2      GLU 117   7.250  11.711 -10.381
  889    HB3  GLU 117           HB3      GLU 117   6.405  12.527  -9.070
  890    HG2  GLU 117           HG2      GLU 117   8.452  12.513  -7.739
  891    HG3  GLU 117           HG3      GLU 117   9.297  11.687  -9.046
  892    H    ALA 118           H        ALA 118   4.748   9.625  -7.575
  893    HA   ALA 118           HA       ALA 118   3.733   8.214  -9.891
  894    HB1  ALA 118           HB1      ALA 118   2.475   7.011  -8.473
  895    HB2  ALA 118           HB2      ALA 118   2.006   8.427  -7.532
  896    HB3  ALA 118           HB3      ALA 118   3.578   7.674  -7.257
  897    H    GLU 119           H        GLU 119   1.224   8.303 -10.065
  898    HA   GLU 119           HA       GLU 119   0.369  10.562 -11.330
  899    HB2  GLU 119           HB2      GLU 119  -1.980   9.730 -10.623
  900    HB3  GLU 119           HB3      GLU 119  -0.971   8.675 -11.603
  901    HG2  GLU 119           HG2      GLU 119  -0.381   7.355  -9.700
  902    HG3  GLU 119           HG3      GLU 119  -1.164   8.482  -8.594
  903    H    ASN 120           H        ASN 120  -0.158   9.763  -7.911
  904    HA   ASN 120           HA       ASN 120  -0.877  12.579  -7.462
  905    HB2  ASN 120           HB2      ASN 120  -1.932  10.073  -6.168
  906    HB3  ASN 120           HB3      ASN 120  -2.101  11.649  -5.406
  907   HD21  ASN 120          HD21      ASN 120  -3.127   9.585  -7.995
  908   HD22  ASN 120          HD22      ASN 120  -4.459  10.562  -8.511
  909    H    GLY 121           H        GLY 121   1.293  10.037  -6.702
  910    HA2  GLY 121           HA2      GLY 121   2.499  11.698  -4.628
  911    HA3  GLY 121           HA3      GLY 121   1.968  10.110  -4.145
  912    H    ILE 122           H        ILE 122   3.248   8.493  -4.413
  913    HA   ILE 122           HA       ILE 122   5.656   8.689  -6.043
  914    HB   ILE 122           HB       ILE 122   5.581   8.259  -3.067
  915   HG12  ILE 122          HG12      ILE 122   5.678  10.607  -3.992
  916   HG13  ILE 122          HG13      ILE 122   6.982  10.169  -2.889
  917   HG21  ILE 122          HG21      ILE 122   7.958   7.767  -3.139
  918   HG22  ILE 122          HG22      ILE 122   7.936   7.884  -4.898
  919   HG23  ILE 122          HG23      ILE 122   7.043   6.596  -4.089
  920   HD11  ILE 122          HD11      ILE 122   7.839   9.470  -5.470
  921   HD12  ILE 122          HD12      ILE 122   8.456  10.789  -4.418
  922   HD13  ILE 122          HD13      ILE 122   7.135  11.094  -5.573
  923    H    ILE 123           H        ILE 123   6.617   6.669  -6.470
  924    HA   ILE 123           HA       ILE 123   5.126   4.286  -5.540
  925    HB   ILE 123           HB       ILE 123   6.127   4.763  -8.357
  926   HG12  ILE 123          HG12      ILE 123   3.364   4.219  -7.280
  927   HG13  ILE 123          HG13      ILE 123   3.970   5.806  -7.729
  928   HG21  ILE 123          HG21      ILE 123   4.908   2.260  -7.180
  929   HG22  ILE 123          HG22      ILE 123   6.581   2.450  -7.703
  930   HG23  ILE 123          HG23      ILE 123   5.274   2.525  -8.885
  931   HD11  ILE 123          HD11      ILE 123   4.277   4.960 -10.042
  932   HD12  ILE 123          HD12      ILE 123   2.604   4.995  -9.491
  933   HD13  ILE 123          HD13      ILE 123   3.483   3.464  -9.545
  934    H    HIS 124           H        HIS 124   6.320   2.430  -5.159
  935    HA   HIS 124           HA       HIS 124   9.222   2.542  -5.629
  936    HB2  HIS 124           HB2      HIS 124   8.178   1.423  -3.043
  937    HB3  HIS 124           HB3      HIS 124   9.821   1.833  -3.460
  938    HD1  HIS 124           HD1      HIS 124  10.646   3.936  -2.486
  939    HD2  HIS 124           HD2      HIS 124   6.499   3.873  -2.718
  940    HE1  HIS 124           HE1      HIS 124   9.878   6.050  -1.373
  941    HE2  HIS 124           HE2      HIS 124   7.375   6.049  -1.613
  942    H    VAL 125           H        VAL 125   9.681   0.838  -6.832
  943    HA   VAL 125           HA       VAL 125   8.015  -1.526  -6.841
  944    HB   VAL 125           HB       VAL 125  10.619  -0.922  -8.267
  945   HG11  VAL 125          HG11      VAL 125   8.656  -3.182  -8.604
  946   HG12  VAL 125          HG12      VAL 125  10.365  -3.286  -8.167
  947   HG13  VAL 125          HG13      VAL 125   9.896  -2.773  -9.787
  948   HG21  VAL 125          HG21      VAL 125   8.808   0.598  -8.881
  949   HG22  VAL 125          HG22      VAL 125   7.778  -0.782  -9.269
  950   HG23  VAL 125          HG23      VAL 125   9.234  -0.476 -10.215
  951    H    ILE 126           H        ILE 126   8.408  -3.383  -5.680
  952    HA   ILE 126           HA       ILE 126  11.014  -3.543  -4.316
  953    HB   ILE 126           HB       ILE 126  10.052  -4.445  -2.340
  954   HG12  ILE 126          HG12      ILE 126   8.009  -5.359  -3.800
  955   HG13  ILE 126          HG13      ILE 126   7.923  -5.184  -2.054
  956   HG21  ILE 126          HG21      ILE 126   8.795  -2.519  -1.510
  957   HG22  ILE 126          HG22      ILE 126   8.608  -1.939  -3.168
  958   HG23  ILE 126          HG23      ILE 126  10.215  -2.045  -2.442
  959   HD11  ILE 126          HD11      ILE 126   6.915  -3.155  -4.037
  960   HD12  ILE 126          HD12      ILE 126   6.764  -3.080  -2.278
  961   HD13  ILE 126          HD13      ILE 126   5.921  -4.338  -3.184
  962    H    ASP 127           H        ASP 127  11.607  -5.617  -3.613
  963    HA   ASP 127           HA       ASP 127  11.155  -7.445  -5.821
  964    HB2  ASP 127           HB2      ASP 127  13.427  -6.568  -5.441
  965    HB3  ASP 127           HB3      ASP 127  13.445  -7.319  -3.862
  966    H    THR 128           H        THR 128   9.547  -7.195  -3.282
  967    HA   THR 128           HA       THR 128   9.262 -10.011  -2.817
  968    HB   THR 128           HB       THR 128  10.290  -8.188  -0.666
  969    HG1  THR 128           HG1      THR 128  11.490  -9.877  -2.219
  970   HG21  THR 128          HG21      THR 128   8.927 -10.851  -0.342
  971   HG22  THR 128          HG22      THR 128   8.439  -9.294   0.339
  972   HG23  THR 128          HG23      THR 128   9.911 -10.083   0.904
  973    H    VAL 129           H        VAL 129   7.153 -10.418  -2.529
  974    HA   VAL 129           HA       VAL 129   5.300  -8.323  -1.850
  975    HB   VAL 129           HB       VAL 129   4.912 -11.289  -2.351
  976   HG11  VAL 129          HG11      VAL 129   3.296 -10.103  -0.760
  977   HG12  VAL 129          HG12      VAL 129   2.637 -11.045  -2.093
  978   HG13  VAL 129          HG13      VAL 129   2.701  -9.283  -2.203
  979   HG21  VAL 129          HG21      VAL 129   5.523  -9.994  -4.341
  980   HG22  VAL 129          HG22      VAL 129   4.197  -8.877  -4.023
  981   HG23  VAL 129          HG23      VAL 129   3.853 -10.559  -4.434
  Start of MODEL    4
    1    H1   MET   1           H1       MET   1 -18.582  14.889  -5.542
    2    H2   MET   1           H2       MET   1 -20.135  14.309  -5.231
    3    H3   MET   1           H3       MET   1 -19.812  15.113  -6.681
    4    HA   MET   1           HA       MET   1 -19.955  12.772  -7.079
    5    HB2  MET   1           HB2      MET   1 -18.328  14.104  -8.377
    6    HB3  MET   1           HB3      MET   1 -17.096  13.752  -7.176
    7    HG2  MET   1           HG2      MET   1 -17.249  11.377  -7.707
    8    HG3  MET   1           HG3      MET   1 -18.493  11.726  -8.906
    9    HE1  MET   1           HE1      MET   1 -15.938  10.049  -9.637
   10    HE2  MET   1           HE2      MET   1 -15.459  10.783 -11.167
   11    HE3  MET   1           HE3      MET   1 -17.163  10.496 -10.823
   12    H    ALA   2           H        ALA   2 -20.040  10.905  -6.078
   13    HA   ALA   2           HA       ALA   2 -18.922  10.473  -3.526
   14    HB1  ALA   2           HB1      ALA   2 -20.034   8.441  -5.459
   15    HB2  ALA   2           HB2      ALA   2 -20.980   9.381  -4.306
   16    HB3  ALA   2           HB3      ALA   2 -19.794   8.209  -3.726
   17    H    THR   3           H        THR   3 -16.905  10.058  -3.051
   18    HA   THR   3           HA       THR   3 -14.863   9.304  -4.804
   19    HB   THR   3           HB       THR   3 -15.031   8.826  -1.815
   20    HG1  THR   3           HG1      THR   3 -14.031  11.085  -3.253
   21   HG21  THR   3          HG21      THR   3 -12.656   8.802  -1.790
   22   HG22  THR   3          HG22      THR   3 -12.565   9.309  -3.477
   23   HG23  THR   3          HG23      THR   3 -13.151   7.694  -3.072
   24    H    ILE   4           H        ILE   4 -13.872   7.305  -5.197
   25    HA   ILE   4           HA       ILE   4 -15.599   5.186  -5.657
   26    HB   ILE   4           HB       ILE   4 -13.414   3.815  -5.923
   27   HG12  ILE   4          HG12      ILE   4 -11.477   5.386  -6.471
   28   HG13  ILE   4          HG13      ILE   4 -12.344   6.622  -5.570
   29   HG21  ILE   4          HG21      ILE   4 -13.998   6.221  -7.634
   30   HG22  ILE   4          HG22      ILE   4 -14.787   4.649  -7.741
   31   HG23  ILE   4          HG23      ILE   4 -13.074   4.802  -8.125
   32   HD11  ILE   4          HD11      ILE   4 -11.381   3.994  -4.465
   33   HD12  ILE   4          HD12      ILE   4 -12.219   5.258  -3.562
   34   HD13  ILE   4          HD13      ILE   4 -10.615   5.565  -4.228
   35    H    VAL   5           H        VAL   5 -13.951   5.922  -2.750
   36    HA   VAL   5           HA       VAL   5 -14.305   3.249  -1.674
   37    HB   VAL   5           HB       VAL   5 -12.305   4.238  -0.906
   38   HG11  VAL   5          HG11      VAL   5 -12.667   6.525  -1.512
   39   HG12  VAL   5          HG12      VAL   5 -12.215   6.449   0.193
   40   HG13  VAL   5          HG13      VAL   5 -13.906   6.690  -0.263
   41   HG21  VAL   5          HG21      VAL   5 -14.421   4.523   1.170
   42   HG22  VAL   5          HG22      VAL   5 -12.693   4.570   1.517
   43   HG23  VAL   5          HG23      VAL   5 -13.421   3.107   0.848
   44    H    ASP   6           H        ASP   6 -15.679   6.449  -1.450
   45    HA   ASP   6           HA       ASP   6 -17.251   6.177   0.830
   46    HB2  ASP   6           HB2      ASP   6 -16.845   8.299  -0.469
   47    HB3  ASP   6           HB3      ASP   6 -18.022   7.737  -1.638
   48    H    ILE   7           H        ILE   7 -17.945   5.580  -2.548
   49    HA   ILE   7           HA       ILE   7 -20.589   4.790  -2.366
   50    HB   ILE   7           HB       ILE   7 -18.591   3.592  -4.279
   51   HG12  ILE   7          HG12      ILE   7 -20.253   6.028  -4.831
   52   HG13  ILE   7          HG13      ILE   7 -18.714   6.192  -3.990
   53   HG21  ILE   7          HG21      ILE   7 -20.836   2.545  -4.232
   54   HG22  ILE   7          HG22      ILE   7 -20.523   3.379  -5.757
   55   HG23  ILE   7          HG23      ILE   7 -21.558   4.124  -4.538
   56   HD11  ILE   7          HD11      ILE   7 -18.532   6.574  -6.403
   57   HD12  ILE   7          HD12      ILE   7 -19.063   4.914  -6.687
   58   HD13  ILE   7          HD13      ILE   7 -17.545   5.226  -5.842
   59    H    ALA   8           H        ALA   8 -17.766   3.059  -1.305
   60    HA   ALA   8           HA       ALA   8 -18.722   0.427  -1.469
   61    HB1  ALA   8           HB1      ALA   8 -16.396   0.925  -0.974
   62    HB2  ALA   8           HB2      ALA   8 -17.090  -0.105   0.280
   63    HB3  ALA   8           HB3      ALA   8 -16.859   1.619   0.579
   64    H    VAL   9           H        VAL   9 -19.244   2.936   0.978
   65    HA   VAL   9           HA       VAL   9 -20.890   1.217   2.613
   66    HB   VAL   9           HB       VAL   9 -20.773   4.238   2.656
   67   HG11  VAL   9          HG11      VAL   9 -22.666   3.305   3.859
   68   HG12  VAL   9          HG12      VAL   9 -21.489   3.972   4.990
   69   HG13  VAL   9          HG13      VAL   9 -21.592   2.229   4.751
   70   HG21  VAL   9          HG21      VAL   9 -19.104   4.004   4.437
   71   HG22  VAL   9          HG22      VAL   9 -18.526   3.346   2.906
   72   HG23  VAL   9          HG23      VAL   9 -19.082   2.259   4.179
   73    H    ASN  10           H        ASN  10 -21.287   3.209  -0.138
   74    HA   ASN  10           HA       ASN  10 -24.114   3.696   0.156
   75    HB2  ASN  10           HB2      ASN  10 -22.541   5.270  -0.991
   76    HB3  ASN  10           HB3      ASN  10 -22.311   4.066  -2.243
   77   HD21  ASN  10          HD21      ASN  10 -23.017   5.445  -3.799
   78   HD22  ASN  10          HD22      ASN  10 -24.674   5.867  -3.979
   79    H    THR  11           H        THR  11 -22.089   1.284  -1.288
   80    HA   THR  11           HA       THR  11 -23.761   0.401  -3.337
   81    HB   THR  11           HB       THR  11 -22.519  -1.814  -3.023
   82    HG1  THR  11           HG1      THR  11 -21.739  -0.603  -0.823
   83   HG21  THR  11          HG21      THR  11 -22.028  -0.155  -4.756
   84   HG22  THR  11          HG22      THR  11 -20.557  -0.922  -4.153
   85   HG23  THR  11          HG23      THR  11 -20.983   0.706  -3.626
   86    HA   PRO  12           HA       PRO  12 -26.785  -1.887  -0.998
   87    HB2  PRO  12           HB2      PRO  12 -27.898  -2.727  -3.531
   88    HB3  PRO  12           HB3      PRO  12 -28.563  -1.583  -2.370
   89    HG2  PRO  12           HG2      PRO  12 -27.655  -0.858  -4.831
   90    HG3  PRO  12           HG3      PRO  12 -27.651   0.225  -3.430
   91    HD2  PRO  12           HD2      PRO  12 -25.419  -1.395  -4.582
   92    HD3  PRO  12           HD3      PRO  12 -25.411   0.280  -3.997
   93    H    GLY  13           H        GLY  13 -24.681  -3.241  -0.715
   94    HA2  GLY  13           HA2      GLY  13 -24.097  -5.445  -0.322
   95    HA3  GLY  13           HA3      GLY  13 -25.535  -5.940  -1.200
   96    H    PHE  14           H        PHE  14 -22.765  -3.987  -2.247
   97    HA   PHE  14           HA       PHE  14 -22.494  -5.344  -4.719
   98    HB2  PHE  14           HB2      PHE  14 -21.462  -3.034  -3.707
   99    HB3  PHE  14           HB3      PHE  14 -20.056  -4.078  -3.639
  100    HD1  PHE  14           HD1      PHE  14 -22.687  -2.846  -5.948
  101    HD2  PHE  14           HD2      PHE  14 -18.763  -4.438  -5.536
  102    HE1  PHE  14           HE1      PHE  14 -22.272  -2.432  -8.337
  103    HE2  PHE  14           HE2      PHE  14 -18.341  -4.030  -7.924
  104    HZ   PHE  14           HZ       PHE  14 -20.098  -3.025  -9.328
  105    H    SER  15           H        SER  15 -19.931  -5.971  -5.133
  106    HA   SER  15           HA       SER  15 -19.547  -8.528  -4.055
  107    HB2  SER  15           HB2      SER  15 -17.410  -6.751  -5.245
  108    HB3  SER  15           HB3      SER  15 -17.485  -8.515  -5.276
  109    HG   SER  15           HG       SER  15 -19.637  -7.980  -6.422
  110    H    THR  16           H        THR  16 -17.690  -9.238  -2.770
  111    HA   THR  16           HA       THR  16 -17.612  -7.961  -0.282
  112    HB   THR  16           HB       THR  16 -15.553  -9.940  -1.259
  113    HG1  THR  16           HG1      THR  16 -18.274 -10.295  -0.537
  114   HG21  THR  16          HG21      THR  16 -15.168  -8.959   0.963
  115   HG22  THR  16          HG22      THR  16 -15.558 -10.674   1.072
  116   HG23  THR  16          HG23      THR  16 -16.782  -9.467   1.462
  117    H    LEU  17           H        LEU  17 -15.773  -7.401  -3.116
  118    HA   LEU  17           HA       LEU  17 -13.407  -6.341  -2.175
  119    HB2  LEU  17           HB2      LEU  17 -15.149  -5.543  -4.488
  120    HB3  LEU  17           HB3      LEU  17 -13.649  -4.708  -4.150
  121    HG   LEU  17           HG       LEU  17 -12.473  -6.932  -4.362
  122   HD11  LEU  17          HD11      LEU  17 -13.623  -8.710  -5.570
  123   HD12  LEU  17          HD12      LEU  17 -15.128  -7.792  -5.501
  124   HD13  LEU  17          HD13      LEU  17 -14.392  -8.393  -4.015
  125   HD21  LEU  17          HD21      LEU  17 -12.462  -5.254  -6.132
  126   HD22  LEU  17          HD22      LEU  17 -13.964  -5.918  -6.777
  127   HD23  LEU  17          HD23      LEU  17 -12.491  -6.887  -6.794
  128    H    VAL  18           H        VAL  18 -16.639  -4.902  -2.139
  129    HA   VAL  18           HA       VAL  18 -15.617  -2.301  -1.345
  130    HB   VAL  18           HB       VAL  18 -17.841  -1.519  -1.312
  131   HG11  VAL  18          HG11      VAL  18 -17.082  -1.931  -3.538
  132   HG12  VAL  18          HG12      VAL  18 -18.799  -2.333  -3.446
  133   HG13  VAL  18          HG13      VAL  18 -17.589  -3.617  -3.443
  134   HG21  VAL  18          HG21      VAL  18 -19.829  -2.970  -1.367
  135   HG22  VAL  18          HG22      VAL  18 -18.865  -3.222   0.098
  136   HG23  VAL  18          HG23      VAL  18 -18.785  -4.386  -1.232
  137    H    THR  19           H        THR  19 -16.777  -5.184   0.113
  138    HA   THR  19           HA       THR  19 -17.226  -3.959   2.667
  139    HB   THR  19           HB       THR  19 -17.039  -6.913   2.302
  140    HG1  THR  19           HG1      THR  19 -19.203  -6.852   1.529
  141   HG21  THR  19          HG21      THR  19 -18.760  -5.063   3.965
  142   HG22  THR  19          HG22      THR  19 -17.440  -6.082   4.541
  143   HG23  THR  19          HG23      THR  19 -18.922  -6.821   3.932
  144    H    ALA  20           H        ALA  20 -14.653  -5.644   1.064
  145    HA   ALA  20           HA       ALA  20 -13.152  -6.390   3.310
  146    HB1  ALA  20           HB1      ALA  20 -12.819  -7.157   0.959
  147    HB2  ALA  20           HB2      ALA  20 -11.351  -6.746   1.843
  148    HB3  ALA  20           HB3      ALA  20 -12.010  -5.620   0.652
  149    H    VAL  21           H        VAL  21 -13.329  -3.309   1.600
  150    HA   VAL  21           HA       VAL  21 -11.346  -2.122   3.335
  151    HB   VAL  21           HB       VAL  21 -11.407  -1.004   1.293
  152   HG11  VAL  21          HG11      VAL  21 -13.495  -1.929   0.418
  153   HG12  VAL  21          HG12      VAL  21 -13.452  -0.179   0.206
  154   HG13  VAL  21          HG13      VAL  21 -14.421  -0.886   1.498
  155   HG21  VAL  21          HG21      VAL  21 -12.348   1.248   1.796
  156   HG22  VAL  21          HG22      VAL  21 -11.340   0.585   3.088
  157   HG23  VAL  21          HG23      VAL  21 -13.103   0.552   3.235
  158    H    LYS  22           H        LYS  22 -14.862  -2.309   3.193
  159    HA   LYS  22           HA       LYS  22 -15.442  -0.466   5.213
  160    HB2  LYS  22           HB2      LYS  22 -16.870  -2.696   3.899
  161    HB3  LYS  22           HB3      LYS  22 -17.498  -2.212   5.452
  162    HG2  LYS  22           HG2      LYS  22 -17.675   0.078   4.582
  163    HG3  LYS  22           HG3      LYS  22 -17.168  -0.491   3.011
  164    HD2  LYS  22           HD2      LYS  22 -19.603  -1.463   4.478
  165    HD3  LYS  22           HD3      LYS  22 -19.600  -0.215   3.236
  166    HE2  LYS  22           HE2      LYS  22 -18.680  -1.825   1.635
  167    HE3  LYS  22           HE3      LYS  22 -18.740  -3.067   2.869
  168    HZ1  LYS  22           HZ1      LYS  22 -21.157  -2.738   2.983
  169    HZ2  LYS  22           HZ2      LYS  22 -20.645  -3.257   1.460
  170    HZ3  LYS  22           HZ3      LYS  22 -21.052  -1.635   1.706
  171    H    VAL  23           H        VAL  23 -14.785  -3.914   5.301
  172    HA   VAL  23           HA       VAL  23 -15.288  -4.222   8.107
  173    HB   VAL  23           HB       VAL  23 -15.499  -6.129   6.580
  174   HG11  VAL  23          HG11      VAL  23 -13.716  -5.535   5.016
  175   HG12  VAL  23          HG12      VAL  23 -13.539  -7.194   5.604
  176   HG13  VAL  23          HG13      VAL  23 -12.507  -5.912   6.249
  177   HG21  VAL  23          HG21      VAL  23 -13.264  -6.485   8.564
  178   HG22  VAL  23          HG22      VAL  23 -14.303  -7.762   7.926
  179   HG23  VAL  23          HG23      VAL  23 -14.984  -6.493   8.946
  180    H    ALA  24           H        ALA  24 -12.516  -3.640   6.090
  181    HA   ALA  24           HA       ALA  24 -10.552  -3.923   8.132
  182    HB1  ALA  24           HB1      ALA  24 -10.111  -4.167   5.708
  183    HB2  ALA  24           HB2      ALA  24  -9.007  -3.074   6.545
  184    HB3  ALA  24           HB3      ALA  24 -10.310  -2.421   5.552
  185    H    ASN  25           H        ASN  25 -12.861  -1.649   7.524
  186    HA   ASN  25           HA       ASN  25 -13.433   0.313   8.357
  187    HB2  ASN  25           HB2      ASN  25 -12.716   0.909  10.434
  188    HB3  ASN  25           HB3      ASN  25 -12.231  -0.771  10.372
  189   HD21  ASN  25          HD21      ASN  25 -10.875   2.470   9.730
  190   HD22  ASN  25          HD22      ASN  25  -9.306   2.094  10.352
  191    H    LEU  26           H        LEU  26 -11.213  -0.032   6.189
  192    HA   LEU  26           HA       LEU  26  -9.994   2.589   6.320
  193    HB2  LEU  26           HB2      LEU  26  -9.665   0.259   4.507
  194    HB3  LEU  26           HB3      LEU  26  -9.167   1.850   3.953
  195    HG   LEU  26           HG       LEU  26  -7.772   2.024   6.049
  196   HD11  LEU  26          HD11      LEU  26  -7.113  -0.207   6.991
  197   HD12  LEU  26          HD12      LEU  26  -8.547  -0.865   6.204
  198   HD13  LEU  26          HD13      LEU  26  -8.712   0.385   7.440
  199   HD21  LEU  26          HD21      LEU  26  -5.965   0.647   5.114
  200   HD22  LEU  26          HD22      LEU  26  -6.781   1.618   3.891
  201   HD23  LEU  26          HD23      LEU  26  -7.129  -0.108   4.023
  202    H    VAL  27           H        VAL  27 -12.969   1.790   5.638
  203    HA   VAL  27           HA       VAL  27 -13.556   2.954   3.174
  204    HB   VAL  27           HB       VAL  27 -15.028   2.104   5.479
  205   HG11  VAL  27          HG11      VAL  27 -15.487   4.450   5.916
  206   HG12  VAL  27          HG12      VAL  27 -16.944   3.621   5.357
  207   HG13  VAL  27          HG13      VAL  27 -16.045   4.662   4.253
  208   HG21  VAL  27          HG21      VAL  27 -16.821   1.828   3.760
  209   HG22  VAL  27          HG22      VAL  27 -15.282   1.075   3.339
  210   HG23  VAL  27          HG23      VAL  27 -15.749   2.614   2.600
  211    H    GLU  28           H        GLU  28 -13.021   4.375   6.324
  212    HA   GLU  28           HA       GLU  28 -13.450   7.068   5.358
  213    HB2  GLU  28           HB2      GLU  28 -12.482   7.581   7.718
  214    HB3  GLU  28           HB3      GLU  28 -14.085   6.871   7.564
  215    HG2  GLU  28           HG2      GLU  28 -13.258   4.702   8.102
  216    HG3  GLU  28           HG3      GLU  28 -11.588   5.266   8.040
  217    H    ALA  29           H        ALA  29 -10.808   4.891   5.566
  218    HA   ALA  29           HA       ALA  29  -8.773   6.866   5.794
  219    HB1  ALA  29           HB1      ALA  29  -8.456   3.979   5.024
  220    HB2  ALA  29           HB2      ALA  29  -8.543   4.565   6.686
  221    HB3  ALA  29           HB3      ALA  29  -7.210   5.061   5.646
  222    H    LEU  30           H        LEU  30  -9.767   4.646   3.199
  223    HA   LEU  30           HA       LEU  30  -8.075   5.541   1.188
  224    HB2  LEU  30           HB2      LEU  30 -10.889   4.612   0.733
  225    HB3  LEU  30           HB3      LEU  30  -9.549   4.525  -0.387
  226    HG   LEU  30           HG       LEU  30  -9.942   2.909   2.115
  227   HD11  LEU  30          HD11      LEU  30  -9.935   1.037   0.553
  228   HD12  LEU  30          HD12      LEU  30  -9.735   2.163  -0.790
  229   HD13  LEU  30          HD13      LEU  30 -11.211   2.192   0.173
  230   HD21  LEU  30          HD21      LEU  30  -7.842   1.782   1.535
  231   HD22  LEU  30          HD22      LEU  30  -7.605   3.473   1.982
  232   HD23  LEU  30          HD23      LEU  30  -7.556   2.996   0.284
  233    H    GLN  31           H        GLN  31 -10.664   7.187   2.598
  234    HA   GLN  31           HA       GLN  31 -11.708   8.658   0.434
  235    HB2  GLN  31           HB2      GLN  31 -11.599   9.451   3.337
  236    HB3  GLN  31           HB3      GLN  31 -12.677  10.109   2.113
  237    HG2  GLN  31           HG2      GLN  31 -12.680   7.194   2.649
  238    HG3  GLN  31           HG3      GLN  31 -13.484   8.285   3.761
  239   HE21  GLN  31          HE21      GLN  31 -14.370   6.195   1.835
  240   HE22  GLN  31          HE22      GLN  31 -15.661   6.971   0.994
  241    H    SER  32           H        SER  32  -8.704   8.876   1.955
  242    HA   SER  32           HA       SER  32  -8.190  11.598   2.090
  243    HB2  SER  32           HB2      SER  32  -6.310   9.312   1.479
  244    HB3  SER  32           HB3      SER  32  -5.789  10.947   1.883
  245    HG   SER  32           HG       SER  32  -7.485   9.404   3.560
  246    HA   PRO  33           HA       PRO  33  -8.219  12.474  -2.328
  247    HB2  PRO  33           HB2      PRO  33  -8.367  15.150  -2.039
  248    HB3  PRO  33           HB3      PRO  33  -9.777  14.096  -1.901
  249    HG2  PRO  33           HG2      PRO  33  -8.213  15.479   0.204
  250    HG3  PRO  33           HG3      PRO  33  -9.928  15.042   0.181
  251    HD2  PRO  33           HD2      PRO  33  -7.906  13.682   1.541
  252    HD3  PRO  33           HD3      PRO  33  -9.525  13.056   1.185
  253    H    GLY  34           H        GLY  34  -5.972  13.263   0.057
  254    HA2  GLY  34           HA2      GLY  34  -4.254  15.011  -1.353
  255    HA3  GLY  34           HA3      GLY  34  -3.824  14.068   0.061
  256    HA   PRO  35           HA       PRO  35  -1.257  12.416  -3.291
  257    HB2  PRO  35           HB2      PRO  35   0.777  11.774  -1.437
  258    HB3  PRO  35           HB3      PRO  35   0.726  13.146  -2.541
  259    HG2  PRO  35           HG2      PRO  35   0.549  13.237   0.265
  260    HG3  PRO  35           HG3      PRO  35   0.263  14.556  -0.862
  261    HD2  PRO  35           HD2      PRO  35  -1.651  12.871   0.609
  262    HD3  PRO  35           HD3      PRO  35  -1.841  14.506  -0.040
  263    H    PHE  36           H        PHE  36  -0.070  10.316  -3.562
  264    HA   PHE  36           HA       PHE  36  -1.098   8.202  -1.827
  265    HB2  PHE  36           HB2      PHE  36  -1.631   8.481  -4.774
  266    HB3  PHE  36           HB3      PHE  36  -1.582   6.896  -4.013
  267    HD1  PHE  36           HD1      PHE  36  -3.013   6.767  -1.762
  268    HD2  PHE  36           HD2      PHE  36  -3.698   9.476  -4.967
  269    HE1  PHE  36           HE1      PHE  36  -5.351   7.014  -1.045
  270    HE2  PHE  36           HE2      PHE  36  -6.037   9.732  -4.254
  271    HZ   PHE  36           HZ       PHE  36  -6.866   8.499  -2.291
  272    H    THR  37           H        THR  37   0.515   6.947  -1.253
  273    HA   THR  37           HA       THR  37   2.822   6.665  -3.042
  274    HB   THR  37           HB       THR  37   2.577   6.343  -0.042
  275    HG1  THR  37           HG1      THR  37   3.196   8.355  -0.076
  276   HG21  THR  37          HG21      THR  37   4.126   4.663  -0.936
  277   HG22  THR  37          HG22      THR  37   4.998   5.913  -0.048
  278   HG23  THR  37          HG23      THR  37   4.996   5.921  -1.811
  279    H    VAL  38           H        VAL  38   2.911   4.834  -4.123
  280    HA   VAL  38           HA       VAL  38   1.482   2.476  -3.076
  281    HB   VAL  38           HB       VAL  38   2.251   3.060  -5.943
  282   HG11  VAL  38          HG11      VAL  38   0.485   0.914  -4.771
  283   HG12  VAL  38          HG12      VAL  38   2.100   0.680  -5.440
  284   HG13  VAL  38          HG13      VAL  38   0.776   1.188  -6.489
  285   HG21  VAL  38          HG21      VAL  38   0.546   4.628  -5.150
  286   HG22  VAL  38          HG22      VAL  38  -0.455   3.272  -4.629
  287   HG23  VAL  38          HG23      VAL  38  -0.107   3.504  -6.343
  288    H    PHE  39           H        PHE  39   2.740   0.867  -2.372
  289    HA   PHE  39           HA       PHE  39   5.498   0.647  -3.261
  290    HB2  PHE  39           HB2      PHE  39   3.931  -1.363  -1.598
  291    HB3  PHE  39           HB3      PHE  39   5.677  -1.219  -1.731
  292    HD1  PHE  39           HD1      PHE  39   6.886   0.533  -0.609
  293    HD2  PHE  39           HD2      PHE  39   2.673   0.111  -0.150
  294    HE1  PHE  39           HE1      PHE  39   6.949   2.001   1.377
  295    HE2  PHE  39           HE2      PHE  39   2.729   1.575   1.827
  296    HZ   PHE  39           HZ       PHE  39   4.871   2.523   2.594
  297    H    ALA  40           H        ALA  40   5.891  -0.225  -5.189
  298    HA   ALA  40           HA       ALA  40   3.771  -1.862  -6.436
  299    HB1  ALA  40           HB1      ALA  40   4.857  -1.345  -8.553
  300    HB2  ALA  40           HB2      ALA  40   6.153  -0.512  -7.694
  301    HB3  ALA  40           HB3      ALA  40   4.510   0.129  -7.647
  302    HA   PRO  41           HA       PRO  41   6.496  -5.377  -5.892
  303    HB2  PRO  41           HB2      PRO  41   4.816  -7.256  -6.833
  304    HB3  PRO  41           HB3      PRO  41   4.618  -6.531  -5.232
  305    HG2  PRO  41           HG2      PRO  41   3.165  -5.941  -7.777
  306    HG3  PRO  41           HG3      PRO  41   2.533  -6.048  -6.124
  307    HD2  PRO  41           HD2      PRO  41   3.104  -3.686  -7.404
  308    HD3  PRO  41           HD3      PRO  41   3.101  -3.887  -5.642
  309    H    ASN  42           H        ASN  42   8.094  -5.856  -7.210
  310    HA   ASN  42           HA       ASN  42   7.950  -5.478 -10.044
  311    HB2  ASN  42           HB2      ASN  42  10.229  -5.493  -9.888
  312    HB3  ASN  42           HB3      ASN  42   9.947  -5.463  -8.167
  313   HD21  ASN  42          HD21      ASN  42  10.049  -7.374  -7.018
  314   HD22  ASN  42          HD22      ASN  42  11.059  -8.663  -7.567
  315    H    ASP  43           H        ASP  43   9.065  -7.500 -11.351
  316    HA   ASP  43           HA       ASP  43   6.968  -9.317 -11.622
  317    HB2  ASP  43           HB2      ASP  43   9.820  -9.491 -12.582
  318    HB3  ASP  43           HB3      ASP  43   8.563 -10.634 -13.047
  319    H    ASP  44           H        ASP  44   9.914  -9.593  -9.705
  320    HA   ASP  44           HA       ASP  44   9.546 -12.416  -9.244
  321    HB2  ASP  44           HB2      ASP  44  11.810 -11.366  -9.331
  322    HB3  ASP  44           HB3      ASP  44  11.414 -10.514  -7.849
  323    H    ALA  45           H        ALA  45   8.500  -9.481  -7.980
  324    HA   ALA  45           HA       ALA  45   7.931 -10.428  -5.313
  325    HB1  ALA  45           HB1      ALA  45   6.984  -8.251  -4.955
  326    HB2  ALA  45           HB2      ALA  45   7.047  -7.907  -6.688
  327    HB3  ALA  45           HB3      ALA  45   8.540  -8.089  -5.770
  328    H    PHE  46           H        PHE  46   6.263  -9.718  -8.308
  329    HA   PHE  46           HA       PHE  46   3.653 -10.414  -7.538
  330    HB2  PHE  46           HB2      PHE  46   4.523  -9.308  -9.698
  331    HB3  PHE  46           HB3      PHE  46   4.844 -10.942 -10.256
  332    HD1  PHE  46           HD1      PHE  46   3.000 -12.460 -10.764
  333    HD2  PHE  46           HD2      PHE  46   2.288  -8.473  -9.467
  334    HE1  PHE  46           HE1      PHE  46   0.660 -12.642 -11.502
  335    HE2  PHE  46           HE2      PHE  46  -0.053  -8.646 -10.201
  336    HZ   PHE  46           HZ       PHE  46  -0.869 -10.731 -11.217
  337    H    ALA  47           H        ALA  47   6.480 -12.190  -8.041
  338    HA   ALA  47           HA       ALA  47   5.252 -14.774  -8.448
  339    HB1  ALA  47           HB1      ALA  47   7.302 -14.360  -9.582
  340    HB2  ALA  47           HB2      ALA  47   7.620 -15.561  -8.330
  341    HB3  ALA  47           HB3      ALA  47   8.101 -13.878  -8.087
  342    H    LYS  48           H        LYS  48   5.904 -12.770  -5.848
  343    HA   LYS  48           HA       LYS  48   6.269 -14.884  -3.869
  344    HB2  LYS  48           HB2      LYS  48   5.731 -11.989  -3.292
  345    HB3  LYS  48           HB3      LYS  48   6.573 -13.176  -2.306
  346    HG2  LYS  48           HG2      LYS  48   7.595 -12.160  -4.929
  347    HG3  LYS  48           HG3      LYS  48   8.048 -11.485  -3.365
  348    HD2  LYS  48           HD2      LYS  48   8.417 -14.371  -4.150
  349    HD3  LYS  48           HD3      LYS  48   9.671 -13.136  -4.310
  350    HE2  LYS  48           HE2      LYS  48   9.509 -12.715  -1.881
  351    HE3  LYS  48           HE3      LYS  48   8.336 -14.024  -1.761
  352    HZ1  LYS  48           HZ1      LYS  48  10.570 -14.749  -1.168
  353    HZ2  LYS  48           HZ2      LYS  48  11.136 -14.317  -2.702
  354    HZ3  LYS  48           HZ3      LYS  48  10.010 -15.564  -2.538
  355    H    LEU  49           H        LEU  49   3.854 -12.903  -5.275
  356    HA   LEU  49           HA       LEU  49   1.767 -12.906  -3.538
  357    HB2  LEU  49           HB2      LEU  49   1.809 -13.273  -6.509
  358    HB3  LEU  49           HB3      LEU  49   0.319 -13.082  -5.612
  359    HG   LEU  49           HG       LEU  49   2.572 -11.091  -5.825
  360   HD11  LEU  49          HD11      LEU  49  -0.293 -10.982  -6.731
  361   HD12  LEU  49          HD12      LEU  49   1.122 -11.170  -7.768
  362   HD13  LEU  49          HD13      LEU  49   0.885  -9.677  -6.856
  363   HD21  LEU  49          HD21      LEU  49   1.759 -10.989  -3.593
  364   HD22  LEU  49          HD22      LEU  49   0.083 -11.044  -4.138
  365   HD23  LEU  49          HD23      LEU  49   1.074  -9.626  -4.477
  366    HA   PRO  50           HA       PRO  50   0.344 -17.354  -4.914
  367    HB2  PRO  50           HB2      PRO  50   2.399 -19.008  -5.702
  368    HB3  PRO  50           HB3      PRO  50   1.298 -18.179  -6.804
  369    HG2  PRO  50           HG2      PRO  50   4.068 -17.452  -5.985
  370    HG3  PRO  50           HG3      PRO  50   3.287 -17.298  -7.568
  371    HD2  PRO  50           HD2      PRO  50   3.655 -15.191  -5.916
  372    HD3  PRO  50           HD3      PRO  50   2.252 -15.311  -7.004
  373    H    ASP  51           H        ASP  51   3.130 -16.407  -3.180
  374    HA   ASP  51           HA       ASP  51   3.147 -18.800  -1.521
  375    HB2  ASP  51           HB2      ASP  51   4.801 -16.272  -1.390
  376    HB3  ASP  51           HB3      ASP  51   4.959 -17.611  -0.261
  377    H    GLY  52           H        GLY  52   1.658 -15.769  -1.664
  378    HA2  GLY  52           HA2      GLY  52  -0.200 -15.134  -0.440
  379    HA3  GLY  52           HA3      GLY  52   0.123 -16.438   0.684
  380    H    THR  53           H        THR  53   1.933 -13.498  -0.316
  381    HA   THR  53           HA       THR  53   2.834 -12.962   2.318
  382    HB   THR  53           HB       THR  53   2.513 -11.083  -0.015
  383    HG1  THR  53           HG1      THR  53   4.951 -11.396   0.087
  384   HG21  THR  53          HG21      THR  53   2.582  -9.810   2.012
  385   HG22  THR  53          HG22      THR  53   4.162  -9.679   1.238
  386   HG23  THR  53          HG23      THR  53   3.943 -10.752   2.621
  387    H    ILE  54           H        ILE  54   0.370 -11.371   0.302
  388    HA   ILE  54           HA       ILE  54  -0.481  -9.579   2.215
  389    HB   ILE  54           HB       ILE  54  -1.342 -10.388  -0.408
  390   HG12  ILE  54          HG12      ILE  54  -1.902  -7.928  -0.461
  391   HG13  ILE  54          HG13      ILE  54  -1.436  -7.868   1.234
  392   HG21  ILE  54          HG21      ILE  54  -3.419 -11.044   0.676
  393   HG22  ILE  54          HG22      ILE  54  -3.652  -9.572  -0.270
  394   HG23  ILE  54          HG23      ILE  54  -3.506  -9.479   1.485
  395   HD11  ILE  54          HD11      ILE  54   0.808  -8.697   0.565
  396   HD12  ILE  54          HD12      ILE  54   0.381  -7.086  -0.014
  397   HD13  ILE  54          HD13      ILE  54   0.315  -8.467  -1.115
  398    H    THR  55           H        THR  55  -1.241 -12.888   1.774
  399    HA   THR  55           HA       THR  55  -3.553 -13.111   3.305
  400    HB   THR  55           HB       THR  55  -1.299 -15.076   3.100
  401    HG1  THR  55           HG1      THR  55  -3.424 -15.766   1.663
  402   HG21  THR  55          HG21      THR  55  -2.879 -16.744   3.821
  403   HG22  THR  55          HG22      THR  55  -4.185 -15.558   3.820
  404   HG23  THR  55          HG23      THR  55  -2.883 -15.428   5.004
  405    H    SER  56           H        SER  56  -0.188 -12.844   4.319
  406    HA   SER  56           HA       SER  56  -0.858 -13.249   7.090
  407    HB2  SER  56           HB2      SER  56   1.332 -13.991   6.261
  408    HB3  SER  56           HB3      SER  56   1.716 -12.342   5.773
  409    HG   SER  56           HG       SER  56   1.705 -13.508   8.296
  410    H    LEU  57           H        LEU  57  -0.571 -10.739   4.840
  411    HA   LEU  57           HA       LEU  57  -0.307  -8.559   6.658
  412    HB2  LEU  57           HB2      LEU  57  -0.775  -8.871   3.794
  413    HB3  LEU  57           HB3      LEU  57  -1.204  -7.343   4.502
  414    HG   LEU  57           HG       LEU  57   1.074  -6.990   5.227
  415   HD11  LEU  57          HD11      LEU  57   1.671  -9.687   4.029
  416   HD12  LEU  57          HD12      LEU  57   1.716  -9.269   5.741
  417   HD13  LEU  57          HD13      LEU  57   2.873  -8.544   4.626
  418   HD21  LEU  57          HD21      LEU  57   0.306  -6.561   2.779
  419   HD22  LEU  57          HD22      LEU  57   1.348  -7.934   2.396
  420   HD23  LEU  57          HD23      LEU  57   2.028  -6.499   3.160
  421    H    VAL  58           H        VAL  58  -2.975 -10.379   5.304
  422    HA   VAL  58           HA       VAL  58  -4.958  -8.458   6.130
  423    HB   VAL  58           HB       VAL  58  -5.350 -10.132   4.288
  424   HG11  VAL  58          HG11      VAL  58  -4.435 -12.128   5.157
  425   HG12  VAL  58          HG12      VAL  58  -6.183 -12.386   5.084
  426   HG13  VAL  58          HG13      VAL  58  -5.407 -12.019   6.635
  427   HG21  VAL  58          HG21      VAL  58  -7.682 -10.496   4.840
  428   HG22  VAL  58          HG22      VAL  58  -7.177  -8.893   5.379
  429   HG23  VAL  58          HG23      VAL  58  -7.346 -10.204   6.546
  430    H    GLN  59           H        GLN  59  -3.338 -11.222   7.489
  431    HA   GLN  59           HA       GLN  59  -5.024 -11.558   9.737
  432    HB2  GLN  59           HB2      GLN  59  -2.087 -12.207   9.595
  433    HB3  GLN  59           HB3      GLN  59  -3.328 -13.023  10.534
  434    HG2  GLN  59           HG2      GLN  59  -3.599 -12.945   7.598
  435    HG3  GLN  59           HG3      GLN  59  -2.412 -14.027   8.285
  436   HE21  GLN  59          HE21      GLN  59  -4.703 -14.694   6.781
  437   HE22  GLN  59          HE22      GLN  59  -5.747 -15.644   7.779
  438    H    ASN  60           H        ASN  60  -2.442  -9.582   8.835
  439    HA   ASN  60           HA       ASN  60  -1.752  -8.428  11.313
  440    HB2  ASN  60           HB2      ASN  60  -1.033  -8.197   8.493
  441    HB3  ASN  60           HB3      ASN  60  -0.998  -6.669   9.335
  442   HD21  ASN  60          HD21      ASN  60   0.356  -9.842   9.106
  443   HD22  ASN  60          HD22      ASN  60   1.760  -9.542  10.074
  444    HA   PRO  61           HA       PRO  61  -4.496  -4.976  12.131
  445    HB2  PRO  61           HB2      PRO  61  -2.346  -3.295  10.870
  446    HB3  PRO  61           HB3      PRO  61  -3.297  -2.979  12.325
  447    HG2  PRO  61           HG2      PRO  61  -0.829  -3.933  12.518
  448    HG3  PRO  61           HG3      PRO  61  -2.112  -4.512  13.595
  449    HD2  PRO  61           HD2      PRO  61  -0.778  -5.888  11.349
  450    HD3  PRO  61           HD3      PRO  61  -1.595  -6.569  12.767
  451    HA   PRO  62           HA       PRO  62  -7.318  -3.709   9.063
  452    HB2  PRO  62           HB2      PRO  62  -6.299  -0.940   9.410
  453    HB3  PRO  62           HB3      PRO  62  -7.970  -1.509   9.288
  454    HG2  PRO  62           HG2      PRO  62  -6.931  -0.988  11.663
  455    HG3  PRO  62           HG3      PRO  62  -7.942  -2.426  11.428
  456    HD2  PRO  62           HD2      PRO  62  -5.009  -2.217  11.801
  457    HD3  PRO  62           HD3      PRO  62  -6.113  -3.536  12.234
  458    H    GLN  63           H        GLN  63  -4.067  -3.085   8.334
  459    HA   GLN  63           HA       GLN  63  -3.853  -1.666   6.042
  460    HB2  GLN  63           HB2      GLN  63  -2.035  -2.810   7.243
  461    HB3  GLN  63           HB3      GLN  63  -2.548  -4.326   6.510
  462    HG2  GLN  63           HG2      GLN  63  -2.269  -3.101   4.284
  463    HG3  GLN  63           HG3      GLN  63  -1.325  -1.931   5.213
  464   HE21  GLN  63          HE21      GLN  63  -1.546  -5.098   3.962
  465   HE22  GLN  63          HE22      GLN  63   0.057  -5.567   4.309
  466    H    LEU  64           H        LEU  64  -5.659  -4.608   6.266
  467    HA   LEU  64           HA       LEU  64  -5.587  -5.689   3.765
  468    HB2  LEU  64           HB2      LEU  64  -6.928  -6.759   5.357
  469    HB3  LEU  64           HB3      LEU  64  -7.832  -5.299   5.711
  470    HG   LEU  64           HG       LEU  64  -8.712  -5.443   3.354
  471   HD11  LEU  64          HD11      LEU  64  -7.656  -8.254   3.551
  472   HD12  LEU  64          HD12      LEU  64  -7.063  -6.998   2.467
  473   HD13  LEU  64          HD13      LEU  64  -8.700  -7.627   2.276
  474   HD21  LEU  64          HD21      LEU  64  -9.524  -7.749   5.098
  475   HD22  LEU  64          HD22      LEU  64 -10.515  -6.841   3.946
  476   HD23  LEU  64          HD23      LEU  64  -9.961  -6.071   5.443
  477    H    GLY  65           H        GLY  65  -7.629  -2.986   4.827
  478    HA2  GLY  65           HA2      GLY  65  -9.024  -2.529   2.468
  479    HA3  GLY  65           HA3      GLY  65  -8.670  -1.297   3.660
  480    H    ARG  66           H        ARG  66  -5.809  -1.538   3.343
  481    HA   ARG  66           HA       ARG  66  -5.418   0.321   1.236
  482    HB2  ARG  66           HB2      ARG  66  -3.905   0.688   2.904
  483    HB3  ARG  66           HB3      ARG  66  -3.783  -1.014   3.312
  484    HG2  ARG  66           HG2      ARG  66  -2.650  -0.295   0.707
  485    HG3  ARG  66           HG3      ARG  66  -1.857   0.419   2.100
  486    HD2  ARG  66           HD2      ARG  66  -1.565  -1.774   3.101
  487    HD3  ARG  66           HD3      ARG  66  -2.411  -2.512   1.742
  488    HE   ARG  66           HE       ARG  66  -0.559  -1.884   0.328
  489   HH11  ARG  66          HH11      ARG  66   0.035  -1.475   3.756
  490   HH12  ARG  66          HH12      ARG  66   1.747  -1.651   3.609
  491   HH21  ARG  66          HH21      ARG  66   1.705  -2.102   0.129
  492   HH22  ARG  66          HH22      ARG  66   2.699  -1.998   1.543
  493    H    ILE  67           H        ILE  67  -4.361  -2.965   1.797
  494    HA   ILE  67           HA       ILE  67  -3.197  -3.701  -0.539
  495    HB   ILE  67           HB       ILE  67  -5.203  -5.371   0.974
  496   HG12  ILE  67          HG12      ILE  67  -2.228  -5.090   1.426
  497   HG13  ILE  67          HG13      ILE  67  -3.461  -4.326   2.416
  498   HG21  ILE  67          HG21      ILE  67  -3.865  -7.266   0.170
  499   HG22  ILE  67          HG22      ILE  67  -2.875  -6.150  -0.771
  500   HG23  ILE  67          HG23      ILE  67  -4.585  -6.349  -1.153
  501   HD11  ILE  67          HD11      ILE  67  -2.742  -6.247   3.566
  502   HD12  ILE  67          HD12      ILE  67  -2.895  -7.253   2.129
  503   HD13  ILE  67          HD13      ILE  67  -4.334  -6.620   2.911
  504    H    LEU  68           H        LEU  68  -6.716  -3.747   0.082
  505    HA   LEU  68           HA       LEU  68  -7.511  -5.110  -2.164
  506    HB2  LEU  68           HB2      LEU  68  -8.907  -3.039  -0.537
  507    HB3  LEU  68           HB3      LEU  68  -9.674  -3.703  -1.962
  508    HG   LEU  68           HG       LEU  68 -10.512  -5.266  -0.624
  509   HD11  LEU  68          HD11      LEU  68  -7.652  -6.164  -0.396
  510   HD12  LEU  68          HD12      LEU  68  -8.820  -6.647  -1.627
  511   HD13  LEU  68          HD13      LEU  68  -9.056  -7.131   0.053
  512   HD21  LEU  68          HD21      LEU  68  -8.452  -4.559   1.443
  513   HD22  LEU  68          HD22      LEU  68  -9.918  -5.517   1.709
  514   HD23  LEU  68          HD23      LEU  68 -10.038  -3.809   1.280
  515    H    LYS  69           H        LYS  69  -7.464  -1.526  -1.901
  516    HA   LYS  69           HA       LYS  69  -8.501  -1.424  -4.586
  517    HB2  LYS  69           HB2      LYS  69  -9.308   0.069  -2.773
  518    HB3  LYS  69           HB3      LYS  69  -7.740   0.861  -2.767
  519    HG2  LYS  69           HG2      LYS  69  -9.397   2.146  -4.008
  520    HG3  LYS  69           HG3      LYS  69  -8.080   1.610  -5.051
  521    HD2  LYS  69           HD2      LYS  69 -10.197   1.327  -6.187
  522    HD3  LYS  69           HD3      LYS  69  -9.497  -0.252  -5.836
  523    HE2  LYS  69           HE2      LYS  69 -10.958  -0.400  -3.839
  524    HE3  LYS  69           HE3      LYS  69 -11.703   1.126  -4.309
  525    HZ1  LYS  69           HZ1      LYS  69 -13.065  -0.649  -5.077
  526    HZ2  LYS  69           HZ2      LYS  69 -11.761  -1.428  -5.815
  527    HZ3  LYS  69           HZ3      LYS  69 -12.326   0.041  -6.431
  528    H    TYR  70           H        TYR  70  -5.646   0.202  -3.096
  529    HA   TYR  70           HA       TYR  70  -4.425   0.045  -5.774
  530    HB2  TYR  70           HB2      TYR  70  -4.247   2.351  -3.839
  531    HB3  TYR  70           HB3      TYR  70  -3.311   2.217  -5.320
  532    HD1  TYR  70           HD1      TYR  70  -4.865   1.750  -7.479
  533    HD2  TYR  70           HD2      TYR  70  -6.105   3.681  -3.898
  534    HE1  TYR  70           HE1      TYR  70  -6.658   2.887  -8.718
  535    HE2  TYR  70           HE2      TYR  70  -7.904   4.820  -5.125
  536    HH   TYR  70           HH       TYR  70  -8.467   5.474  -7.369
  537    H    HIS  71           H        HIS  71  -4.105  -1.120  -2.743
  538    HA   HIS  71           HA       HIS  71  -2.424  -1.784  -1.349
  539    HB2  HIS  71           HB2      HIS  71  -0.727  -1.561  -3.844
  540    HB3  HIS  71           HB3      HIS  71  -0.260  -2.392  -2.369
  541    HD1  HIS  71           HD1      HIS  71  -2.145  -2.810  -5.512
  542    HD2  HIS  71           HD2      HIS  71  -1.587  -4.879  -1.954
  543    HE1  HIS  71           HE1      HIS  71  -3.014  -5.128  -5.939
  544    HE2  HIS  71           HE2      HIS  71  -2.437  -6.416  -3.852
  545    H    VAL  72           H        VAL  72  -3.034   0.945  -1.333
  546    HA   VAL  72           HA       VAL  72  -0.486   2.368  -1.675
  547    HB   VAL  72           HB       VAL  72  -2.314   2.854  -3.318
  548   HG11  VAL  72          HG11      VAL  72  -4.204   4.224  -2.604
  549   HG12  VAL  72          HG12      VAL  72  -3.680   4.080  -0.927
  550   HG13  VAL  72          HG13      VAL  72  -4.216   2.650  -1.807
  551   HG21  VAL  72          HG21      VAL  72  -1.450   5.160  -1.586
  552   HG22  VAL  72          HG22      VAL  72  -2.079   5.280  -3.228
  553   HG23  VAL  72          HG23      VAL  72  -0.542   4.468  -2.931
  554    H    VAL  73           H        VAL  73  -0.003   4.088  -0.325
  555    HA   VAL  73           HA       VAL  73  -1.764   4.539   1.986
  556    HB   VAL  73           HB       VAL  73   0.136   3.568   2.990
  557   HG11  VAL  73          HG11      VAL  73   1.557   3.780   0.879
  558   HG12  VAL  73          HG12      VAL  73   2.389   3.934   2.427
  559   HG13  VAL  73          HG13      VAL  73   2.004   5.376   1.490
  560   HG21  VAL  73          HG21      VAL  73   1.120   5.326   4.266
  561   HG22  VAL  73          HG22      VAL  73  -0.574   5.727   3.965
  562   HG23  VAL  73          HG23      VAL  73   0.709   6.511   3.025
  563    H    ALA  74           H        ALA  74  -2.537   6.558   2.087
  564    HA   ALA  74           HA       ALA  74  -1.815   8.585   0.241
  565    HB1  ALA  74           HB1      ALA  74  -3.313   8.747   2.847
  566    HB2  ALA  74           HB2      ALA  74  -4.011   8.575   1.232
  567    HB3  ALA  74           HB3      ALA  74  -3.177  10.066   1.681
  568    H    GLY  75           H        GLY  75  -0.579  10.366   0.431
  569    HA2  GLY  75           HA2      GLY  75   0.771  11.851   1.816
  570    HA3  GLY  75           HA3      GLY  75   1.145  10.451   2.816
  571    H    ALA  76           H        ALA  76   1.891  12.194  -0.007
  572    HA   ALA  76           HA       ALA  76   3.479  10.409  -1.420
  573    HB1  ALA  76           HB1      ALA  76   4.368  12.355  -2.548
  574    HB2  ALA  76           HB2      ALA  76   3.765  13.404  -1.265
  575    HB3  ALA  76           HB3      ALA  76   2.630  12.547  -2.306
  576    H    TYR  77           H        TYR  77   5.050   9.332  -0.529
  577    HA   TYR  77           HA       TYR  77   7.162  10.843   0.899
  578    HB2  TYR  77           HB2      TYR  77   6.871   7.859   1.208
  579    HB3  TYR  77           HB3      TYR  77   7.694   9.014   2.243
  580    HD1  TYR  77           HD1      TYR  77   6.029  10.827   3.343
  581    HD2  TYR  77           HD2      TYR  77   4.925   6.950   1.981
  582    HE1  TYR  77           HE1      TYR  77   4.098  10.845   4.866
  583    HE2  TYR  77           HE2      TYR  77   2.992   6.950   3.497
  584    HH   TYR  77           HH       TYR  77   1.882   9.749   5.048
  585    H    LYS  78           H        LYS  78   9.152  10.828  -0.037
  586    HA   LYS  78           HA       LYS  78   9.579   9.030  -2.278
  587    HB2  LYS  78           HB2      LYS  78  11.019  11.420  -1.249
  588    HB3  LYS  78           HB3      LYS  78  11.925  10.233  -2.182
  589    HG2  LYS  78           HG2      LYS  78  11.181  11.321  -3.979
  590    HG3  LYS  78           HG3      LYS  78   9.663  10.516  -3.647
  591    HD2  LYS  78           HD2      LYS  78   9.337  12.568  -2.026
  592    HD3  LYS  78           HD3      LYS  78  10.436  13.325  -3.190
  593    HE2  LYS  78           HE2      LYS  78   8.991  12.628  -5.018
  594    HE3  LYS  78           HE3      LYS  78   7.924  11.823  -3.855
  595    HZ1  LYS  78           HZ1      LYS  78   8.472  14.754  -3.960
  596    HZ2  LYS  78           HZ2      LYS  78   7.423  13.984  -2.886
  597    HZ3  LYS  78           HZ3      LYS  78   7.073  14.003  -4.537
  598    H    ALA  79           H        ALA  79  11.807   7.840  -2.284
  599    HA   ALA  79           HA       ALA  79  11.779   5.979  -0.211
  600    HB1  ALA  79           HB1      ALA  79  14.096   6.653  -2.018
  601    HB2  ALA  79           HB2      ALA  79  12.783   5.540  -2.399
  602    HB3  ALA  79           HB3      ALA  79  13.901   5.169  -1.084
  603    H    THR  80           H        THR  80  13.394   9.025  -0.487
  604    HA   THR  80           HA       THR  80  15.303   8.594   1.592
  605    HB   THR  80           HB       THR  80  15.665  10.253  -0.194
  606    HG1  THR  80           HG1      THR  80  16.199  12.054   1.356
  607   HG21  THR  80          HG21      THR  80  13.390  11.107  -0.421
  608   HG22  THR  80          HG22      THR  80  14.524  12.423  -0.114
  609   HG23  THR  80          HG23      THR  80  13.491  11.829   1.185
  610    H    ASP  81           H        ASP  81  11.983   9.600   1.470
  611    HA   ASP  81           HA       ASP  81  11.942  10.772   4.096
  612    HB2  ASP  81           HB2      ASP  81   9.690   9.850   2.293
  613    HB3  ASP  81           HB3      ASP  81   9.465  10.716   3.806
  614    H    LEU  82           H        LEU  82  10.761   7.758   2.632
  615    HA   LEU  82           HA       LEU  82   9.854   6.497   4.900
  616    HB2  LEU  82           HB2      LEU  82  11.084   5.435   2.373
  617    HB3  LEU  82           HB3      LEU  82  10.344   4.392   3.576
  618    HG   LEU  82           HG       LEU  82   8.449   4.686   2.427
  619   HD11  LEU  82          HD11      LEU  82   8.532   7.518   3.362
  620   HD12  LEU  82          HD12      LEU  82   8.033   6.149   4.348
  621   HD13  LEU  82          HD13      LEU  82   7.101   6.587   2.918
  622   HD21  LEU  82          HD21      LEU  82   9.618   7.097   1.107
  623   HD22  LEU  82          HD22      LEU  82   8.131   6.272   0.639
  624   HD23  LEU  82          HD23      LEU  82   9.682   5.446   0.492
  625    H    LYS  83           H        LYS  83  13.131   6.231   3.491
  626    HA   LYS  83           HA       LYS  83  14.088   4.509   5.515
  627    HB2  LYS  83           HB2      LYS  83  15.161   4.793   3.300
  628    HB3  LYS  83           HB3      LYS  83  15.681   6.395   3.802
  629    HG2  LYS  83           HG2      LYS  83  17.109   5.502   5.478
  630    HG3  LYS  83           HG3      LYS  83  16.447   3.883   5.259
  631    HD2  LYS  83           HD2      LYS  83  18.479   3.786   4.130
  632    HD3  LYS  83           HD3      LYS  83  17.317   4.087   2.842
  633    HE2  LYS  83           HE2      LYS  83  18.897   6.263   4.197
  634    HE3  LYS  83           HE3      LYS  83  19.443   5.434   2.744
  635    HZ1  LYS  83           HZ1      LYS  83  17.283   6.173   1.721
  636    HZ2  LYS  83           HZ2      LYS  83  18.407   7.392   2.036
  637    HZ3  LYS  83           HZ3      LYS  83  17.082   7.186   3.063
  638    H    ARG  84           H        ARG  84  14.082   8.024   5.208
  639    HA   ARG  84           HA       ARG  84  15.568   8.810   7.365
  640    HB2  ARG  84           HB2      ARG  84  13.767   9.965   5.645
  641    HB3  ARG  84           HB3      ARG  84  13.022  10.180   7.217
  642    HG2  ARG  84           HG2      ARG  84  14.649  11.567   7.971
  643    HG3  ARG  84           HG3      ARG  84  15.893  10.807   6.972
  644    HD2  ARG  84           HD2      ARG  84  15.047  11.845   5.021
  645    HD3  ARG  84           HD3      ARG  84  13.669  12.508   5.894
  646    HE   ARG  84           HE       ARG  84  16.330  13.320   6.776
  647   HH11  ARG  84          HH11      ARG  84  13.403  14.111   5.019
  648   HH12  ARG  84          HH12      ARG  84  13.730  15.813   4.986
  649   HH21  ARG  84          HH21      ARG  84  16.762  15.566   6.737
  650   HH22  ARG  84          HH22      ARG  84  15.648  16.639   5.954
  651    H    MET  85           H        MET  85  12.235   7.757   7.237
  652    HA   MET  85           HA       MET  85  11.741   7.951  10.045
  653    HB2  MET  85           HB2      MET  85  10.277   6.424   7.892
  654    HB3  MET  85           HB3      MET  85   9.690   6.658   9.526
  655    HG2  MET  85           HG2      MET  85   9.480   8.999   9.183
  656    HG3  MET  85           HG3      MET  85  10.299   8.896   7.628
  657    HE1  MET  85           HE1      MET  85   7.108   7.835   9.657
  658    HE2  MET  85           HE2      MET  85   7.641   6.306   8.959
  659    HE3  MET  85           HE3      MET  85   6.138   7.050   8.413
  660    H    GLY  86           H        GLY  86  12.729   5.379   7.859
  661    HA2  GLY  86           HA2      GLY  86  13.738   3.340   8.366
  662    HA3  GLY  86           HA3      GLY  86  13.593   3.724  10.075
  663    H    ILE  87           H        ILE  87  10.713   4.210   8.537
  664    HA   ILE  87           HA       ILE  87   9.602   1.620   8.517
  665    HB   ILE  87           HB       ILE  87   9.795   2.434  11.039
  666   HG12  ILE  87          HG12      ILE  87   7.100   1.434  10.133
  667   HG13  ILE  87          HG13      ILE  87   8.522   0.413  10.042
  668   HG21  ILE  87          HG21      ILE  87   8.761   4.591  10.633
  669   HG22  ILE  87          HG22      ILE  87   7.773   3.634  11.741
  670   HG23  ILE  87          HG23      ILE  87   7.308   3.785  10.041
  671   HD11  ILE  87          HD11      ILE  87   7.272  -0.054  12.037
  672   HD12  ILE  87          HD12      ILE  87   7.362   1.638  12.520
  673   HD13  ILE  87          HD13      ILE  87   8.828   0.660  12.458
  674    H    VAL  88           H        VAL  88   7.377   1.747   7.875
  675    HA   VAL  88           HA       VAL  88   6.576   4.377   6.842
  676    HB   VAL  88           HB       VAL  88   5.596   3.086   4.881
  677   HG11  VAL  88          HG11      VAL  88   7.899   2.868   3.810
  678   HG12  VAL  88          HG12      VAL  88   8.550   3.346   5.389
  679   HG13  VAL  88          HG13      VAL  88   7.482   4.434   4.496
  680   HG21  VAL  88          HG21      VAL  88   6.660   0.930   4.368
  681   HG22  VAL  88          HG22      VAL  88   5.742   0.845   5.874
  682   HG23  VAL  88          HG23      VAL  88   7.508   0.979   5.922
  683    H    THR  89           H        THR  89   4.438   4.877   7.089
  684    HA   THR  89           HA       THR  89   2.810   2.817   8.402
  685    HB   THR  89           HB       THR  89   2.263   5.754   8.716
  686    HG1  THR  89           HG1      THR  89   4.346   4.270   9.776
  687   HG21  THR  89          HG21      THR  89   1.219   4.939  10.803
  688   HG22  THR  89          HG22      THR  89   1.682   3.283  10.372
  689   HG23  THR  89          HG23      THR  89   0.526   4.173   9.368
  690    H    SER  90           H        SER  90   0.901   2.342   7.610
  691    HA   SER  90           HA       SER  90   0.336   3.245   4.946
  692    HB2  SER  90           HB2      SER  90  -0.722   1.054   6.726
  693    HB3  SER  90           HB3      SER  90  -1.364   1.364   5.090
  694    HG   SER  90           HG       SER  90   1.099   0.331   5.900
  695    H    LEU  91           H        LEU  91  -2.212   3.205   4.454
  696    HA   LEU  91           HA       LEU  91  -3.111   5.694   5.239
  697    HB2  LEU  91           HB2      LEU  91  -3.800   4.013   3.315
  698    HB3  LEU  91           HB3      LEU  91  -5.112   3.636   4.406
  699    HG   LEU  91           HG       LEU  91  -6.123   5.652   4.140
  700   HD11  LEU  91          HD11      LEU  91  -3.405   6.749   3.570
  701   HD12  LEU  91          HD12      LEU  91  -4.456   7.106   4.942
  702   HD13  LEU  91          HD13      LEU  91  -4.886   7.670   3.325
  703   HD21  LEU  91          HD21      LEU  91  -6.075   6.276   1.832
  704   HD22  LEU  91          HD22      LEU  91  -5.942   4.518   1.973
  705   HD23  LEU  91          HD23      LEU  91  -4.512   5.490   1.623
  706    H    GLU  92           H        GLU  92  -3.893   2.528   6.583
  707    HA   GLU  92           HA       GLU  92  -5.864   3.654   8.395
  708    HB2  GLU  92           HB2      GLU  92  -5.846   1.204   9.306
  709    HB3  GLU  92           HB3      GLU  92  -6.577   1.541   7.734
  710    HG2  GLU  92           HG2      GLU  92  -5.104  -0.525   7.861
  711    HG3  GLU  92           HG3      GLU  92  -4.699   0.625   6.586
  712    H    GLY  93           H        GLY  93  -2.529   3.111   8.322
  713    HA2  GLY  93           HA2      GLY  93  -1.235   4.184  10.094
  714    HA3  GLY  93           HA3      GLY  93  -2.385   3.522  11.241
  715    H    SER  94           H        SER  94  -1.354   1.433   8.634
  716    HA   SER  94           HA       SER  94  -0.150  -0.258  10.561
  717    HB2  SER  94           HB2      SER  94  -0.482  -1.965   9.046
  718    HB3  SER  94           HB3      SER  94  -1.810  -0.869   8.610
  719    HG   SER  94           HG       SER  94  -0.908  -0.600   6.755
  720    H    THR  95           H        THR  95   1.930  -0.264  11.045
  721    HA   THR  95           HA       THR  95   3.796   1.145   9.338
  722    HB   THR  95           HB       THR  95   5.232   0.244  11.511
  723    HG1  THR  95           HG1      THR  95   3.801  -0.278  12.973
  724   HG21  THR  95          HG21      THR  95   3.656   2.804  11.254
  725   HG22  THR  95          HG22      THR  95   5.235   2.493  10.532
  726   HG23  THR  95          HG23      THR  95   5.063   2.545  12.289
  727    H    ILE  96           H        ILE  96   5.462   0.347   8.296
  728    HA   ILE  96           HA       ILE  96   6.237  -2.461   8.648
  729    HB   ILE  96           HB       ILE  96   5.853  -1.028   6.019
  730   HG12  ILE  96          HG12      ILE  96   4.648  -3.332   5.589
  731   HG13  ILE  96          HG13      ILE  96   4.543  -3.366   7.347
  732   HG21  ILE  96          HG21      ILE  96   7.284  -3.610   6.558
  733   HG22  ILE  96          HG22      ILE  96   7.949  -2.138   5.847
  734   HG23  ILE  96          HG23      ILE  96   6.750  -3.084   4.963
  735   HD11  ILE  96          HD11      ILE  96   2.516  -2.461   6.358
  736   HD12  ILE  96          HD12      ILE  96   3.455  -1.194   5.568
  737   HD13  ILE  96          HD13      ILE  96   3.344  -1.242   7.328
  738    HA   PRO  97           HA       PRO  97  10.029  -0.272   9.432
  739    HB2  PRO  97           HB2      PRO  97  11.474  -2.794   9.259
  740    HB3  PRO  97           HB3      PRO  97  11.152  -1.793  10.674
  741    HG2  PRO  97           HG2      PRO  97  10.009  -4.233  10.250
  742    HG3  PRO  97           HG3      PRO  97   9.268  -2.954  11.224
  743    HD2  PRO  97           HD2      PRO  97   8.645  -3.837   8.449
  744    HD3  PRO  97           HD3      PRO  97   7.562  -3.231   9.717
  745    H    ILE  98           H        ILE  98  11.354   0.752   8.215
  746    HA   ILE  98           HA       ILE  98  12.062  -0.277   5.587
  747    HB   ILE  98           HB       ILE  98  12.282   2.476   6.803
  748   HG12  ILE  98          HG12      ILE  98  10.009   1.779   6.208
  749   HG13  ILE  98          HG13      ILE  98  10.582   3.058   5.139
  750   HG21  ILE  98          HG21      ILE  98  14.142   2.168   5.315
  751   HG22  ILE  98          HG22      ILE  98  12.955   3.221   4.545
  752   HG23  ILE  98          HG23      ILE  98  13.082   1.531   4.061
  753   HD11  ILE  98          HD11      ILE  98  10.699   0.148   4.427
  754   HD12  ILE  98          HD12      ILE  98  10.923   1.538   3.363
  755   HD13  ILE  98          HD13      ILE  98   9.328   1.192   4.051
  756    H    HIS  99           H        HIS  99  14.008  -0.784   5.015
  757    HA   HIS  99           HA       HIS  99  16.281  -0.232   6.806
  758    HB2  HIS  99           HB2      HIS  99  15.787  -2.648   5.104
  759    HB3  HIS  99           HB3      HIS  99  17.328  -2.306   5.855
  760    HD1  HIS  99           HD1      HIS  99  17.646  -3.689   7.863
  761    HD2  HIS  99           HD2      HIS  99  13.651  -2.672   7.329
  762    HE1  HIS  99           HE1      HIS  99  16.409  -4.787   9.753
  763    HE2  HIS  99           HE2      HIS  99  13.980  -4.309   9.303
  764    H    GLY 100           H        GLY 100  18.427  -0.449   5.333
  765    HA2  GLY 100           HA2      GLY 100  18.335  -0.187   2.593
  766    HA3  GLY 100           HA3      GLY 100  18.103   1.438   3.206
  767    H    ASP 101           H        ASP 101  20.341  -0.947   2.380
  768    HA   ASP 101           HA       ASP 101  22.511   0.570   3.669
  769    HB2  ASP 101           HB2      ASP 101  22.540  -1.872   4.066
  770    HB3  ASP 101           HB3      ASP 101  22.646  -2.142   2.328
  771    H    ASN 102           H        ASN 102  21.415  -0.718   0.564
  772    HA   ASN 102           HA       ASN 102  22.952   1.438  -0.699
  773    HB2  ASN 102           HB2      ASN 102  24.061  -0.690  -1.188
  774    HB3  ASN 102           HB3      ASN 102  22.570  -1.334  -1.842
  775   HD21  ASN 102          HD21      ASN 102  25.248   0.770  -2.373
  776   HD22  ASN 102          HD22      ASN 102  24.936   1.089  -4.042
  777    HA   PRO 103           HA       PRO 103  18.739   1.280  -2.897
  778    HB2  PRO 103           HB2      PRO 103  17.210  -0.878  -2.994
  779    HB3  PRO 103           HB3      PRO 103  18.658  -0.802  -4.012
  780    HG2  PRO 103           HG2      PRO 103  18.316  -2.121  -1.334
  781    HG3  PRO 103           HG3      PRO 103  18.982  -2.813  -2.823
  782    HD2  PRO 103           HD2      PRO 103  20.562  -1.795  -0.879
  783    HD3  PRO 103           HD3      PRO 103  20.976  -1.723  -2.594
  784    H    LEU 104           H        LEU 104  16.388   1.388  -2.170
  785    HA   LEU 104           HA       LEU 104  16.158   1.582   0.678
  786    HB2  LEU 104           HB2      LEU 104  14.842   3.006  -0.923
  787    HB3  LEU 104           HB3      LEU 104  13.947   1.569  -1.361
  788    HG   LEU 104           HG       LEU 104  13.356   1.421   1.147
  789   HD11  LEU 104          HD11      LEU 104  14.905   3.067   1.986
  790   HD12  LEU 104          HD12      LEU 104  13.246   3.608   2.268
  791   HD13  LEU 104          HD13      LEU 104  14.192   4.304   0.950
  792   HD21  LEU 104          HD21      LEU 104  11.560   3.221   0.768
  793   HD22  LEU 104          HD22      LEU 104  11.607   1.813  -0.289
  794   HD23  LEU 104          HD23      LEU 104  12.268   3.355  -0.845
  795    H    GLU 105           H        GLU 105  14.696   0.321   1.971
  796    HA   GLU 105           HA       GLU 105  14.255  -2.383   0.953
  797    HB2  GLU 105           HB2      GLU 105  15.786  -1.718   3.469
  798    HB3  GLU 105           HB3      GLU 105  15.303  -3.336   2.979
  799    HG2  GLU 105           HG2      GLU 105  16.789  -1.899   0.928
  800    HG3  GLU 105           HG3      GLU 105  17.696  -2.132   2.427
  801    H    VAL 106           H        VAL 106  12.326  -3.024   1.469
  802    HA   VAL 106           HA       VAL 106  10.974  -1.814   3.781
  803    HB   VAL 106           HB       VAL 106  10.005  -0.634   2.070
  804   HG11  VAL 106          HG11      VAL 106   9.492  -1.617  -0.169
  805   HG12  VAL 106          HG12      VAL 106  10.364  -3.062   0.345
  806   HG13  VAL 106          HG13      VAL 106  11.206  -1.510   0.235
  807   HG21  VAL 106          HG21      VAL 106   8.187  -1.792   3.207
  808   HG22  VAL 106          HG22      VAL 106   8.338  -3.148   2.090
  809   HG23  VAL 106          HG23      VAL 106   7.803  -1.576   1.496
  810    H    LYS 107           H        LYS 107  10.180  -3.293   5.144
  811    HA   LYS 107           HA       LYS 107   9.865  -5.330   6.080
  812    HB2  LYS 107           HB2      LYS 107   8.046  -6.667   5.118
  813    HB3  LYS 107           HB3      LYS 107   7.651  -4.962   5.156
  814    HG2  LYS 107           HG2      LYS 107   8.461  -4.996   2.684
  815    HG3  LYS 107           HG3      LYS 107   8.193  -6.729   2.823
  816    HD2  LYS 107           HD2      LYS 107   6.130  -4.610   3.410
  817    HD3  LYS 107           HD3      LYS 107   6.241  -5.524   1.906
  818    HE2  LYS 107           HE2      LYS 107   5.856  -6.763   4.622
  819    HE3  LYS 107           HE3      LYS 107   4.540  -6.377   3.519
  820    HZ1  LYS 107           HZ1      LYS 107   5.521  -7.883   1.881
  821    HZ2  LYS 107           HZ2      LYS 107   5.186  -8.695   3.332
  822    HZ3  LYS 107           HZ3      LYS 107   6.775  -8.262   2.961
  823    H    ASN 108           H        ASN 108   9.238  -7.650   3.965
  824    HA   ASN 108           HA       ASN 108  11.982  -8.597   3.961
  825    HB2  ASN 108           HB2      ASN 108  10.967 -10.724   3.118
  826    HB3  ASN 108           HB3      ASN 108  10.318 -10.198   4.665
  827   HD21  ASN 108          HD21      ASN 108   9.165 -11.976   2.657
  828   HD22  ASN 108          HD22      ASN 108   7.643 -11.275   2.219
  829    H    ALA 109           H        ALA 109  11.125  -6.373   2.236
  830    HA   ALA 109           HA       ALA 109  11.660  -7.570  -0.398
  831    HB1  ALA 109           HB1      ALA 109   9.897  -5.172   0.110
  832    HB2  ALA 109           HB2      ALA 109   9.301  -6.825  -0.119
  833    HB3  ALA 109           HB3      ALA 109  10.161  -6.004  -1.424
  834    H    THR 110           H        THR 110  12.536  -6.000  -1.964
  835    HA   THR 110           HA       THR 110  14.280  -4.007  -0.763
  836    HB   THR 110           HB       THR 110  15.042  -5.940  -2.974
  837    HG1  THR 110           HG1      THR 110  15.892  -5.757  -0.240
  838   HG21  THR 110          HG21      THR 110  16.656  -3.819  -1.540
  839   HG22  THR 110          HG22      THR 110  16.113  -3.760  -3.218
  840   HG23  THR 110          HG23      THR 110  17.295  -4.970  -2.715
  841    H    VAL 111           H        VAL 111  14.493  -2.172  -1.992
  842    HA   VAL 111           HA       VAL 111  12.429  -1.862  -3.999
  843    HB   VAL 111           HB       VAL 111  14.259   0.059  -2.623
  844   HG11  VAL 111          HG11      VAL 111  12.276   0.719  -4.798
  845   HG12  VAL 111          HG12      VAL 111  14.030   0.800  -4.960
  846   HG13  VAL 111          HG13      VAL 111  13.197   1.879  -3.842
  847   HG21  VAL 111          HG21      VAL 111  12.401  -0.660  -1.334
  848   HG22  VAL 111          HG22      VAL 111  11.297  -0.396  -2.682
  849   HG23  VAL 111          HG23      VAL 111  12.069   0.977  -1.894
  850    H    LEU 112           H        LEU 112  12.672  -1.996  -6.071
  851    HA   LEU 112           HA       LEU 112  15.293  -2.093  -7.265
  852    HB2  LEU 112           HB2      LEU 112  12.537  -2.451  -8.420
  853    HB3  LEU 112           HB3      LEU 112  13.996  -2.483  -9.379
  854    HG   LEU 112           HG       LEU 112  14.728  -4.403  -7.805
  855   HD11  LEU 112          HD11      LEU 112  12.317  -3.689  -6.649
  856   HD12  LEU 112          HD12      LEU 112  13.296  -5.116  -6.273
  857   HD13  LEU 112          HD13      LEU 112  11.984  -5.229  -7.476
  858   HD21  LEU 112          HD21      LEU 112  12.477  -4.758  -9.786
  859   HD22  LEU 112          HD22      LEU 112  13.542  -6.037  -9.200
  860   HD23  LEU 112          HD23      LEU 112  14.200  -4.714 -10.163
  861    H    ALA 113           H        ALA 113  12.458  -0.023  -7.048
  862    HA   ALA 113           HA       ALA 113  13.908   2.194  -8.168
  863    HB1  ALA 113           HB1      ALA 113  13.253   1.058 -10.227
  864    HB2  ALA 113           HB2      ALA 113  12.399   2.592 -10.055
  865    HB3  ALA 113           HB3      ALA 113  11.569   1.076  -9.707
  866    H    ALA 114           H        ALA 114  13.368   3.671  -6.690
  867    HA   ALA 114           HA       ALA 114  10.523   4.135  -6.228
  868    HB1  ALA 114           HB1      ALA 114  11.297   2.917  -4.296
  869    HB2  ALA 114           HB2      ALA 114  11.067   4.607  -3.839
  870    HB3  ALA 114           HB3      ALA 114  12.692   3.982  -4.147
  871    H    ASP 115           H        ASP 115  10.661   6.274  -4.622
  872    HA   ASP 115           HA       ASP 115  10.822   8.541  -4.711
  873    HB2  ASP 115           HB2      ASP 115  13.302   8.082  -4.679
  874    HB3  ASP 115           HB3      ASP 115  13.283   8.070  -6.434
  875    H    ILE 116           H        ILE 116   9.480   6.754  -6.613
  876    HA   ILE 116           HA       ILE 116   9.506   8.178  -9.139
  877    HB   ILE 116           HB       ILE 116   7.625   5.980  -8.310
  878   HG12  ILE 116          HG12      ILE 116  10.419   5.714  -9.423
  879   HG13  ILE 116          HG13      ILE 116   9.832   5.121  -7.890
  880   HG21  ILE 116          HG21      ILE 116   8.678   6.688 -11.030
  881   HG22  ILE 116          HG22      ILE 116   7.188   7.350 -10.348
  882   HG23  ILE 116          HG23      ILE 116   7.335   5.611 -10.630
  883   HD11  ILE 116          HD11      ILE 116   8.961   4.140 -10.595
  884   HD12  ILE 116          HD12      ILE 116   8.381   3.540  -9.041
  885   HD13  ILE 116          HD13      ILE 116  10.070   3.317  -9.496
  886    H    GLU 117           H        GLU 117   8.430  10.158  -8.899
  887    HA   GLU 117           HA       GLU 117   6.207  10.473  -7.341
  888    HB2  GLU 117           HB2      GLU 117   6.005  12.509  -9.023
  889    HB3  GLU 117           HB3      GLU 117   7.115  12.401  -7.662
  890    HG2  GLU 117           HG2      GLU 117   8.892  11.927  -8.853
  891    HG3  GLU 117           HG3      GLU 117   7.947  11.273 -10.189
  892    H    ALA 118           H        ALA 118   4.428   9.553  -7.523
  893    HA   ALA 118           HA       ALA 118   3.461   8.451 -10.002
  894    HB1  ALA 118           HB1      ALA 118   3.199   6.990  -8.223
  895    HB2  ALA 118           HB2      ALA 118   1.580   7.666  -8.421
  896    HB3  ALA 118           HB3      ALA 118   2.636   8.256  -7.128
  897    H    GLU 119           H        GLU 119   0.930   8.524 -10.097
  898    HA   GLU 119           HA       GLU 119   0.021  10.853 -11.114
  899    HB2  GLU 119           HB2      GLU 119  -2.300  10.002 -10.341
  900    HB3  GLU 119           HB3      GLU 119  -1.353   8.998 -11.430
  901    HG2  GLU 119           HG2      GLU 119  -0.641   7.604  -9.586
  902    HG3  GLU 119           HG3      GLU 119  -1.479   8.642  -8.437
  903    H    ASN 120           H        ASN 120  -0.401   9.861  -7.721
  904    HA   ASN 120           HA       ASN 120  -0.970  12.675  -7.101
  905    HB2  ASN 120           HB2      ASN 120  -2.111  10.187  -5.836
  906    HB3  ASN 120           HB3      ASN 120  -2.300  11.796  -5.152
  907   HD21  ASN 120          HD21      ASN 120  -3.303   9.600  -7.627
  908   HD22  ASN 120          HD22      ASN 120  -4.575  10.580  -8.268
  909    H    GLY 121           H        GLY 121   1.211  10.128  -6.587
  910    HA2  GLY 121           HA2      GLY 121   2.455  11.590  -4.402
  911    HA3  GLY 121           HA3      GLY 121   1.886   9.993  -3.989
  912    H    ILE 122           H        ILE 122   3.156   8.378  -4.315
  913    HA   ILE 122           HA       ILE 122   5.415   8.530  -6.134
  914    HB   ILE 122           HB       ILE 122   5.626   8.256  -3.147
  915   HG12  ILE 122          HG12      ILE 122   5.697  10.488  -4.350
  916   HG13  ILE 122          HG13      ILE 122   7.044  10.133  -3.263
  917   HG21  ILE 122          HG21      ILE 122   7.673   7.515  -5.211
  918   HG22  ILE 122          HG22      ILE 122   6.974   6.477  -3.965
  919   HG23  ILE 122          HG23      ILE 122   8.046   7.809  -3.514
  920   HD11  ILE 122          HD11      ILE 122   7.416  11.096  -5.714
  921   HD12  ILE 122          HD12      ILE 122   7.359   9.375  -6.114
  922   HD13  ILE 122          HD13      ILE 122   8.556   9.979  -4.961
  923    H    ILE 123           H        ILE 123   6.150   6.592  -6.839
  924    HA   ILE 123           HA       ILE 123   4.800   4.151  -5.856
  925    HB   ILE 123           HB       ILE 123   5.742   4.919  -8.621
  926   HG12  ILE 123          HG12      ILE 123   3.180   3.549  -7.861
  927   HG13  ILE 123          HG13      ILE 123   3.360   5.281  -7.629
  928   HG21  ILE 123          HG21      ILE 123   5.076   2.118  -7.696
  929   HG22  ILE 123          HG22      ILE 123   6.674   2.693  -8.174
  930   HG23  ILE 123          HG23      ILE 123   5.370   2.616  -9.363
  931   HD11  ILE 123          HD11      ILE 123   3.678   3.830 -10.245
  932   HD12  ILE 123          HD12      ILE 123   3.771   5.576  -9.995
  933   HD13  ILE 123          HD13      ILE 123   2.249   4.727  -9.732
  934    H    HIS 124           H        HIS 124   6.107   2.243  -5.645
  935    HA   HIS 124           HA       HIS 124   8.963   2.600  -5.915
  936    HB2  HIS 124           HB2      HIS 124   9.353   3.125  -3.866
  937    HB3  HIS 124           HB3      HIS 124   7.613   3.114  -3.541
  938    HD1  HIS 124           HD1      HIS 124  10.153   2.504  -1.673
  939    HD2  HIS 124           HD2      HIS 124   7.293  -0.146  -3.077
  940    HE1  HIS 124           HE1      HIS 124   9.943   0.743   0.099
  941    HE2  HIS 124           HE2      HIS 124   8.151  -0.807  -0.737
  942    H    VAL 125           H        VAL 125   9.702   0.966  -6.814
  943    HA   VAL 125           HA       VAL 125   8.141  -1.462  -6.992
  944    HB   VAL 125           HB       VAL 125  10.814  -0.835  -8.263
  945   HG11  VAL 125          HG11      VAL 125  10.306  -3.211  -8.217
  946   HG12  VAL 125          HG12      VAL 125  10.201  -2.586  -9.862
  947   HG13  VAL 125          HG13      VAL 125   8.729  -2.904  -8.944
  948   HG21  VAL 125          HG21      VAL 125   9.524  -0.251 -10.270
  949   HG22  VAL 125          HG22      VAL 125   9.158   0.821  -8.919
  950   HG23  VAL 125          HG23      VAL 125   8.029  -0.460  -9.361
  951    H    ILE 126           H        ILE 126   8.462  -3.256  -5.849
  952    HA   ILE 126           HA       ILE 126  11.039  -3.532  -4.444
  953    HB   ILE 126           HB       ILE 126   9.982  -4.571  -2.572
  954   HG12  ILE 126          HG12      ILE 126   7.924  -5.178  -4.267
  955   HG13  ILE 126          HG13      ILE 126   7.898  -5.400  -2.525
  956   HG21  ILE 126          HG21      ILE 126   8.657  -1.967  -3.280
  957   HG22  ILE 126          HG22      ILE 126  10.212  -2.201  -2.464
  958   HG23  ILE 126          HG23      ILE 126   8.717  -2.683  -1.662
  959   HD11  ILE 126          HD11      ILE 126   5.881  -4.283  -3.344
  960   HD12  ILE 126          HD12      ILE 126   6.873  -2.963  -3.967
  961   HD13  ILE 126          HD13      ILE 126   6.797  -3.269  -2.229
  962    H    ASP 127           H        ASP 127  11.475  -5.666  -3.760
  963    HA   ASP 127           HA       ASP 127  11.283  -7.292  -6.138
  964    HB2  ASP 127           HB2      ASP 127  13.485  -6.642  -5.433
  965    HB3  ASP 127           HB3      ASP 127  13.212  -7.253  -3.825
  966    H    THR 128           H        THR 128   9.621  -7.079  -3.434
  967    HA   THR 128           HA       THR 128   8.763  -9.803  -3.438
  968    HB   THR 128           HB       THR 128  10.366  -8.708  -1.150
  969    HG1  THR 128           HG1      THR 128  10.861 -10.446  -3.036
  970   HG21  THR 128          HG21      THR 128   8.302 -10.893  -1.012
  971   HG22  THR 128          HG22      THR 128   8.359  -9.392  -0.078
  972   HG23  THR 128          HG23      THR 128   9.566 -10.650   0.195
  973    H    VAL 129           H        VAL 129   6.615  -9.798  -3.012
  974    HA   VAL 129           HA       VAL 129   5.271  -7.476  -2.127
  975    HB   VAL 129           HB       VAL 129   4.334 -10.351  -2.373
  976   HG11  VAL 129          HG11      VAL 129   3.046  -9.146  -0.697
  977   HG12  VAL 129          HG12      VAL 129   2.087  -9.475  -2.138
  978   HG13  VAL 129          HG13      VAL 129   2.733  -7.860  -1.858
  979   HG21  VAL 129          HG21      VAL 129   4.923  -9.227  -4.486
  980   HG22  VAL 129          HG22      VAL 129   3.812  -7.917  -4.084
  981   HG23  VAL 129          HG23      VAL 129   3.191  -9.542  -4.370
  Start of MODEL    5
    1    H1   MET   1           H1       MET   1 -21.009  15.935  -2.873
    2    H2   MET   1           H2       MET   1 -20.815  15.194  -1.366
    3    H3   MET   1           H3       MET   1 -21.684  14.411  -2.587
    4    HA   MET   1           HA       MET   1 -19.710  14.217  -3.932
    5    HB2  MET   1           HB2      MET   1 -18.565  16.233  -3.090
    6    HB3  MET   1           HB3      MET   1 -18.325  15.445  -1.537
    7    HG2  MET   1           HG2      MET   1 -16.981  13.707  -2.694
    8    HG3  MET   1           HG3      MET   1 -17.130  14.643  -4.179
    9    HE1  MET   1           HE1      MET   1 -14.865  16.041  -0.406
   10    HE2  MET   1           HE2      MET   1 -15.649  14.471  -0.574
   11    HE3  MET   1           HE3      MET   1 -16.624  15.935  -0.459
   12    H    ALA   2           H        ALA   2 -19.509  12.079  -3.923
   13    HA   ALA   2           HA       ALA   2 -18.970  10.752  -1.348
   14    HB1  ALA   2           HB1      ALA   2 -20.019   8.749  -2.215
   15    HB2  ALA   2           HB2      ALA   2 -20.305   9.540  -3.766
   16    HB3  ALA   2           HB3      ALA   2 -21.143  10.107  -2.320
   17    H    THR   3           H        THR   3 -16.873  10.416  -1.255
   18    HA   THR   3           HA       THR   3 -15.109  10.073  -3.400
   19    HB   THR   3           HB       THR   3 -14.823   9.055  -0.559
   20    HG1  THR   3           HG1      THR   3 -15.007  11.175  -0.239
   21   HG21  THR   3          HG21      THR   3 -13.145   8.179  -2.191
   22   HG22  THR   3          HG22      THR   3 -12.448   9.167  -0.908
   23   HG23  THR   3          HG23      THR   3 -12.667   9.846  -2.523
   24    H    ILE   4           H        ILE   4 -14.088   8.190  -4.202
   25    HA   ILE   4           HA       ILE   4 -15.785   6.134  -4.920
   26    HB   ILE   4           HB       ILE   4 -13.624   4.887  -5.546
   27   HG12  ILE   4          HG12      ILE   4 -11.687   6.543  -5.792
   28   HG13  ILE   4          HG13      ILE   4 -12.513   7.529  -4.594
   29   HG21  ILE   4          HG21      ILE   4 -14.263   7.611  -6.652
   30   HG22  ILE   4          HG22      ILE   4 -14.989   6.078  -7.129
   31   HG23  ILE   4          HG23      ILE   4 -13.287   6.389  -7.466
   32   HD11  ILE   4          HD11      ILE   4 -11.564   4.707  -4.170
   33   HD12  ILE   4          HD12      ILE   4 -12.320   5.751  -2.966
   34   HD13  ILE   4          HD13      ILE   4 -10.739   6.165  -3.625
   35    H    VAL   5           H        VAL   5 -13.947   6.398  -2.032
   36    HA   VAL   5           HA       VAL   5 -14.294   3.597  -1.332
   37    HB   VAL   5           HB       VAL   5 -12.223   4.412  -0.565
   38   HG11  VAL   5          HG11      VAL   5 -12.549   6.758  -0.896
   39   HG12  VAL   5          HG12      VAL   5 -11.972   6.479   0.748
   40   HG13  VAL   5          HG13      VAL   5 -13.684   6.818   0.457
   41   HG21  VAL   5          HG21      VAL   5 -12.451   4.518   1.918
   42   HG22  VAL   5          HG22      VAL   5 -13.214   3.128   1.145
   43   HG23  VAL   5          HG23      VAL   5 -14.196   4.497   1.668
   44    H    ASP   6           H        ASP   6 -15.553   6.753  -0.602
   45    HA   ASP   6           HA       ASP   6 -17.011   6.293   1.704
   46    HB2  ASP   6           HB2      ASP   6 -16.673   8.514   0.621
   47    HB3  ASP   6           HB3      ASP   6 -17.810   8.050  -0.631
   48    H    ILE   7           H        ILE   7 -17.942   6.065  -1.655
   49    HA   ILE   7           HA       ILE   7 -20.534   5.169  -1.447
   50    HB   ILE   7           HB       ILE   7 -18.528   4.373  -3.555
   51   HG12  ILE   7          HG12      ILE   7 -20.455   6.671  -3.696
   52   HG13  ILE   7          HG13      ILE   7 -18.891   6.868  -2.915
   53   HG21  ILE   7          HG21      ILE   7 -20.576   3.059  -3.689
   54   HG22  ILE   7          HG22      ILE   7 -20.519   4.222  -5.014
   55   HG23  ILE   7          HG23      ILE   7 -21.546   4.527  -3.613
   56   HD11  ILE   7          HD11      ILE   7 -18.904   7.607  -5.250
   57   HD12  ILE   7          HD12      ILE   7 -19.275   5.955  -5.750
   58   HD13  ILE   7          HD13      ILE   7 -17.747   6.312  -4.940
   59    H    ALA   8           H        ALA   8 -17.639   3.358  -0.732
   60    HA   ALA   8           HA       ALA   8 -18.611   0.754  -1.129
   61    HB1  ALA   8           HB1      ALA   8 -16.265   1.184  -0.680
   62    HB2  ALA   8           HB2      ALA   8 -16.915   0.051   0.505
   63    HB3  ALA   8           HB3      ALA   8 -16.658   1.742   0.946
   64    H    VAL   9           H        VAL   9 -18.992   2.994   1.581
   65    HA   VAL   9           HA       VAL   9 -20.573   1.150   3.135
   66    HB   VAL   9           HB       VAL   9 -20.469   4.154   3.441
   67   HG11  VAL   9          HG11      VAL   9 -20.940   3.649   5.807
   68   HG12  VAL   9          HG12      VAL   9 -21.070   1.939   5.398
   69   HG13  VAL   9          HG13      VAL   9 -22.222   3.095   4.731
   70   HG21  VAL   9          HG21      VAL   9 -18.606   2.102   4.626
   71   HG22  VAL   9          HG22      VAL   9 -18.637   3.818   5.027
   72   HG23  VAL   9          HG23      VAL   9 -18.192   3.301   3.401
   73    H    ASN  10           H        ASN  10 -21.127   3.072   0.435
   74    HA   ASN  10           HA       ASN  10 -23.938   3.618   1.017
   75    HB2  ASN  10           HB2      ASN  10 -22.419   5.359   0.006
   76    HB3  ASN  10           HB3      ASN  10 -22.315   4.353  -1.425
   77   HD21  ASN  10          HD21      ASN  10 -23.177   5.908  -2.712
   78   HD22  ASN  10          HD22      ASN  10 -24.834   6.355  -2.646
   79    H    THR  11           H        THR  11 -21.954   1.441  -0.780
   80    HA   THR  11           HA       THR  11 -23.584   0.877  -2.956
   81    HB   THR  11           HB       THR  11 -22.367  -1.399  -2.871
   82    HG1  THR  11           HG1      THR  11 -21.734  -0.664  -0.526
   83   HG21  THR  11          HG21      THR  11 -21.829   0.435  -4.401
   84   HG22  THR  11          HG22      THR  11 -20.370  -0.380  -3.835
   85   HG23  THR  11          HG23      THR  11 -20.830   1.180  -3.153
   86    HA   PRO  12           HA       PRO  12 -26.742  -1.635  -1.043
   87    HB2  PRO  12           HB2      PRO  12 -27.795  -2.089  -3.702
   88    HB3  PRO  12           HB3      PRO  12 -28.468  -1.101  -2.410
   89    HG2  PRO  12           HG2      PRO  12 -27.471  -0.060  -4.716
   90    HG3  PRO  12           HG3      PRO  12 -27.476   0.811  -3.173
   91    HD2  PRO  12           HD2      PRO  12 -25.255  -0.699  -4.489
   92    HD3  PRO  12           HD3      PRO  12 -25.220   0.878  -3.678
   93    H    GLY  13           H        GLY  13 -24.599  -3.066  -0.972
   94    HA2  GLY  13           HA2      GLY  13 -24.147  -5.341  -0.832
   95    HA3  GLY  13           HA3      GLY  13 -25.532  -5.652  -1.866
   96    H    PHE  14           H        PHE  14 -22.702  -3.609  -2.460
   97    HA   PHE  14           HA       PHE  14 -22.232  -4.666  -5.047
   98    HB2  PHE  14           HB2      PHE  14 -21.257  -2.518  -3.631
   99    HB3  PHE  14           HB3      PHE  14 -19.862  -3.580  -3.701
  100    HD1  PHE  14           HD1      PHE  14 -22.441  -1.985  -5.849
  101    HD2  PHE  14           HD2      PHE  14 -18.524  -3.627  -5.594
  102    HE1  PHE  14           HE1      PHE  14 -21.968  -1.206  -8.135
  103    HE2  PHE  14           HE2      PHE  14 -18.045  -2.847  -7.876
  104    HZ   PHE  14           HZ       PHE  14 -19.768  -1.637  -9.152
  105    H    SER  15           H        SER  15 -19.754  -5.405  -5.449
  106    HA   SER  15           HA       SER  15 -19.422  -8.006  -4.513
  107    HB2  SER  15           HB2      SER  15 -17.198  -6.163  -5.400
  108    HB3  SER  15           HB3      SER  15 -17.276  -7.919  -5.571
  109    HG   SER  15           HG       SER  15 -19.188  -7.496  -6.924
  110    H    THR  16           H        THR  16 -17.837  -8.879  -3.065
  111    HA   THR  16           HA       THR  16 -17.848  -7.745  -0.522
  112    HB   THR  16           HB       THR  16 -15.844  -9.779  -1.506
  113    HG1  THR  16           HG1      THR  16 -18.604  -9.924  -1.139
  114   HG21  THR  16          HG21      THR  16 -15.470  -8.932   0.775
  115   HG22  THR  16          HG22      THR  16 -15.964 -10.625   0.786
  116   HG23  THR  16          HG23      THR  16 -17.126  -9.365   1.202
  117    H    LEU  17           H        LEU  17 -15.733  -7.157  -3.175
  118    HA   LEU  17           HA       LEU  17 -13.419  -6.257  -1.981
  119    HB2  LEU  17           HB2      LEU  17 -14.883  -5.101  -4.348
  120    HB3  LEU  17           HB3      LEU  17 -13.244  -4.672  -3.900
  121    HG   LEU  17           HG       LEU  17 -14.154  -7.437  -4.702
  122   HD11  LEU  17          HD11      LEU  17 -14.228  -5.908  -6.579
  123   HD12  LEU  17          HD12      LEU  17 -12.864  -7.016  -6.744
  124   HD13  LEU  17          HD13      LEU  17 -12.593  -5.355  -6.217
  125   HD21  LEU  17          HD21      LEU  17 -11.405  -6.332  -4.134
  126   HD22  LEU  17          HD22      LEU  17 -11.749  -7.933  -4.786
  127   HD23  LEU  17          HD23      LEU  17 -12.281  -7.513  -3.159
  128    H    VAL  18           H        VAL  18 -16.578  -4.670  -2.061
  129    HA   VAL  18           HA       VAL  18 -15.499  -2.152  -1.118
  130    HB   VAL  18           HB       VAL  18 -17.695  -1.304  -1.068
  131   HG11  VAL  18          HG11      VAL  18 -18.615  -1.899  -3.248
  132   HG12  VAL  18          HG12      VAL  18 -17.573  -3.323  -3.290
  133   HG13  VAL  18          HG13      VAL  18 -16.862  -1.708  -3.303
  134   HG21  VAL  18          HG21      VAL  18 -19.730  -2.687  -1.214
  135   HG22  VAL  18          HG22      VAL  18 -18.794  -3.030   0.255
  136   HG23  VAL  18          HG23      VAL  18 -18.731  -4.141  -1.122
  137    H    THR  19           H        THR  19 -16.820  -5.052   0.202
  138    HA   THR  19           HA       THR  19 -17.155  -3.943   2.822
  139    HB   THR  19           HB       THR  19 -17.091  -6.881   2.305
  140    HG1  THR  19           HG1      THR  19 -19.405  -6.577   1.781
  141   HG21  THR  19          HG21      THR  19 -17.366  -6.109   4.595
  142   HG22  THR  19          HG22      THR  19 -18.879  -6.815   4.026
  143   HG23  THR  19          HG23      THR  19 -18.697  -5.061   4.106
  144    H    ALA  20           H        ALA  20 -14.711  -5.624   1.062
  145    HA   ALA  20           HA       ALA  20 -13.172  -6.581   3.193
  146    HB1  ALA  20           HB1      ALA  20 -11.412  -6.838   1.605
  147    HB2  ALA  20           HB2      ALA  20 -12.185  -5.695   0.507
  148    HB3  ALA  20           HB3      ALA  20 -12.942  -7.250   0.834
  149    H    VAL  21           H        VAL  21 -13.127  -3.404   1.591
  150    HA   VAL  21           HA       VAL  21 -11.106  -2.393   3.375
  151    HB   VAL  21           HB       VAL  21 -11.154  -1.153   1.405
  152   HG11  VAL  21          HG11      VAL  21 -13.265  -1.959   0.500
  153   HG12  VAL  21          HG12      VAL  21 -13.193  -0.200   0.401
  154   HG13  VAL  21          HG13      VAL  21 -14.158  -0.974   1.658
  155   HG21  VAL  21          HG21      VAL  21 -11.015   0.348   3.267
  156   HG22  VAL  21          HG22      VAL  21 -12.772   0.347   3.451
  157   HG23  VAL  21          HG23      VAL  21 -12.033   1.098   2.031
  158    H    LYS  22           H        LYS  22 -14.624  -2.451   3.327
  159    HA   LYS  22           HA       LYS  22 -15.093  -0.674   5.436
  160    HB2  LYS  22           HB2      LYS  22 -16.621  -2.810   4.070
  161    HB3  LYS  22           HB3      LYS  22 -17.214  -2.334   5.636
  162    HG2  LYS  22           HG2      LYS  22 -17.252  -0.007   4.799
  163    HG3  LYS  22           HG3      LYS  22 -16.864  -0.610   3.208
  164    HD2  LYS  22           HD2      LYS  22 -19.262  -1.464   4.787
  165    HD3  LYS  22           HD3      LYS  22 -19.260  -0.153   3.614
  166    HE2  LYS  22           HE2      LYS  22 -18.548  -1.731   1.876
  167    HE3  LYS  22           HE3      LYS  22 -18.616  -3.026   3.049
  168    HZ1  LYS  22           HZ1      LYS  22 -20.906  -1.374   2.165
  169    HZ2  LYS  22           HZ2      LYS  22 -20.983  -2.594   3.332
  170    HZ3  LYS  22           HZ3      LYS  22 -20.615  -2.982   1.729
  171    H    VAL  23           H        VAL  23 -14.558  -4.138   5.364
  172    HA   VAL  23           HA       VAL  23 -14.958  -4.530   8.177
  173    HB   VAL  23           HB       VAL  23 -15.353  -6.356   6.589
  174   HG11  VAL  23          HG11      VAL  23 -13.610  -5.812   4.965
  175   HG12  VAL  23          HG12      VAL  23 -13.497  -7.496   5.492
  176   HG13  VAL  23          HG13      VAL  23 -12.370  -6.294   6.128
  177   HG21  VAL  23          HG21      VAL  23 -14.769  -6.848   8.908
  178   HG22  VAL  23          HG22      VAL  23 -13.065  -6.904   8.462
  179   HG23  VAL  23          HG23      VAL  23 -14.187  -8.106   7.816
  180    H    ALA  24           H        ALA  24 -12.260  -3.989   6.054
  181    HA   ALA  24           HA       ALA  24 -10.223  -4.450   7.988
  182    HB1  ALA  24           HB1      ALA  24 -10.016  -2.840   5.475
  183    HB2  ALA  24           HB2      ALA  24  -9.920  -4.599   5.532
  184    HB3  ALA  24           HB3      ALA  24  -8.712  -3.619   6.368
  185    H    ASN  25           H        ASN  25 -12.448  -2.038   7.572
  186    HA   ASN  25           HA       ASN  25 -12.887  -0.126   8.585
  187    HB2  ASN  25           HB2      ASN  25 -12.022   0.294  10.653
  188    HB3  ASN  25           HB3      ASN  25 -11.670  -1.405  10.449
  189   HD21  ASN  25          HD21      ASN  25  -9.912   1.567   9.478
  190   HD22  ASN  25          HD22      ASN  25  -8.438   1.104  10.255
  191    H    LEU  26           H        LEU  26 -10.805  -0.398   6.271
  192    HA   LEU  26           HA       LEU  26  -9.494   2.175   6.499
  193    HB2  LEU  26           HB2      LEU  26  -9.364  -0.023   4.498
  194    HB3  LEU  26           HB3      LEU  26  -8.845   1.590   4.036
  195    HG   LEU  26           HG       LEU  26  -7.321   1.525   6.076
  196   HD11  LEU  26          HD11      LEU  26  -6.649  -0.757   6.756
  197   HD12  LEU  26          HD12      LEU  26  -8.038  -1.384   5.874
  198   HD13  LEU  26          HD13      LEU  26  -8.280  -0.314   7.255
  199   HD21  LEU  26          HD21      LEU  26  -6.870  -0.327   3.746
  200   HD22  LEU  26          HD22      LEU  26  -5.609   0.239   4.846
  201   HD23  LEU  26          HD23      LEU  26  -6.468   1.392   3.825
  202    H    VAL  27           H        VAL  27 -12.539   1.456   5.900
  203    HA   VAL  27           HA       VAL  27 -13.222   2.803   3.562
  204    HB   VAL  27           HB       VAL  27 -14.601   1.810   5.862
  205   HG11  VAL  27          HG11      VAL  27 -15.660   4.449   4.865
  206   HG12  VAL  27          HG12      VAL  27 -15.011   4.133   6.476
  207   HG13  VAL  27          HG13      VAL  27 -16.499   3.343   5.953
  208   HG21  VAL  27          HG21      VAL  27 -14.982   0.922   3.691
  209   HG22  VAL  27          HG22      VAL  27 -15.398   2.518   3.048
  210   HG23  VAL  27          HG23      VAL  27 -16.480   1.718   4.185
  211    H    GLU  28           H        GLU  28 -12.532   4.020   6.766
  212    HA   GLU  28           HA       GLU  28 -12.976   6.767   5.972
  213    HB2  GLU  28           HB2      GLU  28 -11.961   7.153   8.328
  214    HB3  GLU  28           HB3      GLU  28 -13.569   6.460   8.171
  215    HG2  GLU  28           HG2      GLU  28 -12.695   4.244   8.540
  216    HG3  GLU  28           HG3      GLU  28 -11.048   4.874   8.590
  217    H    ALA  29           H        ALA  29 -10.364   4.576   5.906
  218    HA   ALA  29           HA       ALA  29  -8.290   6.511   6.164
  219    HB1  ALA  29           HB1      ALA  29  -8.090   3.674   5.190
  220    HB2  ALA  29           HB2      ALA  29  -8.009   4.170   6.880
  221    HB3  ALA  29           HB3      ALA  29  -6.765   4.696   5.746
  222    H    LEU  30           H        LEU  30  -9.395   4.448   3.483
  223    HA   LEU  30           HA       LEU  30  -7.829   5.478   1.448
  224    HB2  LEU  30           HB2      LEU  30 -10.663   4.583   1.071
  225    HB3  LEU  30           HB3      LEU  30  -9.370   4.549  -0.106
  226    HG   LEU  30           HG       LEU  30  -9.666   2.807   2.324
  227   HD11  LEU  30          HD11      LEU  30  -9.795   1.022   0.688
  228   HD12  LEU  30          HD12      LEU  30  -9.591   2.191  -0.617
  229   HD13  LEU  30          HD13      LEU  30 -11.040   2.235   0.389
  230   HD21  LEU  30          HD21      LEU  30  -7.616   1.687   1.570
  231   HD22  LEU  30          HD22      LEU  30  -7.329   3.348   2.096
  232   HD23  LEU  30          HD23      LEU  30  -7.376   2.965   0.374
  233    H    GLN  31           H        GLN  31 -10.288   7.064   3.097
  234    HA   GLN  31           HA       GLN  31 -11.512   8.615   1.092
  235    HB2  GLN  31           HB2      GLN  31 -11.156   9.248   4.020
  236    HB3  GLN  31           HB3      GLN  31 -12.311  10.009   2.931
  237    HG2  GLN  31           HG2      GLN  31 -12.331   7.058   3.257
  238    HG3  GLN  31           HG3      GLN  31 -13.030   8.076   4.502
  239   HE21  GLN  31          HE21      GLN  31 -14.078   6.144   2.467
  240   HE22  GLN  31          HE22      GLN  31 -15.420   6.999   1.796
  241    H    SER  32           H        SER  32  -8.375   8.760   2.279
  242    HA   SER  32           HA       SER  32  -7.837  11.512   2.329
  243    HB2  SER  32           HB2      SER  32  -5.999   9.221   1.614
  244    HB3  SER  32           HB3      SER  32  -5.484  10.845   2.064
  245    HG   SER  32           HG       SER  32  -7.181   9.423   3.792
  246    HA   PRO  33           HA       PRO  33  -8.350  12.110  -2.096
  247    HB2  PRO  33           HB2      PRO  33  -8.597  14.774  -1.999
  248    HB3  PRO  33           HB3      PRO  33  -9.905  13.697  -1.500
  249    HG2  PRO  33           HG2      PRO  33  -7.982  15.262   0.154
  250    HG3  PRO  33           HG3      PRO  33  -9.692  14.906   0.454
  251    HD2  PRO  33           HD2      PRO  33  -7.549  13.580   1.617
  252    HD3  PRO  33           HD3      PRO  33  -9.203  12.951   1.506
  253    H    GLY  34           H        GLY  34  -5.859  13.267  -0.063
  254    HA2  GLY  34           HA2      GLY  34  -4.511  14.959  -1.909
  255    HA3  GLY  34           HA3      GLY  34  -3.856  14.337  -0.406
  256    HA   PRO  35           HA       PRO  35  -1.302  12.471  -3.586
  257    HB2  PRO  35           HB2      PRO  35   0.844  12.003  -1.958
  258    HB3  PRO  35           HB3      PRO  35   0.536  13.515  -2.809
  259    HG2  PRO  35           HG2      PRO  35   0.252  12.874   0.036
  260    HG3  PRO  35           HG3      PRO  35   0.474  14.440  -0.742
  261    HD2  PRO  35           HD2      PRO  35  -1.925  13.397   0.298
  262    HD3  PRO  35           HD3      PRO  35  -1.743  14.845  -0.705
  263    H    PHE  36           H        PHE  36  -0.049  10.453  -3.791
  264    HA   PHE  36           HA       PHE  36  -1.232   8.253  -2.262
  265    HB2  PHE  36           HB2      PHE  36  -2.725   8.070  -3.951
  266    HB3  PHE  36           HB3      PHE  36  -1.793   9.077  -5.031
  267    HD1  PHE  36           HD1      PHE  36   0.410   7.720  -5.978
  268    HD2  PHE  36           HD2      PHE  36  -3.267   6.018  -4.684
  269    HE1  PHE  36           HE1      PHE  36   0.810   5.768  -7.419
  270    HE2  PHE  36           HE2      PHE  36  -2.862   4.055  -6.107
  271    HZ   PHE  36           HZ       PHE  36  -0.822   3.928  -7.478
  272    H    THR  37           H        THR  37   0.228   6.801  -1.734
  273    HA   THR  37           HA       THR  37   2.731   6.674  -3.269
  274    HB   THR  37           HB       THR  37   2.338   6.621  -0.269
  275    HG1  THR  37           HG1      THR  37   3.008   8.611  -0.435
  276   HG21  THR  37          HG21      THR  37   4.856   6.096  -1.853
  277   HG22  THR  37          HG22      THR  37   3.953   4.902  -0.919
  278   HG23  THR  37          HG23      THR  37   4.745   6.248  -0.099
  279    H    VAL  38           H        VAL  38   3.117   4.713  -4.084
  280    HA   VAL  38           HA       VAL  38   1.646   2.462  -2.873
  281    HB   VAL  38           HB       VAL  38   0.880   3.323  -5.180
  282   HG11  VAL  38          HG11      VAL  38   3.217   1.701  -6.136
  283   HG12  VAL  38          HG12      VAL  38   3.212   3.459  -6.061
  284   HG13  VAL  38          HG13      VAL  38   2.062   2.621  -7.103
  285   HG21  VAL  38          HG21      VAL  38   0.119   1.223  -4.209
  286   HG22  VAL  38          HG22      VAL  38   1.557   0.406  -4.820
  287   HG23  VAL  38          HG23      VAL  38   0.366   1.057  -5.946
  288    H    PHE  39           H        PHE  39   2.599   0.450  -2.870
  289    HA   PHE  39           HA       PHE  39   5.487   0.348  -3.430
  290    HB2  PHE  39           HB2      PHE  39   3.818  -1.472  -1.662
  291    HB3  PHE  39           HB3      PHE  39   5.562  -1.564  -1.881
  292    HD1  PHE  39           HD1      PHE  39   7.033   0.104  -0.889
  293    HD2  PHE  39           HD2      PHE  39   2.826   0.187  -0.239
  294    HE1  PHE  39           HE1      PHE  39   7.359   1.633   1.013
  295    HE2  PHE  39           HE2      PHE  39   3.146   1.718   1.659
  296    HZ   PHE  39           HZ       PHE  39   5.414   2.443   2.286
  297    H    ALA  40           H        ALA  40   5.822  -0.480  -5.412
  298    HA   ALA  40           HA       ALA  40   3.778  -2.265  -6.538
  299    HB1  ALA  40           HB1      ALA  40   4.691  -1.659  -8.713
  300    HB2  ALA  40           HB2      ALA  40   5.961  -0.719  -7.928
  301    HB3  ALA  40           HB3      ALA  40   4.275  -0.220  -7.783
  302    HA   PRO  41           HA       PRO  41   6.869  -5.508  -5.993
  303    HB2  PRO  41           HB2      PRO  41   5.187  -7.572  -6.474
  304    HB3  PRO  41           HB3      PRO  41   5.226  -6.720  -4.926
  305    HG2  PRO  41           HG2      PRO  41   3.303  -6.457  -7.193
  306    HG3  PRO  41           HG3      PRO  41   2.993  -6.431  -5.449
  307    HD2  PRO  41           HD2      PRO  41   3.137  -4.186  -7.020
  308    HD3  PRO  41           HD3      PRO  41   3.471  -4.203  -5.278
  309    H    ASN  42           H        ASN  42   8.267  -6.196  -7.511
  310    HA   ASN  42           HA       ASN  42   7.548  -5.984 -10.300
  311    HB2  ASN  42           HB2      ASN  42   9.812  -6.053 -10.792
  312    HB3  ASN  42           HB3      ASN  42   9.851  -5.418  -9.174
  313   HD21  ASN  42          HD21      ASN  42  10.677  -6.596  -7.553
  314   HD22  ASN  42          HD22      ASN  42  11.620  -8.022  -7.831
  315    H    ASP  43           H        ASP  43   8.862  -7.932 -11.597
  316    HA   ASP  43           HA       ASP  43   6.994 -10.031 -11.537
  317    HB2  ASP  43           HB2      ASP  43   9.675  -9.746 -12.867
  318    HB3  ASP  43           HB3      ASP  43   8.752 -11.238 -12.989
  319    H    ASP  44           H        ASP  44  10.006  -9.608  -9.819
  320    HA   ASP  44           HA       ASP  44  10.262 -12.451  -9.241
  321    HB2  ASP  44           HB2      ASP  44  12.242 -10.894  -9.510
  322    HB3  ASP  44           HB3      ASP  44  11.792 -10.206  -7.958
  323    H    ALA  45           H        ALA  45   8.750  -9.711  -8.006
  324    HA   ALA  45           HA       ALA  45   8.459 -10.623  -5.294
  325    HB1  ALA  45           HB1      ALA  45   6.917  -8.715  -5.103
  326    HB2  ALA  45           HB2      ALA  45   7.072  -8.445  -6.841
  327    HB3  ALA  45           HB3      ALA  45   8.474  -8.250  -5.791
  328    H    PHE  46           H        PHE  46   6.528 -10.451  -8.231
  329    HA   PHE  46           HA       PHE  46   4.242 -11.797  -7.291
  330    HB2  PHE  46           HB2      PHE  46   4.531 -10.519  -9.467
  331    HB3  PHE  46           HB3      PHE  46   5.392 -11.919 -10.084
  332    HD1  PHE  46           HD1      PHE  46   2.133 -10.695  -8.883
  333    HD2  PHE  46           HD2      PHE  46   4.228 -13.855 -10.808
  334    HE1  PHE  46           HE1      PHE  46  -0.009 -11.710  -9.539
  335    HE2  PHE  46           HE2      PHE  46   2.091 -14.878 -11.467
  336    HZ   PHE  46           HZ       PHE  46  -0.032 -13.807 -10.834
  337    H    ALA  47           H        ALA  47   7.390 -12.782  -8.137
  338    HA   ALA  47           HA       ALA  47   6.802 -15.582  -8.501
  339    HB1  ALA  47           HB1      ALA  47   8.624 -14.545  -9.750
  340    HB2  ALA  47           HB2      ALA  47   9.206 -15.859  -8.730
  341    HB3  ALA  47           HB3      ALA  47   9.458 -14.184  -8.239
  342    H    LYS  48           H        LYS  48   7.622 -13.435  -5.941
  343    HA   LYS  48           HA       LYS  48   8.558 -15.206  -3.964
  344    HB2  LYS  48           HB2      LYS  48   6.672 -12.902  -3.587
  345    HB3  LYS  48           HB3      LYS  48   7.649 -13.677  -2.371
  346    HG2  LYS  48           HG2      LYS  48   9.074 -12.550  -4.636
  347    HG3  LYS  48           HG3      LYS  48   8.293 -11.451  -3.505
  348    HD2  LYS  48           HD2      LYS  48  10.351 -11.686  -2.508
  349    HD3  LYS  48           HD3      LYS  48   9.386 -12.920  -1.691
  350    HE2  LYS  48           HE2      LYS  48  11.604 -13.722  -2.329
  351    HE3  LYS  48           HE3      LYS  48  10.308 -14.633  -3.098
  352    HZ1  LYS  48           HZ1      LYS  48  10.685 -13.439  -5.143
  353    HZ2  LYS  48           HZ2      LYS  48  12.151 -14.096  -4.620
  354    HZ3  LYS  48           HZ3      LYS  48  11.842 -12.449  -4.409
  355    H    LEU  49           H        LEU  49   5.422 -14.308  -5.126
  356    HA   LEU  49           HA       LEU  49   3.790 -14.835  -3.056
  357    HB2  LEU  49           HB2      LEU  49   3.191 -15.542  -5.899
  358    HB3  LEU  49           HB3      LEU  49   2.041 -15.397  -4.579
  359    HG   LEU  49           HG       LEU  49   3.766 -13.134  -5.574
  360   HD11  LEU  49          HD11      LEU  49   1.701 -12.242  -6.497
  361   HD12  LEU  49          HD12      LEU  49   0.845 -13.706  -6.008
  362   HD13  LEU  49          HD13      LEU  49   2.111 -13.792  -7.233
  363   HD21  LEU  49          HD21      LEU  49   2.195 -11.797  -4.193
  364   HD22  LEU  49          HD22      LEU  49   3.213 -12.888  -3.255
  365   HD23  LEU  49          HD23      LEU  49   1.529 -13.303  -3.566
  366    HA   PRO  50           HA       PRO  50   4.525 -19.217  -2.465
  367    HB2  PRO  50           HB2      PRO  50   3.965 -19.115   0.187
  368    HB3  PRO  50           HB3      PRO  50   5.522 -18.627  -0.481
  369    HG2  PRO  50           HG2      PRO  50   3.309 -16.960   0.559
  370    HG3  PRO  50           HG3      PRO  50   5.042 -16.612   0.485
  371    HD2  PRO  50           HD2      PRO  50   3.033 -15.663  -1.290
  372    HD3  PRO  50           HD3      PRO  50   4.796 -15.498  -1.483
  373    H    ASP  51           H        ASP  51   2.152 -18.287  -0.072
  374    HA   ASP  51           HA       ASP  51   0.001 -19.426  -1.728
  375    HB2  ASP  51           HB2      ASP  51   0.448 -19.629   1.252
  376    HB3  ASP  51           HB3      ASP  51  -1.140 -19.876   0.533
  377    H    GLY  52           H        GLY  52   1.065 -16.748  -1.581
  378    HA2  GLY  52           HA2      GLY  52   0.003 -14.680  -1.799
  379    HA3  GLY  52           HA3      GLY  52  -1.389 -15.331  -0.946
  380    H    THR  53           H        THR  53   1.553 -13.589  -0.680
  381    HA   THR  53           HA       THR  53   1.999 -13.602   2.088
  382    HB   THR  53           HB       THR  53   2.306 -11.405   0.064
  383    HG1  THR  53           HG1      THR  53   4.565 -12.065   0.205
  384   HG21  THR  53          HG21      THR  53   3.970 -10.457   1.701
  385   HG22  THR  53          HG22      THR  53   3.308 -11.572   2.898
  386   HG23  THR  53          HG23      THR  53   2.275 -10.331   2.179
  387    H    ILE  54           H        ILE  54   0.042 -11.528   0.030
  388    HA   ILE  54           HA       ILE  54  -0.942  -9.814   1.967
  389    HB   ILE  54           HB       ILE  54  -1.662 -10.520  -0.797
  390   HG12  ILE  54          HG12      ILE  54  -1.593  -8.039  -1.005
  391   HG13  ILE  54          HG13      ILE  54  -1.321  -7.933   0.730
  392   HG21  ILE  54          HG21      ILE  54  -3.860 -10.663   0.251
  393   HG22  ILE  54          HG22      ILE  54  -3.737  -9.257  -0.804
  394   HG23  ILE  54          HG23      ILE  54  -3.636  -9.059   0.945
  395   HD11  ILE  54          HD11      ILE  54   0.523  -9.150  -1.309
  396   HD12  ILE  54          HD12      ILE  54   0.778  -9.204   0.437
  397   HD13  ILE  54          HD13      ILE  54   0.754  -7.651  -0.405
  398    H    THR  55           H        THR  55  -1.787 -13.038   1.188
  399    HA   THR  55           HA       THR  55  -4.331 -13.186   2.368
  400    HB   THR  55           HB       THR  55  -2.251 -15.325   2.085
  401    HG1  THR  55           HG1      THR  55  -4.030 -14.131   0.347
  402   HG21  THR  55          HG21      THR  55  -5.231 -15.595   2.501
  403   HG22  THR  55          HG22      THR  55  -4.029 -15.797   3.776
  404   HG23  THR  55          HG23      THR  55  -4.055 -16.909   2.399
  405    H    SER  56           H        SER  56  -1.087 -13.426   3.736
  406    HA   SER  56           HA       SER  56  -2.091 -14.077   6.346
  407    HB2  SER  56           HB2      SER  56   0.124 -14.897   5.659
  408    HB3  SER  56           HB3      SER  56   0.674 -13.239   5.440
  409    HG   SER  56           HG       SER  56  -0.314 -14.187   7.921
  410    H    LEU  57           H        LEU  57  -1.365 -11.354   4.469
  411    HA   LEU  57           HA       LEU  57  -1.144  -9.401   6.513
  412    HB2  LEU  57           HB2      LEU  57  -1.461  -9.406   3.618
  413    HB3  LEU  57           HB3      LEU  57  -1.919  -7.942   4.443
  414    HG   LEU  57           HG       LEU  57   0.295  -7.680   5.332
  415   HD11  LEU  57          HD11      LEU  57   0.964 -10.295   3.995
  416   HD12  LEU  57          HD12      LEU  57   0.847 -10.015   5.733
  417   HD13  LEU  57          HD13      LEU  57   2.112  -9.222   4.795
  418   HD21  LEU  57          HD21      LEU  57   0.549  -8.434   2.427
  419   HD22  LEU  57          HD22      LEU  57   1.505  -7.248   3.316
  420   HD23  LEU  57          HD23      LEU  57  -0.204  -6.937   2.991
  421    H    VAL  58           H        VAL  58  -3.822 -10.800   4.719
  422    HA   VAL  58           HA       VAL  58  -5.743  -8.914   5.684
  423    HB   VAL  58           HB       VAL  58  -6.114 -10.310   3.637
  424   HG11  VAL  58          HG11      VAL  58  -5.328 -12.440   4.268
  425   HG12  VAL  58          HG12      VAL  58  -7.080 -12.606   4.084
  426   HG13  VAL  58          HG13      VAL  58  -6.369 -12.479   5.703
  427   HG21  VAL  58          HG21      VAL  58  -7.945  -9.153   4.816
  428   HG22  VAL  58          HG22      VAL  58  -8.241 -10.620   5.750
  429   HG23  VAL  58          HG23      VAL  58  -8.479 -10.625   4.002
  430    H    GLN  59           H        GLN  59  -4.411 -11.934   6.797
  431    HA   GLN  59           HA       GLN  59  -6.291 -12.359   8.874
  432    HB2  GLN  59           HB2      GLN  59  -3.446 -13.330   8.860
  433    HB3  GLN  59           HB3      GLN  59  -4.859 -14.116   9.555
  434    HG2  GLN  59           HG2      GLN  59  -4.787 -13.586   6.652
  435    HG3  GLN  59           HG3      GLN  59  -3.842 -14.917   7.273
  436   HE21  GLN  59          HE21      GLN  59  -5.981 -15.055   5.456
  437   HE22  GLN  59          HE22      GLN  59  -7.268 -15.953   6.185
  438    H    ASN  60           H        ASN  60  -3.401 -10.690   8.379
  439    HA   ASN  60           HA       ASN  60  -2.785  -9.885  11.025
  440    HB2  ASN  60           HB2      ASN  60  -1.694  -9.651   8.336
  441    HB3  ASN  60           HB3      ASN  60  -1.492  -8.192   9.270
  442   HD21  ASN  60          HD21      ASN  60  -0.726 -11.550   9.022
  443   HD22  ASN  60          HD22      ASN  60   0.587 -11.542  10.150
  444    HA   PRO  61           HA       PRO  61  -4.804  -5.961  11.848
  445    HB2  PRO  61           HB2      PRO  61  -2.254  -4.746  10.816
  446    HB3  PRO  61           HB3      PRO  61  -3.235  -4.263  12.202
  447    HG2  PRO  61           HG2      PRO  61  -1.054  -5.742  12.542
  448    HG3  PRO  61           HG3      PRO  61  -2.513  -6.031  13.506
  449    HD2  PRO  61           HD2      PRO  61  -1.336  -7.662  11.353
  450    HD3  PRO  61           HD3      PRO  61  -2.444  -8.136  12.652
  451    HA   PRO  62           HA       PRO  62  -7.159  -4.085   8.804
  452    HB2  PRO  62           HB2      PRO  62  -5.606  -1.579   9.133
  453    HB3  PRO  62           HB3      PRO  62  -7.352  -1.801   9.022
  454    HG2  PRO  62           HG2      PRO  62  -6.214  -1.477  11.383
  455    HG3  PRO  62           HG3      PRO  62  -7.507  -2.671  11.169
  456    HD2  PRO  62           HD2      PRO  62  -4.598  -3.081  11.540
  457    HD3  PRO  62           HD3      PRO  62  -5.953  -4.139  11.973
  458    H    GLN  63           H        GLN  63  -3.815  -4.077   8.008
  459    HA   GLN  63           HA       GLN  63  -3.503  -2.455   5.850
  460    HB2  GLN  63           HB2      GLN  63  -1.772  -3.959   6.861
  461    HB3  GLN  63           HB3      GLN  63  -2.419  -5.246   5.844
  462    HG2  GLN  63           HG2      GLN  63  -2.087  -3.681   3.903
  463    HG3  GLN  63           HG3      GLN  63  -1.132  -2.691   4.999
  464   HE21  GLN  63          HE21      GLN  63  -0.574  -4.243   2.587
  465   HE22  GLN  63          HE22      GLN  63   0.772  -5.227   2.982
  466    H    LEU  64           H        LEU  64  -5.446  -5.335   5.845
  467    HA   LEU  64           HA       LEU  64  -5.566  -6.100   3.233
  468    HB2  LEU  64           HB2      LEU  64  -6.814  -7.330   4.746
  469    HB3  LEU  64           HB3      LEU  64  -7.638  -5.917   5.375
  470    HG   LEU  64           HG       LEU  64  -8.675  -5.723   3.061
  471   HD11  LEU  64          HD11      LEU  64  -8.912  -7.849   1.835
  472   HD12  LEU  64          HD12      LEU  64  -7.722  -8.574   2.916
  473   HD13  LEU  64          HD13      LEU  64  -7.257  -7.242   1.857
  474   HD21  LEU  64          HD21      LEU  64 -10.526  -7.058   3.654
  475   HD22  LEU  64          HD22      LEU  64  -9.825  -6.463   5.167
  476   HD23  LEU  64          HD23      LEU  64  -9.532  -8.125   4.648
  477    H    GLY  65           H        GLY  65  -7.330  -3.465   4.757
  478    HA2  GLY  65           HA2      GLY  65  -9.114  -2.789   2.778
  479    HA3  GLY  65           HA3      GLY  65  -8.436  -1.643   3.905
  480    H    ARG  66           H        ARG  66  -5.764  -1.764   3.025
  481    HA   ARG  66           HA       ARG  66  -5.973   0.067   0.844
  482    HB2  ARG  66           HB2      ARG  66  -4.173   0.851   1.888
  483    HB3  ARG  66           HB3      ARG  66  -4.052  -0.608   2.857
  484    HG2  ARG  66           HG2      ARG  66  -3.128  -0.970   0.121
  485    HG3  ARG  66           HG3      ARG  66  -2.202   0.225   1.027
  486    HD2  ARG  66           HD2      ARG  66  -2.889  -2.408   2.256
  487    HD3  ARG  66           HD3      ARG  66  -1.527  -2.302   1.139
  488    HE   ARG  66           HE       ARG  66  -1.775  -0.979   3.762
  489   HH11  ARG  66          HH11      ARG  66   0.148  -1.718   0.916
  490   HH12  ARG  66          HH12      ARG  66   1.656  -1.331   1.668
  491   HH21  ARG  66          HH21      ARG  66   0.229  -0.465   4.752
  492   HH22  ARG  66          HH22      ARG  66   1.700  -0.621   3.850
  493    H    ILE  67           H        ILE  67  -4.916  -3.221   1.309
  494    HA   ILE  67           HA       ILE  67  -3.585  -3.694  -1.074
  495    HB   ILE  67           HB       ILE  67  -5.322  -5.607   0.475
  496   HG12  ILE  67          HG12      ILE  67  -2.403  -4.898   0.818
  497   HG13  ILE  67          HG13      ILE  67  -3.701  -4.420   1.897
  498   HG21  ILE  67          HG21      ILE  67  -2.990  -6.077  -1.371
  499   HG22  ILE  67          HG22      ILE  67  -4.686  -6.443  -1.706
  500   HG23  ILE  67          HG23      ILE  67  -3.826  -7.314  -0.434
  501   HD11  ILE  67          HD11      ILE  67  -4.100  -6.709   2.510
  502   HD12  ILE  67          HD12      ILE  67  -2.404  -6.307   2.757
  503   HD13  ILE  67          HD13      ILE  67  -2.893  -7.257   1.357
  504    H    LEU  68           H        LEU  68  -7.022  -4.014  -0.302
  505    HA   LEU  68           HA       LEU  68  -7.943  -5.301  -2.523
  506    HB2  LEU  68           HB2      LEU  68  -9.228  -3.156  -0.883
  507    HB3  LEU  68           HB3      LEU  68 -10.068  -3.875  -2.236
  508    HG   LEU  68           HG       LEU  68 -10.881  -5.276  -0.712
  509   HD11  LEU  68          HD11      LEU  68  -9.397  -6.745  -1.925
  510   HD12  LEU  68          HD12      LEU  68  -9.536  -7.252  -0.242
  511   HD13  LEU  68          HD13      LEU  68  -8.096  -6.392  -0.789
  512   HD21  LEU  68          HD21      LEU  68 -10.053  -5.549   1.536
  513   HD22  LEU  68          HD22      LEU  68 -10.040  -3.835   1.098
  514   HD23  LEU  68          HD23      LEU  68  -8.534  -4.755   1.092
  515    H    LYS  69           H        LYS  69  -7.753  -1.725  -2.230
  516    HA   LYS  69           HA       LYS  69  -8.763  -1.537  -4.930
  517    HB2  LYS  69           HB2      LYS  69  -9.510  -0.003  -3.108
  518    HB3  LYS  69           HB3      LYS  69  -7.897   0.700  -3.095
  519    HG2  LYS  69           HG2      LYS  69  -8.227   1.266  -5.513
  520    HG3  LYS  69           HG3      LYS  69  -9.904   0.758  -5.333
  521    HD2  LYS  69           HD2      LYS  69  -9.744   3.164  -5.116
  522    HD3  LYS  69           HD3      LYS  69 -10.206   2.454  -3.570
  523    HE2  LYS  69           HE2      LYS  69  -8.159   2.903  -2.602
  524    HE3  LYS  69           HE3      LYS  69  -7.319   2.961  -4.148
  525    HZ1  LYS  69           HZ1      LYS  69  -7.485   5.162  -3.279
  526    HZ2  LYS  69           HZ2      LYS  69  -9.151   5.019  -3.045
  527    HZ3  LYS  69           HZ3      LYS  69  -8.517   5.056  -4.610
  528    H    TYR  70           H        TYR  70  -5.875  -0.053  -3.355
  529    HA   TYR  70           HA       TYR  70  -4.613  -0.255  -5.998
  530    HB2  TYR  70           HB2      TYR  70  -5.094   2.148  -4.412
  531    HB3  TYR  70           HB3      TYR  70  -3.440   1.995  -4.992
  532    HD1  TYR  70           HD1      TYR  70  -2.992   1.857  -7.426
  533    HD2  TYR  70           HD2      TYR  70  -6.889   2.639  -5.920
  534    HE1  TYR  70           HE1      TYR  70  -3.675   2.687  -9.636
  535    HE2  TYR  70           HE2      TYR  70  -7.585   3.466  -8.123
  536    HH   TYR  70           HH       TYR  70  -5.669   3.038 -10.938
  537    H    HIS  71           H        HIS  71  -4.234  -0.967  -2.705
  538    HA   HIS  71           HA       HIS  71  -2.498  -1.806  -1.487
  539    HB2  HIS  71           HB2      HIS  71  -2.057  -3.136  -3.566
  540    HB3  HIS  71           HB3      HIS  71  -0.995  -1.855  -4.123
  541    HD1  HIS  71           HD1      HIS  71   1.271  -2.816  -4.029
  542    HD2  HIS  71           HD2      HIS  71  -0.934  -3.720  -0.622
  543    HE1  HIS  71           HE1      HIS  71   2.848  -4.055  -2.512
  544    HE2  HIS  71           HE2      HIS  71   1.422  -4.797  -0.576
  545    H    VAL  72           H        VAL  72  -2.967   0.845  -1.397
  546    HA   VAL  72           HA       VAL  72  -0.413   2.242  -1.858
  547    HB   VAL  72           HB       VAL  72  -2.119   2.812  -3.547
  548   HG11  VAL  72          HG11      VAL  72  -4.133   4.055  -2.886
  549   HG12  VAL  72          HG12      VAL  72  -3.731   3.789  -1.190
  550   HG13  VAL  72          HG13      VAL  72  -4.123   2.419  -2.229
  551   HG21  VAL  72          HG21      VAL  72  -0.504   4.509  -2.988
  552   HG22  VAL  72          HG22      VAL  72  -1.475   5.030  -1.612
  553   HG23  VAL  72          HG23      VAL  72  -2.074   5.271  -3.254
  554    H    VAL  73           H        VAL  73  -0.015   4.093  -0.568
  555    HA   VAL  73           HA       VAL  73  -1.722   4.471   1.789
  556    HB   VAL  73           HB       VAL  73   0.192   3.461   2.762
  557   HG11  VAL  73          HG11      VAL  73   1.634   3.665   0.708
  558   HG12  VAL  73          HG12      VAL  73   2.465   3.948   2.240
  559   HG13  VAL  73          HG13      VAL  73   2.003   5.314   1.228
  560   HG21  VAL  73          HG21      VAL  73  -0.529   5.561   3.822
  561   HG22  VAL  73          HG22      VAL  73   0.709   6.416   2.886
  562   HG23  VAL  73          HG23      VAL  73   1.180   5.201   4.077
  563    H    ALA  74           H        ALA  74  -2.412   6.514   1.989
  564    HA   ALA  74           HA       ALA  74  -1.760   8.503   0.049
  565    HB1  ALA  74           HB1      ALA  74  -3.941   8.472   1.072
  566    HB2  ALA  74           HB2      ALA  74  -3.128   9.984   1.491
  567    HB3  ALA  74           HB3      ALA  74  -3.229   8.675   2.676
  568    H    GLY  75           H        GLY  75  -0.533  10.248   0.159
  569    HA2  GLY  75           HA2      GLY  75   0.743  11.850   1.514
  570    HA3  GLY  75           HA3      GLY  75   1.176  10.497   2.551
  571    H    ALA  76           H        ALA  76   1.873  12.195  -0.315
  572    HA   ALA  76           HA       ALA  76   3.456  10.401  -1.724
  573    HB1  ALA  76           HB1      ALA  76   4.361  12.338  -2.858
  574    HB2  ALA  76           HB2      ALA  76   3.769  13.394  -1.575
  575    HB3  ALA  76           HB3      ALA  76   2.627  12.540  -2.611
  576    H    TYR  77           H        TYR  77   4.948   9.265  -0.639
  577    HA   TYR  77           HA       TYR  77   7.104  10.816   0.676
  578    HB2  TYR  77           HB2      TYR  77   6.828   7.900   1.250
  579    HB3  TYR  77           HB3      TYR  77   7.504   9.184   2.240
  580    HD1  TYR  77           HD1      TYR  77   5.598  10.985   3.003
  581    HD2  TYR  77           HD2      TYR  77   4.938   6.904   1.994
  582    HE1  TYR  77           HE1      TYR  77   3.556  10.978   4.378
  583    HE2  TYR  77           HE2      TYR  77   2.888   6.884   3.348
  584    HH   TYR  77           HH       TYR  77   1.357   9.618   4.410
  585    H    LYS  78           H        LYS  78   8.868  10.910  -0.631
  586    HA   LYS  78           HA       LYS  78   9.565   8.909  -2.480
  587    HB2  LYS  78           HB2      LYS  78  11.021  11.155  -1.262
  588    HB3  LYS  78           HB3      LYS  78  11.524  10.219  -2.681
  589    HG2  LYS  78           HG2      LYS  78   9.351  10.730  -3.721
  590    HG3  LYS  78           HG3      LYS  78   9.025  11.822  -2.392
  591    HD2  LYS  78           HD2      LYS  78  10.059  13.309  -3.626
  592    HD3  LYS  78           HD3      LYS  78  11.453  12.422  -2.987
  593    HE2  LYS  78           HE2      LYS  78  11.474  10.962  -4.852
  594    HE3  LYS  78           HE3      LYS  78  10.008  11.697  -5.472
  595    HZ1  LYS  78           HZ1      LYS  78  12.613  13.103  -5.205
  596    HZ2  LYS  78           HZ2      LYS  78  11.201  13.743  -5.882
  597    HZ3  LYS  78           HZ3      LYS  78  12.007  12.470  -6.648
  598    H    ALA  79           H        ALA  79  11.715   7.743  -2.294
  599    HA   ALA  79           HA       ALA  79  11.728   6.062  -0.059
  600    HB1  ALA  79           HB1      ALA  79  12.683   5.405  -2.210
  601    HB2  ALA  79           HB2      ALA  79  13.852   5.205  -0.906
  602    HB3  ALA  79           HB3      ALA  79  13.979   6.582  -1.999
  603    H    THR  80           H        THR  80  13.204   9.132  -0.632
  604    HA   THR  80           HA       THR  80  15.227   8.918   1.372
  605    HB   THR  80           HB       THR  80  15.482  10.510  -0.452
  606    HG1  THR  80           HG1      THR  80  15.898  11.037   2.090
  607   HG21  THR  80          HG21      THR  80  14.133  12.558  -0.558
  608   HG22  THR  80          HG22      THR  80  13.122  11.954   0.754
  609   HG23  THR  80          HG23      THR  80  13.148  11.116  -0.798
  610    H    ASP  81           H        ASP  81  11.837   9.780   1.417
  611    HA   ASP  81           HA       ASP  81  11.959  11.067   3.994
  612    HB2  ASP  81           HB2      ASP  81  10.227  11.669   2.338
  613    HB3  ASP  81           HB3      ASP  81   9.585  10.032   2.416
  614    H    LEU  82           H        LEU  82  10.736   8.011   2.700
  615    HA   LEU  82           HA       LEU  82   9.931   6.788   5.019
  616    HB2  LEU  82           HB2      LEU  82  11.123   5.691   2.483
  617    HB3  LEU  82           HB3      LEU  82  10.429   4.665   3.728
  618    HG   LEU  82           HG       LEU  82   8.474   4.904   2.704
  619   HD11  LEU  82          HD11      LEU  82   8.626   7.834   3.270
  620   HD12  LEU  82          HD12      LEU  82   8.133   6.614   4.437
  621   HD13  LEU  82          HD13      LEU  82   7.172   6.881   2.986
  622   HD21  LEU  82          HD21      LEU  82   9.662   7.108   1.075
  623   HD22  LEU  82          HD22      LEU  82   8.141   6.278   0.746
  624   HD23  LEU  82          HD23      LEU  82   9.665   5.394   0.663
  625    H    LYS  83           H        LYS  83  13.122   6.525   3.475
  626    HA   LYS  83           HA       LYS  83  14.213   4.894   5.507
  627    HB2  LYS  83           HB2      LYS  83  15.096   5.064   3.202
  628    HB3  LYS  83           HB3      LYS  83  15.648   6.693   3.578
  629    HG2  LYS  83           HG2      LYS  83  17.146   5.839   5.262
  630    HG3  LYS  83           HG3      LYS  83  16.549   4.197   4.989
  631    HD2  LYS  83           HD2      LYS  83  17.412   4.218   2.733
  632    HD3  LYS  83           HD3      LYS  83  17.905   5.905   2.902
  633    HE2  LYS  83           HE2      LYS  83  19.423   5.216   4.746
  634    HE3  LYS  83           HE3      LYS  83  19.005   3.537   4.408
  635    HZ1  LYS  83           HZ1      LYS  83  20.265   5.404   2.474
  636    HZ2  LYS  83           HZ2      LYS  83  19.919   3.774   2.200
  637    HZ3  LYS  83           HZ3      LYS  83  21.082   4.210   3.347
  638    H    ARG  84           H        ARG  84  14.105   8.380   5.043
  639    HA   ARG  84           HA       ARG  84  15.873   9.255   6.967
  640    HB2  ARG  84           HB2      ARG  84  13.863  10.338   5.376
  641    HB3  ARG  84           HB3      ARG  84  13.425  10.760   7.017
  642    HG2  ARG  84           HG2      ARG  84  15.169  12.169   7.276
  643    HG3  ARG  84           HG3      ARG  84  16.247  11.171   6.295
  644    HD2  ARG  84           HD2      ARG  84  15.071  11.900   4.292
  645    HD3  ARG  84           HD3      ARG  84  14.045  12.949   5.270
  646    HE   ARG  84           HE       ARG  84  16.706  13.614   5.797
  647   HH11  ARG  84          HH11      ARG  84  14.417  13.732   3.153
  648   HH12  ARG  84          HH12      ARG  84  15.185  15.077   2.373
  649   HH21  ARG  84          HH21      ARG  84  17.708  15.412   4.788
  650   HH22  ARG  84          HH22      ARG  84  17.056  16.039   3.309
  651    H    MET  85           H        MET  85  12.545   8.212   7.231
  652    HA   MET  85           HA       MET  85  12.429   8.542  10.092
  653    HB2  MET  85           HB2      MET  85  10.571   7.114   8.191
  654    HB3  MET  85           HB3      MET  85  10.247   7.388   9.893
  655    HG2  MET  85           HG2      MET  85  10.267   9.779   9.518
  656    HG3  MET  85           HG3      MET  85  10.636   9.520   7.817
  657    HE1  MET  85           HE1      MET  85   8.039   8.867  10.672
  658    HE2  MET  85           HE2      MET  85   8.188   7.268   9.943
  659    HE3  MET  85           HE3      MET  85   6.684   8.173   9.787
  660    H    GLY  86           H        GLY  86  12.887   5.877   7.819
  661    HA2  GLY  86           HA2      GLY  86  13.832   3.779   8.263
  662    HA3  GLY  86           HA3      GLY  86  13.864   4.183   9.973
  663    H    ILE  87           H        ILE  87  10.901   4.836   8.599
  664    HA   ILE  87           HA       ILE  87   9.659   2.305   8.735
  665    HB   ILE  87           HB       ILE  87   9.997   3.237  11.212
  666   HG12  ILE  87          HG12      ILE  87   7.241   2.263  10.503
  667   HG13  ILE  87          HG13      ILE  87   8.627   1.207  10.313
  668   HG21  ILE  87          HG21      ILE  87   8.003   4.492  11.925
  669   HG22  ILE  87          HG22      ILE  87   7.510   4.596  10.231
  670   HG23  ILE  87          HG23      ILE  87   8.993   5.390  10.769
  671   HD11  ILE  87          HD11      ILE  87   9.131   1.509  12.705
  672   HD12  ILE  87          HD12      ILE  87   7.558   0.774  12.406
  673   HD13  ILE  87          HD13      ILE  87   7.663   2.477  12.855
  674    H    VAL  88           H        VAL  88   7.450   2.469   8.144
  675    HA   VAL  88           HA       VAL  88   6.650   5.057   7.000
  676    HB   VAL  88           HB       VAL  88   5.643   3.704   5.108
  677   HG11  VAL  88          HG11      VAL  88   7.547   4.912   4.553
  678   HG12  VAL  88          HG12      VAL  88   7.955   3.266   4.068
  679   HG13  VAL  88          HG13      VAL  88   8.591   3.932   5.582
  680   HG21  VAL  88          HG21      VAL  88   7.483   1.584   6.233
  681   HG22  VAL  88          HG22      VAL  88   6.612   1.494   4.691
  682   HG23  VAL  88          HG23      VAL  88   5.713   1.523   6.209
  683    H    THR  89           H        THR  89   4.482   5.566   7.268
  684    HA   THR  89           HA       THR  89   2.912   3.528   8.677
  685    HB   THR  89           HB       THR  89   2.127   6.425   8.621
  686    HG1  THR  89           HG1      THR  89   3.194   6.156  10.897
  687   HG21  THR  89          HG21      THR  89   1.587   4.097  10.492
  688   HG22  THR  89          HG22      THR  89   0.446   4.793   9.329
  689   HG23  THR  89          HG23      THR  89   0.985   5.746  10.717
  690    H    SER  90           H        SER  90   1.246   2.705   7.815
  691    HA   SER  90           HA       SER  90   0.565   3.156   5.105
  692    HB2  SER  90           HB2      SER  90  -0.649   1.452   7.303
  693    HB3  SER  90           HB3      SER  90  -1.056   1.323   5.578
  694    HG   SER  90           HG       SER  90   1.437   0.830   6.847
  695    H    LEU  91           H        LEU  91  -1.751   3.491   4.385
  696    HA   LEU  91           HA       LEU  91  -2.929   5.825   5.324
  697    HB2  LEU  91           HB2      LEU  91  -3.308   4.413   3.144
  698    HB3  LEU  91           HB3      LEU  91  -4.582   3.646   4.077
  699    HG   LEU  91           HG       LEU  91  -5.848   5.576   4.203
  700   HD11  LEU  91          HD11      LEU  91  -4.380   7.178   5.014
  701   HD12  LEU  91          HD12      LEU  91  -4.828   7.781   3.413
  702   HD13  LEU  91          HD13      LEU  91  -3.275   6.971   3.656
  703   HD21  LEU  91          HD21      LEU  91  -5.944   6.476   1.929
  704   HD22  LEU  91          HD22      LEU  91  -5.842   4.713   1.953
  705   HD23  LEU  91          HD23      LEU  91  -4.416   5.677   1.563
  706    H    GLU  92           H        GLU  92  -3.377   2.485   6.121
  707    HA   GLU  92           HA       GLU  92  -5.648   2.795   7.840
  708    HB2  GLU  92           HB2      GLU  92  -5.049   0.408   8.474
  709    HB3  GLU  92           HB3      GLU  92  -5.435   0.693   6.775
  710    HG2  GLU  92           HG2      GLU  92  -2.587   0.768   7.647
  711    HG3  GLU  92           HG3      GLU  92  -3.384  -0.790   7.493
  712    H    GLY  93           H        GLY  93  -2.379   3.364   8.132
  713    HA2  GLY  93           HA2      GLY  93  -1.450   4.482   9.994
  714    HA3  GLY  93           HA3      GLY  93  -2.644   3.715  11.022
  715    H    SER  94           H        SER  94  -1.393   1.415   8.944
  716    HA   SER  94           HA       SER  94   0.062   0.196  11.027
  717    HB2  SER  94           HB2      SER  94  -0.306  -0.536   8.129
  718    HB3  SER  94           HB3      SER  94   0.403  -1.573   9.351
  719    HG   SER  94           HG       SER  94  -1.638  -1.288  10.519
  720    H    THR  95           H        THR  95   2.103   0.680  11.550
  721    HA   THR  95           HA       THR  95   3.876   1.920   9.653
  722    HB   THR  95           HB       THR  95   5.361   1.240  11.907
  723    HG1  THR  95           HG1      THR  95   3.577   2.345  13.387
  724   HG21  THR  95          HG21      THR  95   5.395   3.363  10.662
  725   HG22  THR  95          HG22      THR  95   5.228   3.620  12.400
  726   HG23  THR  95          HG23      THR  95   3.821   3.777  11.346
  727    H    ILE  96           H        ILE  96   5.495   1.069   8.586
  728    HA   ILE  96           HA       ILE  96   6.255  -1.749   9.010
  729    HB   ILE  96           HB       ILE  96   5.750  -0.283   6.420
  730   HG12  ILE  96          HG12      ILE  96   4.635  -2.304   5.727
  731   HG13  ILE  96          HG13      ILE  96   5.195  -3.152   7.156
  732   HG21  ILE  96          HG21      ILE  96   7.073  -1.767   5.168
  733   HG22  ILE  96          HG22      ILE  96   7.337  -2.806   6.565
  734   HG23  ILE  96          HG23      ILE  96   8.104  -1.216   6.494
  735   HD11  ILE  96          HD11      ILE  96   3.209  -0.886   7.082
  736   HD12  ILE  96          HD12      ILE  96   3.757  -1.720   8.536
  737   HD13  ILE  96          HD13      ILE  96   2.838  -2.595   7.313
  738    HA   PRO  97           HA       PRO  97  10.085   0.418   9.709
  739    HB2  PRO  97           HB2      PRO  97  11.543  -2.070   9.758
  740    HB3  PRO  97           HB3      PRO  97  11.079  -1.042  11.112
  741    HG2  PRO  97           HG2      PRO  97  10.047  -3.550  10.595
  742    HG3  PRO  97           HG3      PRO  97   9.272  -2.318  11.605
  743    HD2  PRO  97           HD2      PRO  97   8.666  -3.156   8.820
  744    HD3  PRO  97           HD3      PRO  97   7.584  -2.537  10.083
  745    H    ILE  98           H        ILE  98  11.370   1.342   8.406
  746    HA   ILE  98           HA       ILE  98  11.975   0.169   5.823
  747    HB   ILE  98           HB       ILE  98  12.317   2.948   6.929
  748   HG12  ILE  98          HG12      ILE  98  10.021   2.328   6.408
  749   HG13  ILE  98          HG13      ILE  98  10.613   3.507   5.242
  750   HG21  ILE  98          HG21      ILE  98  13.074   1.880   4.220
  751   HG22  ILE  98          HG22      ILE  98  14.148   2.580   5.433
  752   HG23  ILE  98          HG23      ILE  98  12.955   3.591   4.619
  753   HD11  ILE  98          HD11      ILE  98  10.533   0.545   4.759
  754   HD12  ILE  98          HD12      ILE  98  10.904   1.809   3.585
  755   HD13  ILE  98          HD13      ILE  98   9.273   1.676   4.265
  756    H    HIS  99           H        HIS  99  13.836  -0.510   5.238
  757    HA   HIS  99           HA       HIS  99  16.228   0.180   6.792
  758    HB2  HIS  99           HB2      HIS  99  15.632  -2.455   5.468
  759    HB3  HIS  99           HB3      HIS  99  17.184  -2.023   6.146
  760    HD1  HIS  99           HD1      HIS  99  17.510  -2.393   8.607
  761    HD2  HIS  99           HD2      HIS  99  13.537  -2.767   7.441
  762    HE1  HIS  99           HE1      HIS  99  16.293  -3.281  10.620
  763    HE2  HIS  99           HE2      HIS  99  13.923  -3.631   9.850
  764    H    GLY 100           H        GLY 100  18.187  -0.574   5.127
  765    HA2  GLY 100           HA2      GLY 100  18.023  -0.231   2.455
  766    HA3  GLY 100           HA3      GLY 100  17.854   1.404   3.051
  767    H    ASP 101           H        ASP 101  19.961  -1.222   2.500
  768    HA   ASP 101           HA       ASP 101  22.234   0.173   3.672
  769    HB2  ASP 101           HB2      ASP 101  22.041  -2.299   3.887
  770    HB3  ASP 101           HB3      ASP 101  22.189  -2.431   2.138
  771    H    ASN 102           H        ASN 102  21.335  -1.134   0.486
  772    HA   ASN 102           HA       ASN 102  22.774   1.140  -0.700
  773    HB2  ASN 102           HB2      ASN 102  23.927  -0.857  -1.343
  774    HB3  ASN 102           HB3      ASN 102  22.427  -1.655  -1.790
  775   HD21  ASN 102          HD21      ASN 102  24.819   0.684  -2.703
  776   HD22  ASN 102          HD22      ASN 102  24.326   0.840  -4.354
  777    HA   PRO 103           HA       PRO 103  18.494   1.085  -2.748
  778    HB2  PRO 103           HB2      PRO 103  16.937  -1.034  -2.839
  779    HB3  PRO 103           HB3      PRO 103  18.397  -1.008  -3.837
  780    HG2  PRO 103           HG2      PRO 103  17.947  -2.338  -1.195
  781    HG3  PRO 103           HG3      PRO 103  18.692  -3.000  -2.661
  782    HD2  PRO 103           HD2      PRO 103  20.093  -1.933  -0.564
  783    HD3  PRO 103           HD3      PRO 103  20.708  -2.043  -2.216
  784    H    LEU 104           H        LEU 104  16.151   1.241  -1.964
  785    HA   LEU 104           HA       LEU 104  15.986   1.473   0.884
  786    HB2  LEU 104           HB2      LEU 104  14.669   2.887  -0.748
  787    HB3  LEU 104           HB3      LEU 104  13.707   1.466  -1.074
  788    HG   LEU 104           HG       LEU 104  13.273   1.450   1.476
  789   HD11  LEU 104          HD11      LEU 104  14.923   3.135   2.073
  790   HD12  LEU 104          HD12      LEU 104  13.292   3.674   2.491
  791   HD13  LEU 104          HD13      LEU 104  14.096   4.318   1.058
  792   HD21  LEU 104          HD21      LEU 104  11.501   1.788  -0.020
  793   HD22  LEU 104          HD22      LEU 104  12.104   3.383  -0.492
  794   HD23  LEU 104          HD23      LEU 104  11.427   3.133   1.121
  795    H    GLU 105           H        GLU 105  14.541   0.221   2.232
  796    HA   GLU 105           HA       GLU 105  13.927  -2.443   1.185
  797    HB2  GLU 105           HB2      GLU 105  15.510  -1.936   3.712
  798    HB3  GLU 105           HB3      GLU 105  14.947  -3.509   3.164
  799    HG2  GLU 105           HG2      GLU 105  16.347  -3.217   1.130
  800    HG3  GLU 105           HG3      GLU 105  16.980  -1.737   1.828
  801    H    VAL 106           H        VAL 106  11.853  -2.652   1.514
  802    HA   VAL 106           HA       VAL 106  10.640  -1.334   3.837
  803    HB   VAL 106           HB       VAL 106   9.508  -0.426   2.067
  804   HG11  VAL 106          HG11      VAL 106  10.756  -1.459   0.323
  805   HG12  VAL 106          HG12      VAL 106   9.035  -1.620  -0.051
  806   HG13  VAL 106          HG13      VAL 106   9.929  -3.003   0.587
  807   HG21  VAL 106          HG21      VAL 106   8.046  -2.975   2.657
  808   HG22  VAL 106          HG22      VAL 106   7.426  -1.816   1.479
  809   HG23  VAL 106          HG23      VAL 106   7.663  -1.324   3.167
  810    H    LYS 107           H        LYS 107  10.412  -2.661   5.486
  811    HA   LYS 107           HA       LYS 107  10.585  -4.564   6.683
  812    HB2  LYS 107           HB2      LYS 107   8.637  -6.201   6.236
  813    HB3  LYS 107           HB3      LYS 107   8.296  -4.591   6.844
  814    HG2  LYS 107           HG2      LYS 107   7.459  -3.876   4.773
  815    HG3  LYS 107           HG3      LYS 107   8.168  -5.233   3.911
  816    HD2  LYS 107           HD2      LYS 107   5.594  -5.167   4.528
  817    HD3  LYS 107           HD3      LYS 107   6.503  -6.678   4.540
  818    HE2  LYS 107           HE2      LYS 107   6.864  -6.312   7.001
  819    HE3  LYS 107           HE3      LYS 107   5.749  -4.954   6.894
  820    HZ1  LYS 107           HZ1      LYS 107   4.022  -6.454   6.163
  821    HZ2  LYS 107           HZ2      LYS 107   4.657  -6.987   7.636
  822    HZ3  LYS 107           HZ3      LYS 107   5.092  -7.764   6.197
  823    H    ASN 108           H        ASN 108   9.182  -6.671   4.374
  824    HA   ASN 108           HA       ASN 108  11.594  -8.288   4.504
  825    HB2  ASN 108           HB2      ASN 108  10.172 -10.079   3.602
  826    HB3  ASN 108           HB3      ASN 108   9.430  -9.339   5.014
  827   HD21  ASN 108          HD21      ASN 108   8.198 -10.858   2.859
  828   HD22  ASN 108          HD22      ASN 108   7.013  -9.820   2.139
  829    H    ALA 109           H        ALA 109  10.409  -5.952   2.510
  830    HA   ALA 109           HA       ALA 109  11.289  -7.337   0.079
  831    HB1  ALA 109           HB1      ALA 109   8.968  -6.699   0.029
  832    HB2  ALA 109           HB2      ALA 109   9.879  -5.732  -1.141
  833    HB3  ALA 109           HB3      ALA 109   9.396  -5.016   0.399
  834    H    THR 110           H        THR 110  12.095  -5.856  -1.658
  835    HA   THR 110           HA       THR 110  13.999  -3.945  -0.574
  836    HB   THR 110           HB       THR 110  14.693  -5.876  -2.784
  837    HG1  THR 110           HG1      THR 110  14.623  -7.337  -1.221
  838   HG21  THR 110          HG21      THR 110  16.089  -3.883  -2.583
  839   HG22  THR 110          HG22      THR 110  16.999  -5.322  -2.121
  840   HG23  THR 110          HG23      THR 110  16.375  -4.237  -0.879
  841    H    VAL 111           H        VAL 111  14.176  -2.139  -1.797
  842    HA   VAL 111           HA       VAL 111  12.251  -1.877  -3.942
  843    HB   VAL 111           HB       VAL 111  13.917   0.066  -2.388
  844   HG11  VAL 111          HG11      VAL 111  14.003   0.806  -4.726
  845   HG12  VAL 111          HG12      VAL 111  13.029   1.890  -3.733
  846   HG13  VAL 111          HG13      VAL 111  12.243   0.732  -4.807
  847   HG21  VAL 111          HG21      VAL 111  11.708   1.006  -1.864
  848   HG22  VAL 111          HG22      VAL 111  11.852  -0.684  -1.385
  849   HG23  VAL 111          HG23      VAL 111  10.959  -0.253  -2.844
  850    H    LEU 112           H        LEU 112  12.656  -1.838  -6.021
  851    HA   LEU 112           HA       LEU 112  15.370  -2.064  -7.014
  852    HB2  LEU 112           HB2      LEU 112  12.672  -2.196  -8.360
  853    HB3  LEU 112           HB3      LEU 112  14.184  -2.282  -9.231
  854    HG   LEU 112           HG       LEU 112  14.713  -4.333  -7.809
  855   HD11  LEU 112          HD11      LEU 112  12.231  -5.311  -7.286
  856   HD12  LEU 112          HD12      LEU 112  12.054  -3.606  -6.853
  857   HD13  LEU 112          HD13      LEU 112  13.312  -4.583  -6.086
  858   HD21  LEU 112          HD21      LEU 112  14.097  -4.480 -10.157
  859   HD22  LEU 112          HD22      LEU 112  12.388  -4.409  -9.730
  860   HD23  LEU 112          HD23      LEU 112  13.361  -5.795  -9.242
  861    H    ALA 113           H        ALA 113  12.537  -0.002  -7.312
  862    HA   ALA 113           HA       ALA 113  14.205   2.274  -8.003
  863    HB1  ALA 113           HB1      ALA 113  11.933   1.317  -9.744
  864    HB2  ALA 113           HB2      ALA 113  13.644   1.337 -10.175
  865    HB3  ALA 113           HB3      ALA 113  12.779   2.855  -9.931
  866    H    ALA 114           H        ALA 114  13.587   3.814  -6.632
  867    HA   ALA 114           HA       ALA 114  10.732   4.203  -6.167
  868    HB1  ALA 114           HB1      ALA 114  11.368   4.767  -3.767
  869    HB2  ALA 114           HB2      ALA 114  12.898   3.952  -4.110
  870    HB3  ALA 114           HB3      ALA 114  11.376   3.060  -4.214
  871    H    ASP 115           H        ASP 115  10.804   6.351  -4.558
  872    HA   ASP 115           HA       ASP 115  10.836   8.608  -4.655
  873    HB2  ASP 115           HB2      ASP 115  13.407   8.194  -6.205
  874    HB3  ASP 115           HB3      ASP 115  12.834   9.736  -5.578
  875    H    ILE 116           H        ILE 116   9.617   6.866  -6.596
  876    HA   ILE 116           HA       ILE 116   9.749   8.171  -9.154
  877    HB   ILE 116           HB       ILE 116   7.811   6.047  -8.264
  878   HG12  ILE 116          HG12      ILE 116  10.598   5.697  -9.356
  879   HG13  ILE 116          HG13      ILE 116  10.012   5.186  -7.789
  880   HG21  ILE 116          HG21      ILE 116   7.295   7.215 -10.344
  881   HG22  ILE 116          HG22      ILE 116   7.691   5.517 -10.629
  882   HG23  ILE 116          HG23      ILE 116   8.882   6.771 -10.978
  883   HD11  ILE 116          HD11      ILE 116   9.109   4.089 -10.441
  884   HD12  ILE 116          HD12      ILE 116   8.538   3.571  -8.854
  885   HD13  ILE 116          HD13      ILE 116  10.220   3.310  -9.314
  886    H    GLU 117           H        GLU 117   8.620   9.981  -9.401
  887    HA   GLU 117           HA       GLU 117   6.461  10.741  -7.748
  888    HB2  GLU 117           HB2      GLU 117   7.115  11.804 -10.496
  889    HB3  GLU 117           HB3      GLU 117   6.122  12.584  -9.270
  890    HG2  GLU 117           HG2      GLU 117   8.119  12.661  -7.793
  891    HG3  GLU 117           HG3      GLU 117   9.076  12.037  -9.132
  892    H    ALA 118           H        ALA 118   4.660   9.661  -7.650
  893    HA   ALA 118           HA       ALA 118   3.596   8.220  -9.923
  894    HB1  ALA 118           HB1      ALA 118   3.482   7.789  -7.238
  895    HB2  ALA 118           HB2      ALA 118   2.439   7.019  -8.438
  896    HB3  ALA 118           HB3      ALA 118   1.879   8.451  -7.570
  897    H    GLU 119           H        GLU 119   1.047   8.343 -10.001
  898    HA   GLU 119           HA       GLU 119   0.211  10.583 -11.305
  899    HB2  GLU 119           HB2      GLU 119  -2.143   9.858 -10.432
  900    HB3  GLU 119           HB3      GLU 119  -1.238   8.787 -11.491
  901    HG2  GLU 119           HG2      GLU 119  -0.706   7.322  -9.764
  902    HG3  GLU 119           HG3      GLU 119  -1.042   8.514  -8.514
  903    H    ASN 120           H        ASN 120  -0.342   9.928  -7.841
  904    HA   ASN 120           HA       ASN 120  -0.806  12.807  -7.491
  905    HB2  ASN 120           HB2      ASN 120  -2.131  10.472  -6.134
  906    HB3  ASN 120           HB3      ASN 120  -2.188  12.097  -5.466
  907   HD21  ASN 120          HD21      ASN 120  -3.308   9.973  -7.966
  908   HD22  ASN 120          HD22      ASN 120  -4.502  11.047  -8.613
  909    H    GLY 121           H        GLY 121   1.290  10.290  -6.784
  910    HA2  GLY 121           HA2      GLY 121   2.518  11.838  -4.653
  911    HA3  GLY 121           HA3      GLY 121   1.945  10.257  -4.181
  912    H    ILE 122           H        ILE 122   3.235   8.640  -4.413
  913    HA   ILE 122           HA       ILE 122   5.602   8.811  -6.097
  914    HB   ILE 122           HB       ILE 122   5.610   8.503  -3.111
  915   HG12  ILE 122          HG12      ILE 122   5.611  10.807  -3.945
  916   HG13  ILE 122          HG13      ILE 122   7.146  10.413  -3.169
  917   HG21  ILE 122          HG21      ILE 122   7.951   8.010  -3.192
  918   HG22  ILE 122          HG22      ILE 122   7.970   8.186  -4.945
  919   HG23  ILE 122          HG23      ILE 122   7.091   6.846  -4.200
  920   HD11  ILE 122          HD11      ILE 122   7.633   9.732  -5.759
  921   HD12  ILE 122          HD12      ILE 122   8.059  11.276  -5.009
  922   HD13  ILE 122          HD13      ILE 122   6.565  11.131  -5.933
  923    H    ILE 123           H        ILE 123   6.517   6.865  -6.595
  924    HA   ILE 123           HA       ILE 123   5.095   4.437  -5.679
  925    HB   ILE 123           HB       ILE 123   6.318   4.982  -8.396
  926   HG12  ILE 123          HG12      ILE 123   3.483   4.338  -7.627
  927   HG13  ILE 123          HG13      ILE 123   4.082   5.977  -7.851
  928   HG21  ILE 123          HG21      ILE 123   6.745   2.670  -7.766
  929   HG22  ILE 123          HG22      ILE 123   5.513   2.745  -9.026
  930   HG23  ILE 123          HG23      ILE 123   5.045   2.450  -7.350
  931   HD11  ILE 123          HD11      ILE 123   4.672   5.369 -10.184
  932   HD12  ILE 123          HD12      ILE 123   2.947   5.316  -9.825
  933   HD13  ILE 123          HD13      ILE 123   3.874   3.817  -9.926
  934    H    HIS 124           H        HIS 124   6.309   2.633  -5.199
  935    HA   HIS 124           HA       HIS 124   9.216   2.789  -5.602
  936    HB2  HIS 124           HB2      HIS 124   8.357   1.445  -3.099
  937    HB3  HIS 124           HB3      HIS 124   9.834   2.306  -3.448
  938    HD1  HIS 124           HD1      HIS 124   6.788   2.565  -1.586
  939    HD2  HIS 124           HD2      HIS 124   9.398   5.254  -3.375
  940    HE1  HIS 124           HE1      HIS 124   6.358   4.765  -0.463
  941    HE2  HIS 124           HE2      HIS 124   7.826   6.415  -1.670
  942    H    VAL 125           H        VAL 125   9.766   1.101  -6.761
  943    HA   VAL 125           HA       VAL 125   8.075  -1.235  -6.940
  944    HB   VAL 125           HB       VAL 125  10.722  -0.578  -8.263
  945   HG11  VAL 125          HG11      VAL 125  10.109  -2.397  -9.847
  946   HG12  VAL 125          HG12      VAL 125   8.794  -2.844  -8.757
  947   HG13  VAL 125          HG13      VAL 125  10.470  -2.959  -8.217
  948   HG21  VAL 125          HG21      VAL 125   9.374  -0.123 -10.247
  949   HG22  VAL 125          HG22      VAL 125   8.931   0.935  -8.907
  950   HG23  VAL 125          HG23      VAL 125   7.904  -0.437  -9.325
  951    H    ILE 126           H        ILE 126   8.380  -3.110  -5.852
  952    HA   ILE 126           HA       ILE 126  10.936  -3.438  -4.427
  953    HB   ILE 126           HB       ILE 126   9.864  -4.489  -2.577
  954   HG12  ILE 126          HG12      ILE 126   7.819  -5.101  -4.278
  955   HG13  ILE 126          HG13      ILE 126   7.760  -5.288  -2.530
  956   HG21  ILE 126          HG21      ILE 126  10.090  -2.104  -2.436
  957   HG22  ILE 126          HG22      ILE 126   8.588  -2.599  -1.653
  958   HG23  ILE 126          HG23      ILE 126   8.548  -1.871  -3.266
  959   HD11  ILE 126          HD11      ILE 126   6.673  -3.154  -2.294
  960   HD12  ILE 126          HD12      ILE 126   5.776  -4.163  -3.435
  961   HD13  ILE 126          HD13      ILE 126   6.810  -2.860  -4.032
  962    H    ASP 127           H        ASP 127  11.329  -5.654  -3.795
  963    HA   ASP 127           HA       ASP 127  10.902  -7.293  -6.176
  964    HB2  ASP 127           HB2      ASP 127  13.181  -6.463  -5.821
  965    HB3  ASP 127           HB3      ASP 127  13.216  -7.194  -4.231
  966    H    THR 128           H        THR 128   9.373  -7.119  -3.564
  967    HA   THR 128           HA       THR 128   9.135  -9.939  -3.107
  968    HB   THR 128           HB       THR 128  10.164  -8.114  -0.960
  969    HG1  THR 128           HG1      THR 128  11.355  -9.822  -2.673
  970   HG21  THR 128          HG21      THR 128   9.182 -10.951  -0.750
  971   HG22  THR 128          HG22      THR 128   8.523  -9.509   0.053
  972   HG23  THR 128          HG23      THR 128  10.117 -10.119   0.498
  973    H    VAL 129           H        VAL 129   7.064 -10.389  -2.704
  974    HA   VAL 129           HA       VAL 129   5.183  -8.312  -2.036
  975    HB   VAL 129           HB       VAL 129   4.877 -11.273  -2.609
  976   HG11  VAL 129          HG11      VAL 129   2.679 -11.268  -2.117
  977   HG12  VAL 129          HG12      VAL 129   2.506  -9.520  -2.350
  978   HG13  VAL 129          HG13      VAL 129   3.265 -10.143  -0.885
  979   HG21  VAL 129          HG21      VAL 129   3.638 -10.465  -4.573
  980   HG22  VAL 129          HG22      VAL 129   5.297  -9.865  -4.553
  981   HG23  VAL 129          HG23      VAL 129   3.968  -8.801  -4.089
  Start of MODEL    6
    1    H1   MET   1           H1       MET   1 -17.667  14.091  -8.170
    2    H2   MET   1           H2       MET   1 -18.063  12.470  -7.931
    3    H3   MET   1           H3       MET   1 -16.518  13.025  -7.536
    4    HA   MET   1           HA       MET   1 -17.426  14.440  -5.818
    5    HB2  MET   1           HB2      MET   1 -19.629  14.799  -6.831
    6    HB3  MET   1           HB3      MET   1 -20.037  13.110  -6.572
    7    HG2  MET   1           HG2      MET   1 -21.077  14.548  -4.910
    8    HG3  MET   1           HG3      MET   1 -19.932  13.432  -4.168
    9    HE1  MET   1           HE1      MET   1 -20.008  14.952  -1.945
   10    HE2  MET   1           HE2      MET   1 -21.144  16.026  -2.759
   11    HE3  MET   1           HE3      MET   1 -19.719  16.691  -1.962
   12    H    ALA   2           H        ALA   2 -18.515  11.137  -6.557
   13    HA   ALA   2           HA       ALA   2 -17.994  10.294  -3.836
   14    HB1  ALA   2           HB1      ALA   2 -18.825   8.635  -6.216
   15    HB2  ALA   2           HB2      ALA   2 -19.937   9.405  -5.081
   16    HB3  ALA   2           HB3      ALA   2 -18.842   8.138  -4.523
   17    H    THR   3           H        THR   3 -15.944  10.019  -3.291
   18    HA   THR   3           HA       THR   3 -13.795   9.432  -4.977
   19    HB   THR   3           HB       THR   3 -14.086   8.756  -2.039
   20    HG1  THR   3           HG1      THR   3 -13.548  11.150  -3.423
   21   HG21  THR   3          HG21      THR   3 -11.586   9.330  -3.633
   22   HG22  THR   3          HG22      THR   3 -12.131   7.720  -3.164
   23   HG23  THR   3          HG23      THR   3 -11.681   8.890  -1.926
   24    H    ILE   4           H        ILE   4 -12.678   7.443  -5.370
   25    HA   ILE   4           HA       ILE   4 -14.101   5.274  -6.176
   26    HB   ILE   4           HB       ILE   4 -11.336   5.046  -4.974
   27   HG12  ILE   4          HG12      ILE   4 -10.911   5.196  -7.650
   28   HG13  ILE   4          HG13      ILE   4 -12.291   6.278  -7.491
   29   HG21  ILE   4          HG21      ILE   4 -12.740   3.389  -7.065
   30   HG22  ILE   4          HG22      ILE   4 -12.393   2.902  -5.406
   31   HG23  ILE   4          HG23      ILE   4 -11.069   3.180  -6.538
   32   HD11  ILE   4          HD11      ILE   4 -11.057   7.596  -5.840
   33   HD12  ILE   4          HD12      ILE   4 -10.198   7.497  -7.374
   34   HD13  ILE   4          HD13      ILE   4  -9.681   6.509  -6.009
   35    H    VAL   5           H        VAL   5 -12.619   5.693  -3.019
   36    HA   VAL   5           HA       VAL   5 -13.456   3.201  -1.951
   37    HB   VAL   5           HB       VAL   5 -11.530   4.166  -0.979
   38   HG11  VAL   5          HG11      VAL   5 -11.789   6.458  -1.593
   39   HG12  VAL   5          HG12      VAL   5 -11.566   6.371   0.156
   40   HG13  VAL   5          HG13      VAL   5 -13.179   6.627  -0.517
   41   HG21  VAL   5          HG21      VAL   5 -12.865   3.027   0.621
   42   HG22  VAL   5          HG22      VAL   5 -13.858   4.465   0.860
   43   HG23  VAL   5          HG23      VAL   5 -12.175   4.460   1.390
   44    H    ASP   6           H        ASP   6 -14.729   6.461  -1.873
   45    HA   ASP   6           HA       ASP   6 -16.638   6.265   0.122
   46    HB2  ASP   6           HB2      ASP   6 -16.037   8.339  -1.151
   47    HB3  ASP   6           HB3      ASP   6 -16.970   7.730  -2.502
   48    H    ILE   7           H        ILE   7 -16.849   5.594  -3.292
   49    HA   ILE   7           HA       ILE   7 -19.448   4.695  -3.480
   50    HB   ILE   7           HB       ILE   7 -17.102   3.664  -5.063
   51   HG12  ILE   7          HG12      ILE   7 -18.882   5.958  -5.836
   52   HG13  ILE   7          HG13      ILE   7 -17.498   6.225  -4.784
   53   HG21  ILE   7          HG21      ILE   7 -18.781   3.359  -6.846
   54   HG22  ILE   7          HG22      ILE   7 -20.047   3.855  -5.722
   55   HG23  ILE   7          HG23      ILE   7 -19.140   2.374  -5.430
   56   HD11  ILE   7          HD11      ILE   7 -17.333   4.984  -7.514
   57   HD12  ILE   7          HD12      ILE   7 -15.990   5.438  -6.458
   58   HD13  ILE   7          HD13      ILE   7 -17.032   6.685  -7.149
   59    H    ALA   8           H        ALA   8 -16.743   3.066  -2.015
   60    HA   ALA   8           HA       ALA   8 -17.670   0.419  -2.222
   61    HB1  ALA   8           HB1      ALA   8 -16.073   1.658   0.018
   62    HB2  ALA   8           HB2      ALA   8 -15.413   0.938  -1.450
   63    HB3  ALA   8           HB3      ALA   8 -16.265  -0.071  -0.280
   64    H    VAL   9           H        VAL   9 -18.482   3.033  -0.005
   65    HA   VAL   9           HA       VAL   9 -20.417   1.391   1.410
   66    HB   VAL   9           HB       VAL   9 -20.030   4.392   1.507
   67   HG11  VAL   9          HG11      VAL   9 -21.236   4.260   3.632
   68   HG12  VAL   9          HG12      VAL   9 -21.476   2.529   3.388
   69   HG13  VAL   9          HG13      VAL   9 -22.226   3.687   2.290
   70   HG21  VAL   9          HG21      VAL   9 -18.004   3.233   2.196
   71   HG22  VAL   9          HG22      VAL   9 -18.936   2.256   3.331
   72   HG23  VAL   9          HG23      VAL   9 -18.790   3.996   3.579
   73    H    ASN  10           H        ASN  10 -20.301   3.751  -1.145
   74    HA   ASN  10           HA       ASN  10 -23.037   4.378  -1.349
   75    HB2  ASN  10           HB2      ASN  10 -20.912   5.490  -2.359
   76    HB3  ASN  10           HB3      ASN  10 -21.219   4.379  -3.674
   77   HD21  ASN  10          HD21      ASN  10 -21.203   7.190  -3.765
   78   HD22  ASN  10          HD22      ASN  10 -22.764   7.679  -4.300
   79    H    THR  11           H        THR  11 -21.197   1.677  -2.443
   80    HA   THR  11           HA       THR  11 -22.674   0.910  -4.684
   81    HB   THR  11           HB       THR  11 -21.779  -1.437  -4.059
   82    HG1  THR  11           HG1      THR  11 -19.996   0.046  -2.455
   83   HG21  THR  11          HG21      THR  11 -19.858   0.823  -4.594
   84   HG22  THR  11          HG22      THR  11 -20.837   0.005  -5.810
   85   HG23  THR  11          HG23      THR  11 -19.583  -0.882  -4.947
   86    HA   PRO  12           HA       PRO  12 -26.234  -0.929  -2.708
   87    HB2  PRO  12           HB2      PRO  12 -26.994  -2.043  -5.267
   88    HB3  PRO  12           HB3      PRO  12 -27.719  -0.692  -4.402
   89    HG2  PRO  12           HG2      PRO  12 -26.351  -0.398  -6.736
   90    HG3  PRO  12           HG3      PRO  12 -26.456   0.867  -5.501
   91    HD2  PRO  12           HD2      PRO  12 -24.257  -1.099  -6.016
   92    HD3  PRO  12           HD3      PRO  12 -24.155   0.642  -5.687
   93    H    GLY  13           H        GLY  13 -24.210  -2.374  -1.984
   94    HA2  GLY  13           HA2      GLY  13 -23.795  -4.528  -1.260
   95    HA3  GLY  13           HA3      GLY  13 -25.221  -5.052  -2.145
   96    H    PHE  14           H        PHE  14 -22.274  -3.451  -3.253
   97    HA   PHE  14           HA       PHE  14 -22.004  -5.067  -5.557
   98    HB2  PHE  14           HB2      PHE  14 -20.743  -2.787  -4.539
   99    HB3  PHE  14           HB3      PHE  14 -19.460  -3.981  -4.707
  100    HD1  PHE  14           HD1      PHE  14 -22.205  -2.291  -6.545
  101    HD2  PHE  14           HD2      PHE  14 -18.561  -4.472  -6.810
  102    HE1  PHE  14           HE1      PHE  14 -22.110  -1.831  -8.958
  103    HE2  PHE  14           HE2      PHE  14 -18.461  -4.015  -9.226
  104    HZ   PHE  14           HZ       PHE  14 -20.237  -2.694 -10.302
  105    H    SER  15           H        SER  15 -19.471  -5.843  -5.822
  106    HA   SER  15           HA       SER  15 -19.237  -8.342  -4.640
  107    HB2  SER  15           HB2      SER  15 -16.937  -6.665  -5.642
  108    HB3  SER  15           HB3      SER  15 -17.100  -8.421  -5.693
  109    HG   SER  15           HG       SER  15 -18.335  -8.275  -7.414
  110    H    THR  16           H        THR  16 -17.577  -9.110  -3.169
  111    HA   THR  16           HA       THR  16 -17.585  -7.781  -0.708
  112    HB   THR  16           HB       THR  16 -15.544  -9.867  -1.472
  113    HG1  THR  16           HG1      THR  16 -18.323 -10.164  -0.909
  114   HG21  THR  16          HG21      THR  16 -15.818 -10.570   0.852
  115   HG22  THR  16          HG22      THR  16 -17.038  -9.321   1.098
  116   HG23  THR  16          HG23      THR  16 -15.366  -8.867   0.769
  117    H    LEU  17           H        LEU  17 -15.550  -7.415  -3.428
  118    HA   LEU  17           HA       LEU  17 -13.191  -6.452  -2.382
  119    HB2  LEU  17           HB2      LEU  17 -14.726  -5.432  -4.771
  120    HB3  LEU  17           HB3      LEU  17 -13.048  -5.060  -4.428
  121    HG   LEU  17           HG       LEU  17 -14.128  -7.827  -4.969
  122   HD11  LEU  17          HD11      LEU  17 -12.486  -6.009  -6.724
  123   HD12  LEU  17          HD12      LEU  17 -14.194  -6.382  -6.948
  124   HD13  LEU  17          HD13      LEU  17 -12.986  -7.657  -7.103
  125   HD21  LEU  17          HD21      LEU  17 -11.304  -6.822  -4.627
  126   HD22  LEU  17          HD22      LEU  17 -11.763  -8.455  -5.104
  127   HD23  LEU  17          HD23      LEU  17 -12.186  -7.856  -3.502
  128    H    VAL  18           H        VAL  18 -16.342  -4.831  -2.567
  129    HA   VAL  18           HA       VAL  18 -15.211  -2.294  -1.705
  130    HB   VAL  18           HB       VAL  18 -17.390  -1.394  -1.800
  131   HG11  VAL  18          HG11      VAL  18 -16.471  -1.857  -3.973
  132   HG12  VAL  18          HG12      VAL  18 -18.218  -2.101  -4.010
  133   HG13  VAL  18          HG13      VAL  18 -17.133  -3.491  -3.935
  134   HG21  VAL  18          HG21      VAL  18 -18.483  -4.207  -1.825
  135   HG22  VAL  18          HG22      VAL  18 -19.441  -2.737  -2.014
  136   HG23  VAL  18          HG23      VAL  18 -18.597  -3.052  -0.491
  137    H    THR  19           H        THR  19 -16.644  -5.100  -0.333
  138    HA   THR  19           HA       THR  19 -17.233  -3.890   2.188
  139    HB   THR  19           HB       THR  19 -17.011  -6.839   1.892
  140    HG1  THR  19           HG1      THR  19 -19.449  -5.957   1.111
  141   HG21  THR  19          HG21      THR  19 -18.945  -4.938   3.226
  142   HG22  THR  19          HG22      THR  19 -17.716  -5.929   4.016
  143   HG23  THR  19          HG23      THR  19 -19.103  -6.698   3.242
  144    H    ALA  20           H        ALA  20 -14.571  -5.607   0.782
  145    HA   ALA  20           HA       ALA  20 -13.240  -6.393   3.125
  146    HB1  ALA  20           HB1      ALA  20 -11.963  -5.685   0.521
  147    HB2  ALA  20           HB2      ALA  20 -12.808  -7.201   0.821
  148    HB3  ALA  20           HB3      ALA  20 -11.367  -6.796   1.755
  149    H    VAL  21           H        VAL  21 -13.099  -3.333   1.334
  150    HA   VAL  21           HA       VAL  21 -11.234  -2.206   3.230
  151    HB   VAL  21           HB       VAL  21 -11.079  -1.092   1.191
  152   HG11  VAL  21          HG11      VAL  21 -14.094  -0.874   1.117
  153   HG12  VAL  21          HG12      VAL  21 -13.117  -1.977   0.148
  154   HG13  VAL  21          HG13      VAL  21 -12.986  -0.234  -0.094
  155   HG21  VAL  21          HG21      VAL  21 -11.137   0.512   2.980
  156   HG22  VAL  21          HG22      VAL  21 -12.905   0.533   2.948
  157   HG23  VAL  21          HG23      VAL  21 -11.989   1.188   1.585
  158    H    LYS  22           H        LYS  22 -14.724  -2.299   2.818
  159    HA   LYS  22           HA       LYS  22 -15.433  -0.374   4.722
  160    HB2  LYS  22           HB2      LYS  22 -16.780  -2.559   3.301
  161    HB3  LYS  22           HB3      LYS  22 -17.511  -2.168   4.840
  162    HG2  LYS  22           HG2      LYS  22 -17.558   0.208   4.030
  163    HG3  LYS  22           HG3      LYS  22 -17.129  -0.397   2.448
  164    HD2  LYS  22           HD2      LYS  22 -19.534  -1.295   4.000
  165    HD3  LYS  22           HD3      LYS  22 -19.545  -0.020   2.786
  166    HE2  LYS  22           HE2      LYS  22 -18.876  -1.576   1.077
  167    HE3  LYS  22           HE3      LYS  22 -18.697  -2.856   2.263
  168    HZ1  LYS  22           HZ1      LYS  22 -20.789  -3.005   1.031
  169    HZ2  LYS  22           HZ2      LYS  22 -21.250  -1.492   1.625
  170    HZ3  LYS  22           HZ3      LYS  22 -21.049  -2.790   2.688
  171    H    VAL  23           H        VAL  23 -14.884  -3.829   4.982
  172    HA   VAL  23           HA       VAL  23 -15.588  -3.995   7.757
  173    HB   VAL  23           HB       VAL  23 -15.778  -5.953   6.292
  174   HG11  VAL  23          HG11      VAL  23 -12.763  -5.878   6.164
  175   HG12  VAL  23          HG12      VAL  23 -13.868  -5.500   4.836
  176   HG13  VAL  23          HG13      VAL  23 -13.808  -7.139   5.498
  177   HG21  VAL  23          HG21      VAL  23 -14.744  -7.577   7.786
  178   HG22  VAL  23          HG22      VAL  23 -15.460  -6.243   8.698
  179   HG23  VAL  23          HG23      VAL  23 -13.714  -6.309   8.453
  180    H    ALA  24           H        ALA  24 -12.669  -3.601   5.907
  181    HA   ALA  24           HA       ALA  24 -10.844  -3.929   8.058
  182    HB1  ALA  24           HB1      ALA  24 -10.372  -2.474   5.488
  183    HB2  ALA  24           HB2      ALA  24 -10.306  -4.227   5.659
  184    HB3  ALA  24           HB3      ALA  24  -9.174  -3.208   6.551
  185    H    ASN  25           H        ASN  25 -13.015  -1.534   7.423
  186    HA   ASN  25           HA       ASN  25 -13.447   0.489   8.217
  187    HB2  ASN  25           HB2      ASN  25 -12.736   1.036  10.301
  188    HB3  ASN  25           HB3      ASN  25 -12.308  -0.659  10.255
  189   HD21  ASN  25          HD21      ASN  25 -10.909   2.579   9.814
  190   HD22  ASN  25          HD22      ASN  25  -9.326   2.137  10.361
  191    H    LEU  26           H        LEU  26 -11.186  -0.047   6.108
  192    HA   LEU  26           HA       LEU  26  -9.862   2.524   6.223
  193    HB2  LEU  26           HB2      LEU  26  -9.528   0.102   4.558
  194    HB3  LEU  26           HB3      LEU  26  -9.008   1.641   3.888
  195    HG   LEU  26           HG       LEU  26  -7.625   1.968   5.988
  196   HD11  LEU  26          HD11      LEU  26  -8.435  -0.891   6.368
  197   HD12  LEU  26          HD12      LEU  26  -8.602   0.457   7.498
  198   HD13  LEU  26          HD13      LEU  26  -7.005  -0.188   7.116
  199   HD21  LEU  26          HD21      LEU  26  -7.021  -0.290   4.093
  200   HD22  LEU  26          HD22      LEU  26  -5.846   0.398   5.220
  201   HD23  LEU  26          HD23      LEU  26  -6.536   1.404   3.946
  202    H    VAL  27           H        VAL  27 -12.828   1.758   5.427
  203    HA   VAL  27           HA       VAL  27 -13.265   2.893   2.909
  204    HB   VAL  27           HB       VAL  27 -14.864   2.005   5.086
  205   HG11  VAL  27          HG11      VAL  27 -16.750   3.547   4.987
  206   HG12  VAL  27          HG12      VAL  27 -15.819   4.625   3.947
  207   HG13  VAL  27          HG13      VAL  27 -15.303   4.345   5.613
  208   HG21  VAL  27          HG21      VAL  27 -15.032   1.092   2.886
  209   HG22  VAL  27          HG22      VAL  27 -15.452   2.671   2.209
  210   HG23  VAL  27          HG23      VAL  27 -16.581   1.840   3.277
  211    H    GLU  28           H        GLU  28 -12.954   4.310   6.085
  212    HA   GLU  28           HA       GLU  28 -13.270   6.998   5.075
  213    HB2  GLU  28           HB2      GLU  28 -12.573   7.569   7.469
  214    HB3  GLU  28           HB3      GLU  28 -14.102   6.741   7.222
  215    HG2  GLU  28           HG2      GLU  28 -13.136   4.643   7.862
  216    HG3  GLU  28           HG3      GLU  28 -11.532   5.372   7.971
  217    H    ALA  29           H        ALA  29 -10.681   4.786   5.527
  218    HA   ALA  29           HA       ALA  29  -8.620   6.702   5.908
  219    HB1  ALA  29           HB1      ALA  29  -8.337   3.822   5.074
  220    HB2  ALA  29           HB2      ALA  29  -8.476   4.379   6.742
  221    HB3  ALA  29           HB3      ALA  29  -7.086   4.854   5.769
  222    H    LEU  30           H        LEU  30  -9.423   4.553   3.189
  223    HA   LEU  30           HA       LEU  30  -7.592   5.496   1.332
  224    HB2  LEU  30           HB2      LEU  30 -10.338   4.588   0.594
  225    HB3  LEU  30           HB3      LEU  30  -8.867   4.440  -0.338
  226    HG   LEU  30           HG       LEU  30  -9.588   2.918   2.149
  227   HD11  LEU  30          HD11      LEU  30  -9.175   2.077  -0.703
  228   HD12  LEU  30          HD12      LEU  30 -10.725   2.217   0.124
  229   HD13  LEU  30          HD13      LEU  30  -9.555   1.004   0.645
  230   HD21  LEU  30          HD21      LEU  30  -7.059   2.841   0.522
  231   HD22  LEU  30          HD22      LEU  30  -7.510   1.667   1.760
  232   HD23  LEU  30          HD23      LEU  30  -7.224   3.353   2.203
  233    H    GLN  31           H        GLN  31 -10.154   7.208   2.609
  234    HA   GLN  31           HA       GLN  31 -11.134   8.621   0.338
  235    HB2  GLN  31           HB2      GLN  31 -11.252   9.390   3.248
  236    HB3  GLN  31           HB3      GLN  31 -12.232  10.067   1.956
  237    HG2  GLN  31           HG2      GLN  31 -12.278   7.142   2.425
  238    HG3  GLN  31           HG3      GLN  31 -13.149   8.205   3.515
  239   HE21  GLN  31          HE21      GLN  31 -13.888   6.182   1.446
  240   HE22  GLN  31          HE22      GLN  31 -15.129   6.988   0.558
  241    H    SER  32           H        SER  32  -8.166   8.696   1.502
  242    HA   SER  32           HA       SER  32  -7.385  11.215   2.193
  243    HB2  SER  32           HB2      SER  32  -5.206  10.550   0.980
  244    HB3  SER  32           HB3      SER  32  -5.773   9.529   2.303
  245    HG   SER  32           HG       SER  32  -6.485   9.012  -0.384
  246    HA   PRO  33           HA       PRO  33  -8.218  13.471  -1.642
  247    HB2  PRO  33           HB2      PRO  33  -7.934  15.876  -0.092
  248    HB3  PRO  33           HB3      PRO  33  -9.410  15.180  -0.758
  249    HG2  PRO  33           HG2      PRO  33  -8.863  15.347   1.928
  250    HG3  PRO  33           HG3      PRO  33  -9.955  14.162   1.201
  251    HD2  PRO  33           HD2      PRO  33  -7.122  13.822   2.079
  252    HD3  PRO  33           HD3      PRO  33  -8.504  12.714   2.248
  253    H    GLY  34           H        GLY  34  -5.634  13.418   0.533
  254    HA2  GLY  34           HA2      GLY  34  -4.004  15.402  -0.784
  255    HA3  GLY  34           HA3      GLY  34  -3.512  14.348   0.529
  256    HA   PRO  35           HA       PRO  35  -1.259  12.657  -2.963
  257    HB2  PRO  35           HB2      PRO  35   0.820  11.747  -1.418
  258    HB3  PRO  35           HB3      PRO  35   0.705  13.367  -2.105
  259    HG2  PRO  35           HG2      PRO  35   0.498  12.534   0.659
  260    HG3  PRO  35           HG3      PRO  35   0.617  14.165  -0.003
  261    HD2  PRO  35           HD2      PRO  35  -1.699  12.741   0.979
  262    HD3  PRO  35           HD3      PRO  35  -1.543  14.441   0.513
  263    H    PHE  36           H        PHE  36  -0.176  10.511  -3.359
  264    HA   PHE  36           HA       PHE  36  -1.420   8.323  -1.889
  265    HB2  PHE  36           HB2      PHE  36  -3.050   8.242  -3.458
  266    HB3  PHE  36           HB3      PHE  36  -2.176   9.281  -4.567
  267    HD1  PHE  36           HD1      PHE  36  -0.130   7.946  -5.793
  268    HD2  PHE  36           HD2      PHE  36  -3.666   6.207  -4.187
  269    HE1  PHE  36           HE1      PHE  36   0.109   6.042  -7.330
  270    HE2  PHE  36           HE2      PHE  36  -3.417   4.292  -5.706
  271    HZ   PHE  36           HZ       PHE  36  -1.529   4.208  -7.281
  272    H    THR  37           H        THR  37   0.009   6.817  -1.521
  273    HA   THR  37           HA       THR  37   2.413   6.735  -3.187
  274    HB   THR  37           HB       THR  37   2.565   6.188  -0.242
  275    HG1  THR  37           HG1      THR  37   2.579   8.354   0.202
  276   HG21  THR  37          HG21      THR  37   4.808   6.974  -0.530
  277   HG22  THR  37          HG22      THR  37   4.383   7.738  -2.068
  278   HG23  THR  37          HG23      THR  37   4.452   5.986  -1.957
  279    H    VAL  38           H        VAL  38   2.781   4.772  -4.011
  280    HA   VAL  38           HA       VAL  38   1.388   2.510  -2.732
  281    HB   VAL  38           HB       VAL  38   0.471   3.307  -4.971
  282   HG11  VAL  38          HG11      VAL  38   2.970   2.019  -6.026
  283   HG12  VAL  38          HG12      VAL  38   2.613   3.745  -6.034
  284   HG13  VAL  38          HG13      VAL  38   1.618   2.636  -6.979
  285   HG21  VAL  38          HG21      VAL  38  -0.075   1.121  -4.070
  286   HG22  VAL  38          HG22      VAL  38   1.415   0.453  -4.736
  287   HG23  VAL  38          HG23      VAL  38   0.143   1.023  -5.818
  288    H    PHE  39           H        PHE  39   2.453   0.599  -2.507
  289    HA   PHE  39           HA       PHE  39   5.291   0.508  -3.242
  290    HB2  PHE  39           HB2      PHE  39   3.628  -1.638  -1.856
  291    HB3  PHE  39           HB3      PHE  39   5.382  -1.555  -1.949
  292    HD1  PHE  39           HD1      PHE  39   6.585   0.212  -0.706
  293    HD2  PHE  39           HD2      PHE  39   2.437  -0.554  -0.148
  294    HE1  PHE  39           HE1      PHE  39   6.660   1.369   1.475
  295    HE2  PHE  39           HE2      PHE  39   2.504   0.600   2.023
  296    HZ   PHE  39           HZ       PHE  39   4.619   1.563   2.840
  297    H    ALA  40           H        ALA  40   5.645  -0.120  -5.293
  298    HA   ALA  40           HA       ALA  40   3.574  -1.659  -6.691
  299    HB1  ALA  40           HB1      ALA  40   6.042  -0.291  -7.748
  300    HB2  ALA  40           HB2      ALA  40   4.400   0.350  -7.776
  301    HB3  ALA  40           HB3      ALA  40   4.806  -1.077  -8.727
  302    HA   PRO  41           HA       PRO  41   6.255  -5.237  -6.122
  303    HB2  PRO  41           HB2      PRO  41   4.413  -7.102  -6.733
  304    HB3  PRO  41           HB3      PRO  41   4.430  -6.280  -5.167
  305    HG2  PRO  41           HG2      PRO  41   2.684  -5.804  -7.542
  306    HG3  PRO  41           HG3      PRO  41   2.272  -5.760  -5.820
  307    HD2  PRO  41           HD2      PRO  41   2.766  -3.533  -7.377
  308    HD3  PRO  41           HD3      PRO  41   2.916  -3.581  -5.609
  309    H    ASN  42           H        ASN  42   7.662  -5.935  -7.656
  310    HA   ASN  42           HA       ASN  42   6.964  -5.573 -10.441
  311    HB2  ASN  42           HB2      ASN  42   9.209  -5.767 -10.950
  312    HB3  ASN  42           HB3      ASN  42   9.324  -5.249  -9.292
  313   HD21  ASN  42          HD21      ASN  42  10.072  -6.567  -7.785
  314   HD22  ASN  42          HD22      ASN  42  10.894  -8.050  -8.162
  315    H    ASP  43           H        ASP  43   8.079  -7.572 -11.808
  316    HA   ASP  43           HA       ASP  43   6.076  -9.505 -11.856
  317    HB2  ASP  43           HB2      ASP  43   8.870  -9.530 -12.984
  318    HB3  ASP  43           HB3      ASP  43   7.745 -10.859 -13.236
  319    H    ASP  44           H        ASP  44   9.025  -9.433  -9.967
  320    HA   ASP  44           HA       ASP  44   8.954 -12.297  -9.472
  321    HB2  ASP  44           HB2      ASP  44  11.092 -10.924  -9.677
  322    HB3  ASP  44           HB3      ASP  44  10.696 -10.279  -8.091
  323    H    ALA  45           H        ALA  45   7.869  -9.371  -8.116
  324    HA   ALA  45           HA       ALA  45   7.380 -10.418  -5.482
  325    HB1  ALA  45           HB1      ALA  45   7.891  -8.061  -5.852
  326    HB2  ALA  45           HB2      ALA  45   6.336  -8.291  -5.053
  327    HB3  ALA  45           HB3      ALA  45   6.398  -7.892  -6.775
  328    H    PHE  46           H        PHE  46   5.606  -9.807  -8.448
  329    HA   PHE  46           HA       PHE  46   3.037 -10.595  -7.614
  330    HB2  PHE  46           HB2      PHE  46   3.670  -9.540  -9.811
  331    HB3  PHE  46           HB3      PHE  46   4.336 -11.085 -10.305
  332    HD1  PHE  46           HD1      PHE  46   1.235  -9.289  -9.463
  333    HD2  PHE  46           HD2      PHE  46   2.933 -12.853 -11.053
  334    HE1  PHE  46           HE1      PHE  46  -0.978  -9.971 -10.288
  335    HE2  PHE  46           HE2      PHE  46   0.722 -13.540 -11.884
  336    HZ   PHE  46           HZ       PHE  46  -1.237 -12.098 -11.499
  337    H    ALA  47           H        ALA  47   5.935 -12.238  -8.148
  338    HA   ALA  47           HA       ALA  47   4.819 -14.895  -8.417
  339    HB1  ALA  47           HB1      ALA  47   7.227 -15.561  -8.418
  340    HB2  ALA  47           HB2      ALA  47   7.635 -13.847  -8.253
  341    HB3  ALA  47           HB3      ALA  47   6.774 -14.419  -9.682
  342    H    LYS  48           H        LYS  48   5.528 -12.779  -5.918
  343    HA   LYS  48           HA       LYS  48   6.056 -14.831  -3.909
  344    HB2  LYS  48           HB2      LYS  48   5.531 -11.914  -3.425
  345    HB3  LYS  48           HB3      LYS  48   6.352 -13.069  -2.389
  346    HG2  LYS  48           HG2      LYS  48   7.394 -12.211  -5.061
  347    HG3  LYS  48           HG3      LYS  48   7.840 -11.451  -3.538
  348    HD2  LYS  48           HD2      LYS  48   8.191 -14.375  -4.142
  349    HD3  LYS  48           HD3      LYS  48   9.457 -13.163  -4.360
  350    HE2  LYS  48           HE2      LYS  48   9.323 -12.611  -1.973
  351    HE3  LYS  48           HE3      LYS  48   8.081 -13.841  -1.765
  352    HZ1  LYS  48           HZ1      LYS  48  10.868 -14.355  -2.656
  353    HZ2  LYS  48           HZ2      LYS  48   9.675 -15.526  -2.414
  354    HZ3  LYS  48           HZ3      LYS  48  10.268 -14.642  -1.101
  355    H    LEU  49           H        LEU  49   3.526 -12.887  -5.188
  356    HA   LEU  49           HA       LEU  49   1.556 -12.879  -3.341
  357    HB2  LEU  49           HB2      LEU  49   1.436 -13.319  -6.297
  358    HB3  LEU  49           HB3      LEU  49  -0.010 -13.137  -5.326
  359    HG   LEU  49           HG       LEU  49   2.196 -11.113  -5.673
  360   HD11  LEU  49          HD11      LEU  49   0.676 -11.269  -7.563
  361   HD12  LEU  49          HD12      LEU  49   0.473  -9.749  -6.687
  362   HD13  LEU  49          HD13      LEU  49  -0.697 -11.053  -6.477
  363   HD21  LEU  49          HD21      LEU  49   0.703  -9.651  -4.308
  364   HD22  LEU  49          HD22      LEU  49   1.474 -10.968  -3.425
  365   HD23  LEU  49          HD23      LEU  49  -0.223 -11.095  -3.891
  366    HA   PRO  50           HA       PRO  50   0.052 -17.346  -4.527
  367    HB2  PRO  50           HB2      PRO  50   2.069 -19.044  -5.334
  368    HB3  PRO  50           HB3      PRO  50   0.926 -18.247  -6.419
  369    HG2  PRO  50           HG2      PRO  50   3.735 -17.518  -5.751
  370    HG3  PRO  50           HG3      PRO  50   2.879 -17.399  -7.298
  371    HD2  PRO  50           HD2      PRO  50   3.351 -15.257  -5.709
  372    HD3  PRO  50           HD3      PRO  50   1.908 -15.379  -6.743
  373    H    ASP  51           H        ASP  51   3.141 -16.586  -3.098
  374    HA   ASP  51           HA       ASP  51   3.214 -18.835  -1.331
  375    HB2  ASP  51           HB2      ASP  51   5.282 -17.669  -1.808
  376    HB3  ASP  51           HB3      ASP  51   4.617 -16.160  -1.191
  377    H    GLY  52           H        GLY  52   1.959 -15.575  -1.199
  378    HA2  GLY  52           HA2      GLY  52  -0.059 -15.084  -0.071
  379    HA3  GLY  52           HA3      GLY  52   0.245 -16.433   1.009
  380    H    THR  53           H        THR  53   2.054 -13.475   0.105
  381    HA   THR  53           HA       THR  53   2.972 -13.013   2.754
  382    HB   THR  53           HB       THR  53   2.661 -11.071   0.461
  383    HG1  THR  53           HG1      THR  53   5.050 -11.442   0.430
  384   HG21  THR  53          HG21      THR  53   4.126 -10.841   3.088
  385   HG22  THR  53          HG22      THR  53   2.808  -9.826   2.493
  386   HG23  THR  53          HG23      THR  53   4.393  -9.759   1.720
  387    H    ILE  54           H        ILE  54   0.564 -11.336   0.764
  388    HA   ILE  54           HA       ILE  54  -0.371  -9.646   2.713
  389    HB   ILE  54           HB       ILE  54  -0.994 -10.288   0.019
  390   HG12  ILE  54          HG12      ILE  54  -1.748  -7.897   0.102
  391   HG13  ILE  54          HG13      ILE  54  -1.545  -7.984   1.842
  392   HG21  ILE  54          HG21      ILE  54  -3.385  -9.655   0.007
  393   HG22  ILE  54          HG22      ILE  54  -3.403  -9.800   1.765
  394   HG23  ILE  54          HG23      ILE  54  -3.094 -11.221   0.767
  395   HD11  ILE  54          HD11      ILE  54   0.862  -8.601   1.389
  396   HD12  ILE  54          HD12      ILE  54   0.354  -6.933   1.124
  397   HD13  ILE  54          HD13      ILE  54   0.559  -8.024  -0.255
  398    H    THR  55           H        THR  55  -1.113 -12.930   2.080
  399    HA   THR  55           HA       THR  55  -3.476 -13.271   3.469
  400    HB   THR  55           HB       THR  55  -1.142 -15.150   3.468
  401    HG1  THR  55           HG1      THR  55  -2.401 -16.110   1.699
  402   HG21  THR  55          HG21      THR  55  -2.908 -15.572   5.180
  403   HG22  THR  55          HG22      THR  55  -2.727 -16.874   3.998
  404   HG23  THR  55          HG23      THR  55  -4.069 -15.735   3.861
  405    H    SER  56           H        SER  56  -0.209 -12.948   4.770
  406    HA   SER  56           HA       SER  56  -1.108 -13.400   7.458
  407    HB2  SER  56           HB2      SER  56   1.161 -14.083   6.821
  408    HB3  SER  56           HB3      SER  56   1.552 -12.418   6.395
  409    HG   SER  56           HG       SER  56   2.315 -12.661   8.428
  410    H    LEU  57           H        LEU  57  -0.605 -10.832   5.301
  411    HA   LEU  57           HA       LEU  57  -0.588  -8.705   7.180
  412    HB2  LEU  57           HB2      LEU  57  -0.765  -8.945   4.278
  413    HB3  LEU  57           HB3      LEU  57  -1.312  -7.447   4.972
  414    HG   LEU  57           HG       LEU  57   0.895  -7.099   5.973
  415   HD11  LEU  57          HD11      LEU  57   2.773  -8.558   5.399
  416   HD12  LEU  57          HD12      LEU  57   1.663  -9.662   4.587
  417   HD13  LEU  57          HD13      LEU  57   1.542  -9.412   6.328
  418   HD21  LEU  57          HD21      LEU  57   0.263  -6.599   3.438
  419   HD22  LEU  57          HD22      LEU  57   1.561  -7.762   3.152
  420   HD23  LEU  57          HD23      LEU  57   1.880  -6.293   4.074
  421    H    VAL  58           H        VAL  58  -3.089 -10.547   5.561
  422    HA   VAL  58           HA       VAL  58  -5.163  -8.666   6.246
  423    HB   VAL  58           HB       VAL  58  -5.345 -10.306   4.340
  424   HG11  VAL  58          HG11      VAL  58  -4.541 -12.320   5.255
  425   HG12  VAL  58          HG12      VAL  58  -6.279 -12.564   5.027
  426   HG13  VAL  58          HG13      VAL  58  -5.638 -12.219   6.642
  427   HG21  VAL  58          HG21      VAL  58  -7.581 -10.423   6.358
  428   HG22  VAL  58          HG22      VAL  58  -7.719 -10.629   4.611
  429   HG23  VAL  58          HG23      VAL  58  -7.264  -9.061   5.284
  430    H    GLN  59           H        GLN  59  -3.636 -11.430   7.701
  431    HA   GLN  59           HA       GLN  59  -5.537 -11.835   9.764
  432    HB2  GLN  59           HB2      GLN  59  -2.596 -12.456   9.907
  433    HB3  GLN  59           HB3      GLN  59  -3.921 -13.312  10.683
  434    HG2  GLN  59           HG2      GLN  59  -3.858 -13.128   7.736
  435    HG3  GLN  59           HG3      GLN  59  -2.770 -14.249   8.517
  436   HE21  GLN  59          HE21      GLN  59  -4.894 -14.805   6.720
  437   HE22  GLN  59          HE22      GLN  59  -6.042 -15.800   7.548
  438    H    ASN  60           H        ASN  60  -2.898  -9.820   9.160
  439    HA   ASN  60           HA       ASN  60  -2.408  -8.732  11.705
  440    HB2  ASN  60           HB2      ASN  60  -1.549  -8.367   8.931
  441    HB3  ASN  60           HB3      ASN  60  -1.545  -6.898   9.869
  442   HD21  ASN  60          HD21      ASN  60  -0.167 -10.028   9.461
  443   HD22  ASN  60          HD22      ASN  60   1.195  -9.784  10.501
  444    HA   PRO  61           HA       PRO  61  -5.237  -5.298  12.412
  445    HB2  PRO  61           HB2      PRO  61  -2.896  -3.636  11.509
  446    HB3  PRO  61           HB3      PRO  61  -4.013  -3.346  12.846
  447    HG2  PRO  61           HG2      PRO  61  -1.639  -4.395  13.325
  448    HG3  PRO  61           HG3      PRO  61  -3.072  -5.008  14.168
  449    HD2  PRO  61           HD2      PRO  61  -1.474  -6.254  12.009
  450    HD3  PRO  61           HD3      PRO  61  -2.447  -7.016  13.281
  451    HA   PRO  62           HA       PRO  62  -7.730  -3.757   9.194
  452    HB2  PRO  62           HB2      PRO  62  -6.446  -1.111   9.616
  453    HB3  PRO  62           HB3      PRO  62  -8.149  -1.493   9.350
  454    HG2  PRO  62           HG2      PRO  62  -7.228  -1.088  11.809
  455    HG3  PRO  62           HG3      PRO  62  -8.426  -2.353  11.482
  456    HD2  PRO  62           HD2      PRO  62  -5.585  -2.601  12.193
  457    HD3  PRO  62           HD3      PRO  62  -6.894  -3.781  12.360
  458    H    GLN  63           H        GLN  63  -4.378  -3.395   8.602
  459    HA   GLN  63           HA       GLN  63  -4.012  -1.856   6.421
  460    HB2  GLN  63           HB2      GLN  63  -2.368  -3.276   7.672
  461    HB3  GLN  63           HB3      GLN  63  -2.820  -4.571   6.569
  462    HG2  GLN  63           HG2      GLN  63  -2.350  -2.799   4.747
  463    HG3  GLN  63           HG3      GLN  63  -1.395  -2.022   6.010
  464   HE21  GLN  63          HE21      GLN  63  -1.973  -5.362   5.118
  465   HE22  GLN  63          HE22      GLN  63  -0.335  -5.741   4.971
  466    H    LEU  64           H        LEU  64  -5.765  -4.836   6.356
  467    HA   LEU  64           HA       LEU  64  -5.661  -5.735   3.813
  468    HB2  LEU  64           HB2      LEU  64  -6.991  -6.915   5.287
  469    HB3  LEU  64           HB3      LEU  64  -7.912  -5.500   5.760
  470    HG   LEU  64           HG       LEU  64  -8.745  -5.503   3.339
  471   HD11  LEU  64          HD11      LEU  64  -7.183  -7.097   2.426
  472   HD12  LEU  64          HD12      LEU  64  -8.827  -7.718   2.282
  473   HD13  LEU  64          HD13      LEU  64  -7.759  -8.339   3.537
  474   HD21  LEU  64          HD21      LEU  64 -10.067  -6.078   5.394
  475   HD22  LEU  64          HD22      LEU  64  -9.694  -7.776   5.062
  476   HD23  LEU  64          HD23      LEU  64 -10.622  -6.829   3.889
  477    H    GLY  65           H        GLY  65  -7.695  -3.092   4.963
  478    HA2  GLY  65           HA2      GLY  65  -9.211  -2.610   2.709
  479    HA3  GLY  65           HA3      GLY  65  -8.763  -1.383   3.861
  480    H    ARG  66           H        ARG  66  -5.920  -1.669   3.283
  481    HA   ARG  66           HA       ARG  66  -5.731   0.257   1.202
  482    HB2  ARG  66           HB2      ARG  66  -3.972   0.692   2.477
  483    HB3  ARG  66           HB3      ARG  66  -4.116  -0.864   3.279
  484    HG2  ARG  66           HG2      ARG  66  -3.014  -1.773   1.090
  485    HG3  ARG  66           HG3      ARG  66  -2.448  -0.104   0.939
  486    HD2  ARG  66           HD2      ARG  66  -2.219  -1.228   3.596
  487    HD3  ARG  66           HD3      ARG  66  -1.224  -2.066   2.387
  488    HE   ARG  66           HE       ARG  66  -0.956   0.758   2.140
  489   HH11  ARG  66          HH11      ARG  66   0.084  -1.870   4.223
  490   HH12  ARG  66          HH12      ARG  66   1.492  -1.030   4.777
  491   HH21  ARG  66          HH21      ARG  66   0.901   1.850   2.890
  492   HH22  ARG  66          HH22      ARG  66   1.954   1.078   4.026
  493    H    ILE  67           H        ILE  67  -5.229  -3.113   1.575
  494    HA   ILE  67           HA       ILE  67  -3.497  -3.560  -0.594
  495    HB   ILE  67           HB       ILE  67  -5.277  -5.483   0.889
  496   HG12  ILE  67          HG12      ILE  67  -2.498  -4.443   1.554
  497   HG13  ILE  67          HG13      ILE  67  -3.987  -4.105   2.426
  498   HG21  ILE  67          HG21      ILE  67  -3.589  -7.142   0.309
  499   HG22  ILE  67          HG22      ILE  67  -2.697  -5.920  -0.601
  500   HG23  ILE  67          HG23      ILE  67  -4.310  -6.412  -1.130
  501   HD11  ILE  67          HD11      ILE  67  -4.181  -6.369   3.140
  502   HD12  ILE  67          HD12      ILE  67  -2.562  -5.785   3.521
  503   HD13  ILE  67          HD13      ILE  67  -2.820  -6.842   2.137
  504    H    LEU  68           H        LEU  68  -6.964  -4.096  -0.139
  505    HA   LEU  68           HA       LEU  68  -7.541  -5.579  -2.356
  506    HB2  LEU  68           HB2      LEU  68  -9.211  -3.479  -1.025
  507    HB3  LEU  68           HB3      LEU  68  -9.826  -4.480  -2.316
  508    HG   LEU  68           HG       LEU  68 -10.570  -5.755  -0.646
  509   HD11  LEU  68          HD11      LEU  68  -9.025  -7.477   0.113
  510   HD12  LEU  68          HD12      LEU  68  -7.673  -6.511  -0.476
  511   HD13  LEU  68          HD13      LEU  68  -8.858  -7.153  -1.612
  512   HD21  LEU  68          HD21      LEU  68  -8.399  -4.800   1.199
  513   HD22  LEU  68          HD22      LEU  68  -9.912  -5.615   1.644
  514   HD23  LEU  68          HD23      LEU  68  -9.942  -3.975   0.985
  515    H    LYS  69           H        LYS  69  -7.753  -2.009  -2.211
  516    HA   LYS  69           HA       LYS  69  -8.606  -1.972  -4.965
  517    HB2  LYS  69           HB2      LYS  69  -8.133   0.245  -2.973
  518    HB3  LYS  69           HB3      LYS  69  -8.738   0.501  -4.604
  519    HG2  LYS  69           HG2      LYS  69 -10.107  -1.232  -2.560
  520    HG3  LYS  69           HG3      LYS  69 -10.489   0.469  -2.833
  521    HD2  LYS  69           HD2      LYS  69 -11.051  -0.039  -5.164
  522    HD3  LYS  69           HD3      LYS  69 -10.675  -1.739  -4.882
  523    HE2  LYS  69           HE2      LYS  69 -12.466  -1.890  -3.249
  524    HE3  LYS  69           HE3      LYS  69 -12.810  -0.172  -3.438
  525    HZ1  LYS  69           HZ1      LYS  69 -14.363  -1.499  -4.703
  526    HZ2  LYS  69           HZ2      LYS  69 -13.103  -2.248  -5.541
  527    HZ3  LYS  69           HZ3      LYS  69 -13.396  -0.599  -5.757
  528    H    TYR  70           H        TYR  70  -5.910  -0.306  -3.255
  529    HA   TYR  70           HA       TYR  70  -4.617  -0.173  -5.892
  530    HB2  TYR  70           HB2      TYR  70  -4.752   1.996  -3.807
  531    HB3  TYR  70           HB3      TYR  70  -3.710   2.057  -5.224
  532    HD1  TYR  70           HD1      TYR  70  -4.923   1.728  -7.519
  533    HD2  TYR  70           HD2      TYR  70  -6.882   2.919  -3.935
  534    HE1  TYR  70           HE1      TYR  70  -6.761   2.673  -8.844
  535    HE2  TYR  70           HE2      TYR  70  -8.730   3.867  -5.256
  536    HH   TYR  70           HH       TYR  70  -9.143   3.220  -8.560
  537    H    HIS  71           H        HIS  71  -4.209  -1.179  -2.691
  538    HA   HIS  71           HA       HIS  71  -2.419  -1.901  -1.463
  539    HB2  HIS  71           HB2      HIS  71  -1.847  -2.922  -3.783
  540    HB3  HIS  71           HB3      HIS  71  -0.696  -1.607  -3.931
  541    HD1  HIS  71           HD1      HIS  71  -1.127  -4.953  -2.527
  542    HD2  HIS  71           HD2      HIS  71   1.466  -1.747  -2.003
  543    HE1  HIS  71           HE1      HIS  71   0.879  -5.895  -1.345
  544    HE2  HIS  71           HE2      HIS  71   2.521  -3.988  -1.260
  545    H    VAL  72           H        VAL  72  -3.124   0.766  -1.397
  546    HA   VAL  72           HA       VAL  72  -0.682   2.338  -1.812
  547    HB   VAL  72           HB       VAL  72  -2.603   2.922  -3.260
  548   HG11  VAL  72          HG11      VAL  72  -4.580   3.993  -2.307
  549   HG12  VAL  72          HG12      VAL  72  -3.970   3.679  -0.682
  550   HG13  VAL  72          HG13      VAL  72  -4.409   2.333  -1.732
  551   HG21  VAL  72          HG21      VAL  72  -2.616   5.359  -2.794
  552   HG22  VAL  72          HG22      VAL  72  -0.999   4.653  -2.760
  553   HG23  VAL  72          HG23      VAL  72  -1.826   5.032  -1.251
  554    H    VAL  73           H        VAL  73  -0.247   4.066  -0.424
  555    HA   VAL  73           HA       VAL  73  -1.819   4.346   2.020
  556    HB   VAL  73           HB       VAL  73   0.019   3.252   2.945
  557   HG11  VAL  73          HG11      VAL  73   1.393   3.091   0.940
  558   HG12  VAL  73          HG12      VAL  73   2.357   3.637   2.313
  559   HG13  VAL  73          HG13      VAL  73   1.825   4.794   1.094
  560   HG21  VAL  73          HG21      VAL  73   1.258   4.888   4.170
  561   HG22  VAL  73          HG22      VAL  73  -0.406   5.457   3.975
  562   HG23  VAL  73          HG23      VAL  73   0.894   6.120   2.956
  563    H    ALA  74           H        ALA  74  -2.348   6.440   2.368
  564    HA   ALA  74           HA       ALA  74  -1.626   8.451   0.485
  565    HB1  ALA  74           HB1      ALA  74  -3.773   8.532   1.585
  566    HB2  ALA  74           HB2      ALA  74  -2.838   9.973   1.999
  567    HB3  ALA  74           HB3      ALA  74  -2.988   8.650   3.163
  568    H    GLY  75           H        GLY  75  -0.167  10.015   0.592
  569    HA2  GLY  75           HA2      GLY  75   1.071  11.559   2.139
  570    HA3  GLY  75           HA3      GLY  75   1.502  10.113   3.038
  571    H    ALA  76           H        ALA  76   2.072  11.993   0.198
  572    HA   ALA  76           HA       ALA  76   3.473  10.220  -1.395
  573    HB1  ALA  76           HB1      ALA  76   3.841  13.203  -1.206
  574    HB2  ALA  76           HB2      ALA  76   2.615  12.376  -2.164
  575    HB3  ALA  76           HB3      ALA  76   4.322  12.176  -2.557
  576    H    TYR  77           H        TYR  77   5.022   9.031  -0.491
  577    HA   TYR  77           HA       TYR  77   7.159  10.377   0.969
  578    HB2  TYR  77           HB2      TYR  77   8.065   8.165   1.490
  579    HB3  TYR  77           HB3      TYR  77   6.461   8.332   2.127
  580    HD1  TYR  77           HD1      TYR  77   7.877   7.141  -1.157
  581    HD2  TYR  77           HD2      TYR  77   5.322   6.343   2.163
  582    HE1  TYR  77           HE1      TYR  77   7.374   4.927  -2.086
  583    HE2  TYR  77           HE2      TYR  77   4.798   4.128   1.222
  584    HH   TYR  77           HH       TYR  77   4.817   3.049  -1.076
  585    H    LYS  78           H        LYS  78   9.235  10.414   0.253
  586    HA   LYS  78           HA       LYS  78   9.746   8.924  -2.206
  587    HB2  LYS  78           HB2      LYS  78  11.156  11.336  -1.115
  588    HB3  LYS  78           HB3      LYS  78  11.840  10.335  -2.382
  589    HG2  LYS  78           HG2      LYS  78  10.746  11.780  -3.744
  590    HG3  LYS  78           HG3      LYS  78   9.392  10.720  -3.390
  591    HD2  LYS  78           HD2      LYS  78   9.365  12.419  -1.267
  592    HD3  LYS  78           HD3      LYS  78   9.829  13.479  -2.603
  593    HE2  LYS  78           HE2      LYS  78   7.918  12.659  -3.902
  594    HE3  LYS  78           HE3      LYS  78   7.482  11.610  -2.549
  595    HZ1  LYS  78           HZ1      LYS  78   6.175  13.678  -2.626
  596    HZ2  LYS  78           HZ2      LYS  78   7.589  14.575  -2.397
  597    HZ3  LYS  78           HZ3      LYS  78   7.052  13.524  -1.188
  598    H    ALA  79           H        ALA  79  11.859   7.718  -2.241
  599    HA   ALA  79           HA       ALA  79  11.781   5.876  -0.180
  600    HB1  ALA  79           HB1      ALA  79  13.820   4.940  -1.069
  601    HB2  ALA  79           HB2      ALA  79  14.161   6.437  -1.938
  602    HB3  ALA  79           HB3      ALA  79  12.771   5.453  -2.391
  603    H    THR  80           H        THR  80  13.537   8.826  -0.359
  604    HA   THR  80           HA       THR  80  15.484   8.158   1.637
  605    HB   THR  80           HB       THR  80  16.014   9.772  -0.137
  606    HG1  THR  80           HG1      THR  80  16.878   9.852   2.157
  607   HG21  THR  80          HG21      THR  80  15.115  12.056  -0.046
  608   HG22  THR  80          HG22      THR  80  14.028  11.574   1.257
  609   HG23  THR  80          HG23      THR  80  13.842  10.874  -0.351
  610    H    ASP  81           H        ASP  81  12.288   9.483   1.604
  611    HA   ASP  81           HA       ASP  81  12.399  10.783   4.160
  612    HB2  ASP  81           HB2      ASP  81  10.721  11.302   2.360
  613    HB3  ASP  81           HB3      ASP  81   9.973   9.734   2.659
  614    H    LEU  82           H        LEU  82  10.995   7.805   2.955
  615    HA   LEU  82           HA       LEU  82  10.118   6.683   5.316
  616    HB2  LEU  82           HB2      LEU  82  11.171   5.411   2.802
  617    HB3  LEU  82           HB3      LEU  82  10.279   4.532   4.039
  618    HG   LEU  82           HG       LEU  82   8.423   5.068   2.837
  619   HD11  LEU  82          HD11      LEU  82   8.965   7.881   3.678
  620   HD12  LEU  82          HD12      LEU  82   8.235   6.643   4.699
  621   HD13  LEU  82          HD13      LEU  82   7.415   7.168   3.234
  622   HD21  LEU  82          HD21      LEU  82   8.469   6.439   0.914
  623   HD22  LEU  82          HD22      LEU  82  10.002   5.545   0.988
  624   HD23  LEU  82          HD23      LEU  82   9.953   7.240   1.471
  625    H    LYS  83           H        LYS  83  13.248   6.120   3.710
  626    HA   LYS  83           HA       LYS  83  14.197   4.350   5.698
  627    HB2  LYS  83           HB2      LYS  83  15.073   4.503   3.381
  628    HB3  LYS  83           HB3      LYS  83  15.796   6.046   3.807
  629    HG2  LYS  83           HG2      LYS  83  17.350   5.075   5.230
  630    HG3  LYS  83           HG3      LYS  83  16.439   3.569   5.349
  631    HD2  LYS  83           HD2      LYS  83  18.391   3.241   3.948
  632    HD3  LYS  83           HD3      LYS  83  16.926   3.113   2.975
  633    HE2  LYS  83           HE2      LYS  83  18.544   4.394   1.761
  634    HE3  LYS  83           HE3      LYS  83  17.248   5.471   2.276
  635    HZ1  LYS  83           HZ1      LYS  83  19.394   6.484   2.635
  636    HZ2  LYS  83           HZ2      LYS  83  19.895   5.179   3.585
  637    HZ3  LYS  83           HZ3      LYS  83  18.649   6.185   4.122
  638    H    ARG  84           H        ARG  84  14.423   7.830   5.309
  639    HA   ARG  84           HA       ARG  84  16.188   8.515   7.307
  640    HB2  ARG  84           HB2      ARG  84  14.330   9.789   5.677
  641    HB3  ARG  84           HB3      ARG  84  13.850  10.199   7.310
  642    HG2  ARG  84           HG2      ARG  84  15.660  11.480   7.678
  643    HG3  ARG  84           HG3      ARG  84  16.720  10.415   6.749
  644    HD2  ARG  84           HD2      ARG  84  15.813  11.281   4.689
  645    HD3  ARG  84           HD3      ARG  84  14.710  12.327   5.582
  646    HE   ARG  84           HE       ARG  84  16.923  13.276   6.527
  647   HH11  ARG  84          HH11      ARG  84  16.446  12.108   3.263
  648   HH12  ARG  84          HH12      ARG  84  17.592  13.207   2.570
  649   HH21  ARG  84          HH21      ARG  84  18.447  14.717   5.610
  650   HH22  ARG  84          HH22      ARG  84  18.729  14.682   3.898
  651    H    MET  85           H        MET  85  12.772   7.759   7.464
  652    HA   MET  85           HA       MET  85  12.610   7.999  10.327
  653    HB2  MET  85           HB2      MET  85  10.720   6.671   8.384
  654    HB3  MET  85           HB3      MET  85  10.372   7.011  10.068
  655    HG2  MET  85           HG2      MET  85  10.514   9.378   9.642
  656    HG3  MET  85           HG3      MET  85  10.957   9.074   7.966
  657    HE1  MET  85           HE1      MET  85   8.625  11.037   8.543
  658    HE2  MET  85           HE2      MET  85   7.400  10.461   7.414
  659    HE3  MET  85           HE3      MET  85   9.092  10.513   6.926
  660    H    GLY  86           H        GLY  86  12.941   5.383   7.988
  661    HA2  GLY  86           HA2      GLY  86  13.878   3.267   8.374
  662    HA3  GLY  86           HA3      GLY  86  13.814   3.579  10.101
  663    H    ILE  87           H        ILE  87  10.942   4.336   8.548
  664    HA   ILE  87           HA       ILE  87   9.650   1.829   8.626
  665    HB   ILE  87           HB       ILE  87   9.991   2.723  11.118
  666   HG12  ILE  87          HG12      ILE  87   7.245   1.735  10.392
  667   HG13  ILE  87          HG13      ILE  87   8.645   0.696  10.186
  668   HG21  ILE  87          HG21      ILE  87   8.982   4.877  10.706
  669   HG22  ILE  87          HG22      ILE  87   7.992   3.963  11.848
  670   HG23  ILE  87          HG23      ILE  87   7.502   4.093  10.154
  671   HD11  ILE  87          HD11      ILE  87   9.148   0.988  12.586
  672   HD12  ILE  87          HD12      ILE  87   7.595   0.214  12.274
  673   HD13  ILE  87          HD13      ILE  87   7.655   1.913  12.745
  674    H    VAL  88           H        VAL  88   7.457   2.013   8.027
  675    HA   VAL  88           HA       VAL  88   6.617   4.625   6.965
  676    HB   VAL  88           HB       VAL  88   5.627   3.331   5.029
  677   HG11  VAL  88          HG11      VAL  88   7.540   4.572   4.532
  678   HG12  VAL  88          HG12      VAL  88   7.937   2.942   3.968
  679   HG13  VAL  88          HG13      VAL  88   8.578   3.532   5.513
  680   HG21  VAL  88          HG21      VAL  88   7.405   1.163   6.166
  681   HG22  VAL  88          HG22      VAL  88   6.660   1.124   4.558
  682   HG23  VAL  88          HG23      VAL  88   5.644   1.114   6.002
  683    H    THR  89           H        THR  89   4.396   5.044   7.174
  684    HA   THR  89           HA       THR  89   2.962   3.010   8.738
  685    HB   THR  89           HB       THR  89   2.169   5.909   8.634
  686    HG1  THR  89           HG1      THR  89   4.399   5.635   9.390
  687   HG21  THR  89          HG21      THR  89   1.185   5.320  10.838
  688   HG22  THR  89          HG22      THR  89   1.721   3.649  10.603
  689   HG23  THR  89          HG23      THR  89   0.520   4.358   9.515
  690    H    SER  90           H        SER  90   1.145   2.173   8.039
  691    HA   SER  90           HA       SER  90   0.257   2.492   5.384
  692    HB2  SER  90           HB2      SER  90  -0.071   0.389   6.470
  693    HB3  SER  90           HB3      SER  90  -0.935   1.122   7.814
  694    HG   SER  90           HG       SER  90  -2.314   0.082   6.277
  695    H    LEU  91           H        LEU  91  -1.969   3.107   4.744
  696    HA   LEU  91           HA       LEU  91  -2.814   5.599   5.562
  697    HB2  LEU  91           HB2      LEU  91  -3.476   4.042   3.548
  698    HB3  LEU  91           HB3      LEU  91  -4.803   3.575   4.580
  699    HG   LEU  91           HG       LEU  91  -5.839   5.599   4.450
  700   HD11  LEU  91          HD11      LEU  91  -3.118   6.723   3.935
  701   HD12  LEU  91          HD12      LEU  91  -4.183   7.027   5.313
  702   HD13  LEU  91          HD13      LEU  91  -4.595   7.662   3.717
  703   HD21  LEU  91          HD21      LEU  91  -5.685   4.593   2.226
  704   HD22  LEU  91          HD22      LEU  91  -4.233   5.546   1.916
  705   HD23  LEU  91          HD23      LEU  91  -5.780   6.355   2.163
  706    H    GLU  92           H        GLU  92  -3.496   2.408   6.754
  707    HA   GLU  92           HA       GLU  92  -5.714   3.216   8.434
  708    HB2  GLU  92           HB2      GLU  92  -5.735   0.916   9.203
  709    HB3  GLU  92           HB3      GLU  92  -5.580   0.948   7.443
  710    HG2  GLU  92           HG2      GLU  92  -3.884  -0.460   7.698
  711    HG3  GLU  92           HG3      GLU  92  -2.971   0.904   8.328
  712    H    GLY  93           H        GLY  93  -2.318   2.912   8.643
  713    HA2  GLY  93           HA2      GLY  93  -1.270   4.233  10.446
  714    HA3  GLY  93           HA3      GLY  93  -2.431   3.504  11.531
  715    H    SER  94           H        SER  94  -1.458   1.090   9.443
  716    HA   SER  94           HA       SER  94   0.177  -0.087  11.442
  717    HB2  SER  94           HB2      SER  94  -0.973  -0.925   8.844
  718    HB3  SER  94           HB3      SER  94   0.457  -1.788   9.403
  719    HG   SER  94           HG       SER  94  -2.129  -1.868  10.331
  720    H    THR  95           H        THR  95   2.264   0.262  11.716
  721    HA   THR  95           HA       THR  95   3.861   1.467   9.652
  722    HB   THR  95           HB       THR  95   5.599   0.858  11.688
  723    HG1  THR  95           HG1      THR  95   4.533   0.957  13.584
  724   HG21  THR  95          HG21      THR  95   5.343   3.197  12.323
  725   HG22  THR  95          HG22      THR  95   3.805   3.274  11.463
  726   HG23  THR  95          HG23      THR  95   5.304   3.020  10.567
  727    H    ILE  96           H        ILE  96   5.535   0.655   8.579
  728    HA   ILE  96           HA       ILE  96   6.260  -2.171   8.912
  729    HB   ILE  96           HB       ILE  96   5.576  -0.696   6.398
  730   HG12  ILE  96          HG12      ILE  96   4.660  -3.053   5.854
  731   HG13  ILE  96          HG13      ILE  96   4.887  -3.374   7.570
  732   HG21  ILE  96          HG21      ILE  96   7.582  -2.892   6.635
  733   HG22  ILE  96          HG22      ILE  96   7.720  -1.355   5.786
  734   HG23  ILE  96          HG23      ILE  96   6.671  -2.625   5.151
  735   HD11  ILE  96          HD11      ILE  96   3.389  -1.516   8.111
  736   HD12  ILE  96          HD12      ILE  96   2.602  -2.731   7.105
  737   HD13  ILE  96          HD13      ILE  96   3.151  -1.217   6.389
  738    HA   PRO  97           HA       PRO  97  10.127  -0.100   9.520
  739    HB2  PRO  97           HB2      PRO  97  11.541  -2.624   9.393
  740    HB3  PRO  97           HB3      PRO  97  11.184  -1.628  10.802
  741    HG2  PRO  97           HG2      PRO  97  10.054  -4.078  10.324
  742    HG3  PRO  97           HG3      PRO  97   9.313  -2.815  11.323
  743    HD2  PRO  97           HD2      PRO  97   8.702  -3.627   8.518
  744    HD3  PRO  97           HD3      PRO  97   7.612  -3.066   9.803
  745    H    ILE  98           H        ILE  98  11.365   0.892   8.222
  746    HA   ILE  98           HA       ILE  98  12.014  -0.204   5.603
  747    HB   ILE  98           HB       ILE  98  12.232   2.582   6.736
  748   HG12  ILE  98          HG12      ILE  98   9.951   1.786   6.284
  749   HG13  ILE  98          HG13      ILE  98  10.422   3.087   5.200
  750   HG21  ILE  98          HG21      ILE  98  12.802   3.289   4.471
  751   HG22  ILE  98          HG22      ILE  98  12.838   1.603   3.956
  752   HG23  ILE  98          HG23      ILE  98  14.010   2.190   5.135
  753   HD11  ILE  98          HD11      ILE  98   9.171   1.151   4.186
  754   HD12  ILE  98          HD12      ILE  98  10.647   0.205   4.425
  755   HD13  ILE  98          HD13      ILE  98  10.672   1.631   3.386
  756    H    HIS  99           H        HIS  99  14.012  -0.509   4.900
  757    HA   HIS  99           HA       HIS  99  16.292   0.196   6.612
  758    HB2  HIS  99           HB2      HIS  99  16.074  -2.459   5.215
  759    HB3  HIS  99           HB3      HIS  99  17.347  -1.939   6.300
  760    HD1  HIS  99           HD1      HIS  99  14.259  -3.811   6.240
  761    HD2  HIS  99           HD2      HIS  99  16.345  -1.578   9.059
  762    HE1  HIS  99           HE1      HIS  99  13.317  -4.487   8.471
  763    HE2  HIS  99           HE2      HIS  99  14.706  -3.241  10.165
  764    H    GLY 100           H        GLY 100  18.402  -0.304   5.174
  765    HA2  GLY 100           HA2      GLY 100  18.276  -0.470   2.429
  766    HA3  GLY 100           HA3      GLY 100  18.082   1.236   2.784
  767    H    ASP 101           H        ASP 101  20.261  -1.252   2.226
  768    HA   ASP 101           HA       ASP 101  22.524   0.080   3.482
  769    HB2  ASP 101           HB2      ASP 101  22.427  -2.415   3.302
  770    HB3  ASP 101           HB3      ASP 101  22.517  -2.255   1.551
  771    H    ASN 102           H        ASN 102  21.349  -0.696   0.253
  772    HA   ASN 102           HA       ASN 102  22.688   1.713  -0.735
  773    HB2  ASN 102           HB2      ASN 102  23.983  -0.174  -1.539
  774    HB3  ASN 102           HB3      ASN 102  22.538  -0.948  -2.165
  775   HD21  ASN 102          HD21      ASN 102  21.645  -0.220  -4.089
  776   HD22  ASN 102          HD22      ASN 102  22.462   0.886  -5.133
  777    HA   PRO 103           HA       PRO 103  18.454   1.445  -2.845
  778    HB2  PRO 103           HB2      PRO 103  17.062  -0.765  -3.110
  779    HB3  PRO 103           HB3      PRO 103  18.551  -0.592  -4.049
  780    HG2  PRO 103           HG2      PRO 103  18.096  -2.075  -1.487
  781    HG3  PRO 103           HG3      PRO 103  18.927  -2.625  -2.958
  782    HD2  PRO 103           HD2      PRO 103  20.213  -1.570  -0.778
  783    HD3  PRO 103           HD3      PRO 103  20.869  -1.557  -2.417
  784    H    LEU 104           H        LEU 104  16.100   1.377  -2.126
  785    HA   LEU 104           HA       LEU 104  15.886   1.487   0.725
  786    HB2  LEU 104           HB2      LEU 104  14.560   2.939  -0.835
  787    HB3  LEU 104           HB3      LEU 104  13.696   1.509  -1.335
  788    HG   LEU 104           HG       LEU 104  13.049   1.289   1.162
  789   HD11  LEU 104          HD11      LEU 104  14.531   2.925   2.087
  790   HD12  LEU 104          HD12      LEU 104  12.866   3.486   2.295
  791   HD13  LEU 104          HD13      LEU 104  13.883   4.176   1.024
  792   HD21  LEU 104          HD21      LEU 104  11.244   1.684  -0.151
  793   HD22  LEU 104          HD22      LEU 104  11.969   3.097  -0.923
  794   HD23  LEU 104          HD23      LEU 104  11.295   3.226   0.704
  795    H    GLU 105           H        GLU 105  14.434   0.206   1.981
  796    HA   GLU 105           HA       GLU 105  14.009  -2.506   0.971
  797    HB2  GLU 105           HB2      GLU 105  15.563  -1.791   3.460
  798    HB3  GLU 105           HB3      GLU 105  15.029  -3.418   3.053
  799    HG2  GLU 105           HG2      GLU 105  16.540  -2.026   0.959
  800    HG3  GLU 105           HG3      GLU 105  17.445  -2.404   2.433
  801    H    VAL 106           H        VAL 106  12.055  -3.105   1.437
  802    HA   VAL 106           HA       VAL 106  10.688  -1.750   3.660
  803    HB   VAL 106           HB       VAL 106   9.705  -0.748   1.879
  804   HG11  VAL 106          HG11      VAL 106  10.260  -3.245   0.328
  805   HG12  VAL 106          HG12      VAL 106  10.914  -1.614   0.080
  806   HG13  VAL 106          HG13      VAL 106   9.220  -1.965  -0.296
  807   HG21  VAL 106          HG21      VAL 106   7.829  -1.710   2.960
  808   HG22  VAL 106          HG22      VAL 106   8.106  -3.277   2.187
  809   HG23  VAL 106          HG23      VAL 106   7.562  -1.903   1.221
  810    H    LYS 107           H        LYS 107  10.459  -3.137   5.229
  811    HA   LYS 107           HA       LYS 107  10.288  -4.987   6.455
  812    HB2  LYS 107           HB2      LYS 107   8.247  -6.321   6.204
  813    HB3  LYS 107           HB3      LYS 107   7.950  -4.601   6.161
  814    HG2  LYS 107           HG2      LYS 107   7.865  -4.830   3.632
  815    HG3  LYS 107           HG3      LYS 107   7.810  -6.570   3.914
  816    HD2  LYS 107           HD2      LYS 107   5.820  -6.265   5.317
  817    HD3  LYS 107           HD3      LYS 107   5.842  -4.542   4.938
  818    HE2  LYS 107           HE2      LYS 107   4.266  -5.639   3.494
  819    HE3  LYS 107           HE3      LYS 107   5.654  -5.109   2.543
  820    HZ1  LYS 107           HZ1      LYS 107   5.136  -7.873   3.498
  821    HZ2  LYS 107           HZ2      LYS 107   6.532  -7.384   2.681
  822    HZ3  LYS 107           HZ3      LYS 107   5.032  -7.329   1.893
  823    H    ASN 108           H        ASN 108   9.458  -6.551   3.348
  824    HA   ASN 108           HA       ASN 108  11.558  -8.517   3.963
  825    HB2  ASN 108           HB2      ASN 108  10.077 -10.312   3.201
  826    HB3  ASN 108           HB3      ASN 108   9.321  -9.441   4.529
  827   HD21  ASN 108          HD21      ASN 108   8.071 -11.086   2.499
  828   HD22  ASN 108          HD22      ASN 108   6.954 -10.068   1.646
  829    H    ALA 109           H        ALA 109  10.669  -6.167   2.022
  830    HA   ALA 109           HA       ALA 109  11.396  -7.529  -0.474
  831    HB1  ALA 109           HB1      ALA 109   9.053  -6.785  -0.378
  832    HB2  ALA 109           HB2      ALA 109   9.975  -5.965  -1.636
  833    HB3  ALA 109           HB3      ALA 109   9.610  -5.125  -0.127
  834    H    THR 110           H        THR 110  12.289  -6.010  -2.111
  835    HA   THR 110           HA       THR 110  14.059  -4.043  -0.905
  836    HB   THR 110           HB       THR 110  14.815  -5.956  -3.130
  837    HG1  THR 110           HG1      THR 110  15.516  -5.901  -0.343
  838   HG21  THR 110          HG21      THR 110  15.978  -3.807  -3.244
  839   HG22  THR 110          HG22      THR 110  17.092  -5.077  -2.737
  840   HG23  THR 110          HG23      THR 110  16.440  -3.947  -1.548
  841    H    VAL 111           H        VAL 111  14.249  -2.218  -2.027
  842    HA   VAL 111           HA       VAL 111  12.173  -1.771  -3.998
  843    HB   VAL 111           HB       VAL 111  14.124   0.062  -2.649
  844   HG11  VAL 111          HG11      VAL 111  11.758   0.741  -4.395
  845   HG12  VAL 111          HG12      VAL 111  13.451   1.022  -4.797
  846   HG13  VAL 111          HG13      VAL 111  12.705   1.898  -3.460
  847   HG21  VAL 111          HG21      VAL 111  11.308  -0.744  -2.158
  848   HG22  VAL 111          HG22      VAL 111  11.971   0.753  -1.522
  849   HG23  VAL 111          HG23      VAL 111  12.686  -0.790  -1.059
  850    H    LEU 112           H        LEU 112  12.391  -1.706  -6.088
  851    HA   LEU 112           HA       LEU 112  15.028  -1.794  -7.281
  852    HB2  LEU 112           HB2      LEU 112  12.274  -2.159  -8.435
  853    HB3  LEU 112           HB3      LEU 112  13.735  -2.188  -9.391
  854    HG   LEU 112           HG       LEU 112  14.459  -4.117  -7.830
  855   HD11  LEU 112          HD11      LEU 112  13.004  -4.909  -6.337
  856   HD12  LEU 112          HD12      LEU 112  11.646  -4.801  -7.483
  857   HD13  LEU 112          HD13      LEU 112  12.163  -3.368  -6.572
  858   HD21  LEU 112          HD21      LEU 112  12.171  -4.479  -9.767
  859   HD22  LEU 112          HD22      LEU 112  13.257  -5.749  -9.204
  860   HD23  LEU 112          HD23      LEU 112  13.883  -4.425 -10.186
  861    H    ALA 113           H        ALA 113  12.216   0.275  -6.961
  862    HA   ALA 113           HA       ALA 113  13.652   2.521  -8.002
  863    HB1  ALA 113           HB1      ALA 113  11.347   1.430  -9.609
  864    HB2  ALA 113           HB2      ALA 113  13.037   1.472 -10.111
  865    HB3  ALA 113           HB3      ALA 113  12.146   2.977  -9.886
  866    H    ALA 114           H        ALA 114  13.060   4.000  -6.566
  867    HA   ALA 114           HA       ALA 114  10.197   4.415  -6.175
  868    HB1  ALA 114           HB1      ALA 114  10.904   3.333  -4.167
  869    HB2  ALA 114           HB2      ALA 114  10.740   5.050  -3.794
  870    HB3  ALA 114           HB3      ALA 114  12.340   4.349  -4.065
  871    H    ASP 115           H        ASP 115  10.253   6.663  -4.695
  872    HA   ASP 115           HA       ASP 115  10.267   8.918  -5.003
  873    HB2  ASP 115           HB2      ASP 115  12.713   8.796  -4.780
  874    HB3  ASP 115           HB3      ASP 115  12.868   8.354  -6.473
  875    H    ILE 116           H        ILE 116   9.134   6.887  -6.792
  876    HA   ILE 116           HA       ILE 116   9.114   8.070  -9.418
  877    HB   ILE 116           HB       ILE 116   7.250   5.965  -8.344
  878   HG12  ILE 116          HG12      ILE 116  10.007   5.606  -9.515
  879   HG13  ILE 116          HG13      ILE 116   9.483   5.168  -7.904
  880   HG21  ILE 116          HG21      ILE 116   6.639   7.021 -10.457
  881   HG22  ILE 116          HG22      ILE 116   7.048   5.315 -10.673
  882   HG23  ILE 116          HG23      ILE 116   8.209   6.562 -11.131
  883   HD11  ILE 116          HD11      ILE 116   8.022   3.465  -8.815
  884   HD12  ILE 116          HD12      ILE 116   9.682   3.223  -9.356
  885   HD13  ILE 116          HD13      ILE 116   8.489   3.921 -10.452
  886    H    GLU 117           H        GLU 117   8.020   9.941  -9.576
  887    HA   GLU 117           HA       GLU 117   5.965  10.674  -7.792
  888    HB2  GLU 117           HB2      GLU 117   6.584  11.852 -10.495
  889    HB3  GLU 117           HB3      GLU 117   5.609  12.590  -9.227
  890    HG2  GLU 117           HG2      GLU 117   7.605  12.555  -7.749
  891    HG3  GLU 117           HG3      GLU 117   8.549  11.967  -9.120
  892    H    ALA 118           H        ALA 118   4.186   9.612  -7.665
  893    HA   ALA 118           HA       ALA 118   2.866   8.413  -9.917
  894    HB1  ALA 118           HB1      ALA 118   2.011   7.100  -8.363
  895    HB2  ALA 118           HB2      ALA 118   1.164   8.476  -7.651
  896    HB3  ALA 118           HB3      ALA 118   2.800   8.074  -7.115
  897    H    GLU 119           H        GLU 119   0.319   8.710  -9.724
  898    HA   GLU 119           HA       GLU 119  -0.408  11.095 -10.870
  899    HB2  GLU 119           HB2      GLU 119  -2.751  10.462  -9.938
  900    HB3  GLU 119           HB3      GLU 119  -1.962   9.393 -11.088
  901    HG2  GLU 119           HG2      GLU 119  -1.231   7.949  -9.281
  902    HG3  GLU 119           HG3      GLU 119  -1.953   9.034  -8.097
  903    H    ASN 120           H        ASN 120  -0.795  10.229  -7.423
  904    HA   ASN 120           HA       ASN 120  -1.013  13.109  -6.862
  905    HB2  ASN 120           HB2      ASN 120  -2.402  10.778  -5.591
  906    HB3  ASN 120           HB3      ASN 120  -2.194  12.281  -4.708
  907   HD21  ASN 120          HD21      ASN 120  -4.347  12.743  -4.604
  908   HD22  ASN 120          HD22      ASN 120  -5.286  13.188  -5.989
  909    H    GLY 121           H        GLY 121   0.934  10.372  -6.398
  910    HA2  GLY 121           HA2      GLY 121   2.456  11.821  -4.371
  911    HA3  GLY 121           HA3      GLY 121   1.862  10.248  -3.881
  912    H    ILE 122           H        ILE 122   3.014   8.584  -4.312
  913    HA   ILE 122           HA       ILE 122   5.158   8.683  -6.271
  914    HB   ILE 122           HB       ILE 122   5.531   8.395  -3.311
  915   HG12  ILE 122          HG12      ILE 122   5.545  10.646  -4.519
  916   HG13  ILE 122          HG13      ILE 122   6.883  10.272  -3.445
  917   HG21  ILE 122          HG21      ILE 122   6.796   6.610  -4.265
  918   HG22  ILE 122          HG22      ILE 122   7.900   7.896  -3.763
  919   HG23  ILE 122          HG23      ILE 122   7.493   7.695  -5.469
  920   HD11  ILE 122          HD11      ILE 122   7.284   9.509  -6.247
  921   HD12  ILE 122          HD12      ILE 122   8.400  10.282  -5.096
  922   HD13  ILE 122          HD13      ILE 122   7.175  11.245  -5.930
  923    H    ILE 123           H        ILE 123   5.943   6.738  -6.882
  924    HA   ILE 123           HA       ILE 123   4.540   4.335  -5.902
  925    HB   ILE 123           HB       ILE 123   5.635   4.972  -8.645
  926   HG12  ILE 123          HG12      ILE 123   2.848   4.181  -7.807
  927   HG13  ILE 123          HG13      ILE 123   3.387   5.854  -7.873
  928   HG21  ILE 123          HG21      ILE 123   4.451   2.361  -7.707
  929   HG22  ILE 123          HG22      ILE 123   6.167   2.636  -8.026
  930   HG23  ILE 123          HG23      ILE 123   4.990   2.741  -9.344
  931   HD11  ILE 123          HD11      ILE 123   3.928   5.467 -10.295
  932   HD12  ILE 123          HD12      ILE 123   2.217   5.440  -9.866
  933   HD13  ILE 123          HD13      ILE 123   3.082   3.925 -10.150
  934    H    HIS 124           H        HIS 124   5.813   2.414  -5.679
  935    HA   HIS 124           HA       HIS 124   8.680   2.746  -5.891
  936    HB2  HIS 124           HB2      HIS 124   8.981   3.334  -3.841
  937    HB3  HIS 124           HB3      HIS 124   7.257   3.127  -3.467
  938    HD1  HIS 124           HD1      HIS 124   7.412   2.324  -1.209
  939    HD2  HIS 124           HD2      HIS 124   9.845   0.176  -3.792
  940    HE1  HIS 124           HE1      HIS 124   8.434   0.505   0.186
  941    HE2  HIS 124           HE2      HIS 124   9.752  -0.872  -1.439
  942    H    VAL 125           H        VAL 125   9.383   1.138  -6.797
  943    HA   VAL 125           HA       VAL 125   7.851  -1.291  -7.059
  944    HB   VAL 125           HB       VAL 125  10.551  -0.629  -8.251
  945   HG11  VAL 125          HG11      VAL 125   8.519  -2.728  -9.007
  946   HG12  VAL 125          HG12      VAL 125  10.069  -3.020  -8.220
  947   HG13  VAL 125          HG13      VAL 125  10.021  -2.389  -9.865
  948   HG21  VAL 125          HG21      VAL 125   7.788  -0.296  -9.416
  949   HG22  VAL 125          HG22      VAL 125   9.301  -0.075 -10.293
  950   HG23  VAL 125          HG23      VAL 125   8.894   0.998  -8.955
  951    H    ILE 126           H        ILE 126   8.164  -3.129  -6.022
  952    HA   ILE 126           HA       ILE 126  10.723  -3.551  -4.614
  953    HB   ILE 126           HB       ILE 126   9.613  -4.681  -2.830
  954   HG12  ILE 126          HG12      ILE 126   7.588  -5.147  -4.629
  955   HG13  ILE 126          HG13      ILE 126   7.537  -5.527  -2.914
  956   HG21  ILE 126          HG21      ILE 126   8.326  -2.030  -3.425
  957   HG22  ILE 126          HG22      ILE 126   9.827  -2.327  -2.536
  958   HG23  ILE 126          HG23      ILE 126   8.282  -2.840  -1.856
  959   HD11  ILE 126          HD11      ILE 126   5.541  -4.325  -3.655
  960   HD12  ILE 126          HD12      ILE 126   6.554  -2.962  -4.145
  961   HD13  ILE 126          HD13      ILE 126   6.454  -3.424  -2.440
  962    H    ASP 127           H        ASP 127  11.096  -5.808  -4.139
  963    HA   ASP 127           HA       ASP 127  10.490  -7.358  -6.540
  964    HB2  ASP 127           HB2      ASP 127  12.845  -6.656  -6.139
  965    HB3  ASP 127           HB3      ASP 127  12.854  -7.626  -4.683
  966    H    THR 128           H        THR 128   9.130  -7.101  -3.840
  967    HA   THR 128           HA       THR 128   8.379  -9.818  -3.579
  968    HB   THR 128           HB       THR 128  10.133  -8.595  -1.462
  969    HG1  THR 128           HG1      THR 128  10.670 -10.241  -3.356
  970   HG21  THR 128          HG21      THR 128   9.538 -10.559  -0.041
  971   HG22  THR 128          HG22      THR 128   8.210 -10.892  -1.154
  972   HG23  THR 128          HG23      THR 128   8.242  -9.379  -0.244
  973    H    VAL 129           H        VAL 129   6.291  -9.853  -2.902
  974    HA   VAL 129           HA       VAL 129   4.999  -7.442  -2.129
  975    HB   VAL 129           HB       VAL 129   4.040 -10.308  -2.286
  976   HG11  VAL 129          HG11      VAL 129   2.441  -7.832  -1.677
  977   HG12  VAL 129          HG12      VAL 129   2.808  -9.132  -0.545
  978   HG13  VAL 129          HG13      VAL 129   1.789  -9.447  -1.948
  979   HG21  VAL 129          HG21      VAL 129   4.504  -9.228  -4.429
  980   HG22  VAL 129          HG22      VAL 129   3.480  -7.867  -3.975
  981   HG23  VAL 129          HG23      VAL 129   2.768  -9.462  -4.216
  Start of MODEL    7
    1    H1   MET   1           H1       MET   1 -16.601  14.496  -5.504
    2    H2   MET   1           H2       MET   1 -17.667  15.271  -4.447
    3    H3   MET   1           H3       MET   1 -17.599  15.740  -6.066
    4    HA   MET   1           HA       MET   1 -19.555  14.423  -5.638
    5    HB2  MET   1           HB2      MET   1 -17.442  13.089  -7.331
    6    HB3  MET   1           HB3      MET   1 -19.135  12.618  -7.339
    7    HG2  MET   1           HG2      MET   1 -18.050  15.319  -8.099
    8    HG3  MET   1           HG3      MET   1 -18.599  14.068  -9.212
    9    HE1  MET   1           HE1      MET   1 -20.192  15.868 -10.374
   10    HE2  MET   1           HE2      MET   1 -19.635  17.091  -9.233
   11    HE3  MET   1           HE3      MET   1 -21.363  16.845  -9.487
   12    H    ALA   2           H        ALA   2 -16.889  12.071  -5.683
   13    HA   ALA   2           HA       ALA   2 -17.360  11.111  -3.061
   14    HB1  ALA   2           HB1      ALA   2 -19.406  10.221  -4.106
   15    HB2  ALA   2           HB2      ALA   2 -18.326   8.935  -3.566
   16    HB3  ALA   2           HB3      ALA   2 -18.415   9.352  -5.277
   17    H    THR   3           H        THR   3 -15.421  10.480  -2.481
   18    HA   THR   3           HA       THR   3 -13.333   9.696  -4.194
   19    HB   THR   3           HB       THR   3 -13.732   9.058  -1.255
   20    HG1  THR   3           HG1      THR   3 -13.123  11.065  -0.870
   21   HG21  THR   3          HG21      THR   3 -11.135   9.331  -2.767
   22   HG22  THR   3          HG22      THR   3 -11.911   7.783  -2.435
   23   HG23  THR   3          HG23      THR   3 -11.366   8.798  -1.099
   24    H    ILE   4           H        ILE   4 -12.479   7.612  -4.612
   25    HA   ILE   4           HA       ILE   4 -14.319   5.685  -5.359
   26    HB   ILE   4           HB       ILE   4 -12.278   4.113  -5.450
   27   HG12  ILE   4          HG12      ILE   4 -10.112   5.475  -5.576
   28   HG13  ILE   4          HG13      ILE   4 -10.963   6.719  -4.675
   29   HG21  ILE   4          HG21      ILE   4 -12.325   6.696  -6.996
   30   HG22  ILE   4          HG22      ILE   4 -13.230   5.231  -7.374
   31   HG23  ILE   4          HG23      ILE   4 -11.470   5.231  -7.474
   32   HD11  ILE   4          HD11      ILE   4 -11.263   5.206  -2.815
   33   HD12  ILE   4          HD12      ILE   4  -9.557   5.327  -3.250
   34   HD13  ILE   4          HD13      ILE   4 -10.490   3.907  -3.724
   35    H    VAL   5           H        VAL   5 -12.944   6.161  -2.264
   36    HA   VAL   5           HA       VAL   5 -13.703   3.526  -1.315
   37    HB   VAL   5           HB       VAL   5 -11.648   4.300  -0.414
   38   HG11  VAL   5          HG11      VAL   5 -11.763   6.646  -0.825
   39   HG12  VAL   5          HG12      VAL   5 -11.495   6.412   0.904
   40   HG13  VAL   5          HG13      VAL   5 -13.104   6.825   0.307
   41   HG21  VAL   5          HG21      VAL   5 -12.986   3.130   1.160
   42   HG22  VAL   5          HG22      VAL   5 -13.858   4.610   1.559
   43   HG23  VAL   5          HG23      VAL   5 -12.156   4.445   1.996
   44    H    ASP   6           H        ASP   6 -14.631   6.877  -1.011
   45    HA   ASP   6           HA       ASP   6 -16.485   6.883   1.012
   46    HB2  ASP   6           HB2      ASP   6 -15.748   8.848  -0.351
   47    HB3  ASP   6           HB3      ASP   6 -16.793   8.294  -1.642
   48    H    ILE   7           H        ILE   7 -16.985   6.171  -2.380
   49    HA   ILE   7           HA       ILE   7 -19.710   5.658  -2.302
   50    HB   ILE   7           HB       ILE   7 -17.811   4.251  -4.171
   51   HG12  ILE   7          HG12      ILE   7 -19.080   6.891  -4.790
   52   HG13  ILE   7          HG13      ILE   7 -17.608   6.866  -3.823
   53   HG21  ILE   7          HG21      ILE   7 -19.723   4.390  -5.713
   54   HG22  ILE   7          HG22      ILE   7 -20.668   5.205  -4.465
   55   HG23  ILE   7          HG23      ILE   7 -20.165   3.530  -4.235
   56   HD11  ILE   7          HD11      ILE   7 -17.887   5.641  -6.555
   57   HD12  ILE   7          HD12      ILE   7 -16.414   5.745  -5.585
   58   HD13  ILE   7          HD13      ILE   7 -17.169   7.214  -6.207
   59    H    ALA   8           H        ALA   8 -17.101   3.683  -1.152
   60    HA   ALA   8           HA       ALA   8 -18.231   1.131  -1.483
   61    HB1  ALA   8           HB1      ALA   8 -15.891   1.434  -0.914
   62    HB2  ALA   8           HB2      ALA   8 -16.687   0.401   0.274
   63    HB3  ALA   8           HB3      ALA   8 -16.341   2.087   0.661
   64    H    VAL   9           H        VAL   9 -18.607   3.523   1.094
   65    HA   VAL   9           HA       VAL   9 -20.450   1.881   2.584
   66    HB   VAL   9           HB       VAL   9 -20.025   4.873   2.765
   67   HG11  VAL   9          HG11      VAL   9 -22.101   4.129   3.807
   68   HG12  VAL   9          HG12      VAL   9 -20.935   4.642   5.026
   69   HG13  VAL   9          HG13      VAL   9 -21.214   2.925   4.740
   70   HG21  VAL   9          HG21      VAL   9 -18.700   2.648   4.310
   71   HG22  VAL   9          HG22      VAL   9 -18.520   4.372   4.636
   72   HG23  VAL   9          HG23      VAL   9 -17.928   3.694   3.120
   73    H    ASN  10           H        ASN  10 -20.606   4.090  -0.048
   74    HA   ASN  10           HA       ASN  10 -23.383   4.797   0.180
   75    HB2  ASN  10           HB2      ASN  10 -21.705   6.272  -0.885
   76    HB3  ASN  10           HB3      ASN  10 -21.439   5.062  -2.120
   77   HD21  ASN  10          HD21      ASN  10 -21.911   6.567  -3.672
   78   HD22  ASN  10          HD22      ASN  10 -23.529   7.041  -4.022
   79    H    THR  11           H        THR  11 -21.594   2.216  -1.255
   80    HA   THR  11           HA       THR  11 -23.278   1.654  -3.425
   81    HB   THR  11           HB       THR  11 -22.193  -0.644  -3.314
   82    HG1  THR  11           HG1      THR  11 -21.455   0.260  -0.944
   83   HG21  THR  11          HG21      THR  11 -21.519   1.263  -4.751
   84   HG22  THR  11          HG22      THR  11 -20.179   0.202  -4.303
   85   HG23  THR  11          HG23      THR  11 -20.384   1.754  -3.490
   86    HA   PRO  12           HA       PRO  12 -26.591  -0.446  -1.453
   87    HB2  PRO  12           HB2      PRO  12 -27.955  -1.136  -3.594
   88    HB3  PRO  12           HB3      PRO  12 -27.666   0.576  -3.270
   89    HG2  PRO  12           HG2      PRO  12 -26.133  -1.288  -5.031
   90    HG3  PRO  12           HG3      PRO  12 -26.813   0.290  -5.460
   91    HD2  PRO  12           HD2      PRO  12 -24.244  -0.034  -4.751
   92    HD3  PRO  12           HD3      PRO  12 -25.150   1.428  -4.355
   93    H    GLY  13           H        GLY  13 -24.518  -1.993  -1.019
   94    HA2  GLY  13           HA2      GLY  13 -24.102  -4.227  -0.564
   95    HA3  GLY  13           HA3      GLY  13 -25.537  -4.649  -1.487
   96    H    PHE  14           H        PHE  14 -22.673  -2.823  -2.457
   97    HA   PHE  14           HA       PHE  14 -22.478  -4.122  -4.952
   98    HB2  PHE  14           HB2      PHE  14 -21.032  -2.048  -3.539
   99    HB3  PHE  14           HB3      PHE  14 -19.945  -3.082  -4.464
  100    HD1  PHE  14           HD1      PHE  14 -23.416  -1.895  -5.141
  101    HD2  PHE  14           HD2      PHE  14 -19.344  -1.942  -6.372
  102    HE1  PHE  14           HE1      PHE  14 -24.028  -0.680  -7.190
  103    HE2  PHE  14           HE2      PHE  14 -19.947  -0.727  -8.425
  104    HZ   PHE  14           HZ       PHE  14 -22.293  -0.096  -8.836
  105    H    SER  15           H        SER  15 -20.171  -4.849  -5.624
  106    HA   SER  15           HA       SER  15 -19.684  -7.418  -4.745
  107    HB2  SER  15           HB2      SER  15 -17.661  -5.528  -5.963
  108    HB3  SER  15           HB3      SER  15 -17.675  -7.289  -6.077
  109    HG   SER  15           HG       SER  15 -19.820  -6.957  -7.116
  110    H    THR  16           H        THR  16 -17.827  -8.293  -3.663
  111    HA   THR  16           HA       THR  16 -17.456  -7.281  -1.100
  112    HB   THR  16           HB       THR  16 -15.501  -9.148  -2.433
  113    HG1  THR  16           HG1      THR  16 -17.083 -10.517  -2.719
  114   HG21  THR  16          HG21      THR  16 -14.968  -8.511  -0.149
  115   HG22  THR  16          HG22      THR  16 -15.490 -10.195  -0.191
  116   HG23  THR  16          HG23      THR  16 -16.594  -8.944   0.376
  117    H    LEU  17           H        LEU  17 -15.865  -6.459  -4.014
  118    HA   LEU  17           HA       LEU  17 -13.405  -5.533  -3.166
  119    HB2  LEU  17           HB2      LEU  17 -15.297  -4.469  -5.252
  120    HB3  LEU  17           HB3      LEU  17 -13.717  -3.762  -4.983
  121    HG   LEU  17           HG       LEU  17 -12.719  -6.023  -5.488
  122   HD11  LEU  17          HD11      LEU  17 -14.678  -7.406  -5.091
  123   HD12  LEU  17          HD12      LEU  17 -14.094  -7.611  -6.742
  124   HD13  LEU  17          HD13      LEU  17 -15.520  -6.622  -6.427
  125   HD21  LEU  17          HD21      LEU  17 -12.723  -4.227  -7.118
  126   HD22  LEU  17          HD22      LEU  17 -14.341  -4.686  -7.647
  127   HD23  LEU  17          HD23      LEU  17 -12.983  -5.780  -7.911
  128    H    VAL  18           H        VAL  18 -16.608  -4.059  -2.747
  129    HA   VAL  18           HA       VAL  18 -15.425  -1.622  -1.652
  130    HB   VAL  18           HB       VAL  18 -17.585  -0.734  -1.465
  131   HG11  VAL  18          HG11      VAL  18 -16.924  -0.946  -3.764
  132   HG12  VAL  18          HG12      VAL  18 -18.665  -1.190  -3.632
  133   HG13  VAL  18          HG13      VAL  18 -17.594  -2.577  -3.842
  134   HG21  VAL  18          HG21      VAL  18 -19.664  -2.032  -1.575
  135   HG22  VAL  18          HG22      VAL  18 -18.653  -2.540  -0.213
  136   HG23  VAL  18          HG23      VAL  18 -18.724  -3.521  -1.684
  137    H    THR  19           H        THR  19 -16.729  -4.624  -0.595
  138    HA   THR  19           HA       THR  19 -17.230  -3.741   2.078
  139    HB   THR  19           HB       THR  19 -17.095  -6.631   1.489
  140    HG1  THR  19           HG1      THR  19 -19.318  -6.234   0.503
  141   HG21  THR  19          HG21      THR  19 -17.918  -5.819   3.627
  142   HG22  THR  19          HG22      THR  19 -19.251  -6.542   2.724
  143   HG23  THR  19          HG23      THR  19 -19.088  -4.784   2.810
  144    H    ALA  20           H        ALA  20 -14.643  -5.346   0.386
  145    HA   ALA  20           HA       ALA  20 -13.300  -6.438   2.603
  146    HB1  ALA  20           HB1      ALA  20 -12.042  -5.541   0.043
  147    HB2  ALA  20           HB2      ALA  20 -12.963  -7.034   0.216
  148    HB3  ALA  20           HB3      ALA  20 -11.484  -6.799   1.148
  149    H    VAL  21           H        VAL  21 -13.117  -3.214   1.150
  150    HA   VAL  21           HA       VAL  21 -11.113  -2.348   3.049
  151    HB   VAL  21           HB       VAL  21 -11.023  -1.036   1.121
  152   HG11  VAL  21          HG11      VAL  21 -14.031  -0.743   1.234
  153   HG12  VAL  21          HG12      VAL  21 -13.129  -1.730   0.086
  154   HG13  VAL  21          HG13      VAL  21 -12.976   0.026   0.052
  155   HG21  VAL  21          HG21      VAL  21 -10.950   0.366   3.088
  156   HG22  VAL  21          HG22      VAL  21 -12.714   0.477   3.103
  157   HG23  VAL  21          HG23      VAL  21 -11.793   1.218   1.789
  158    H    LYS  22           H        LYS  22 -14.592  -2.256   2.749
  159    HA   LYS  22           HA       LYS  22 -15.212  -0.551   4.862
  160    HB2  LYS  22           HB2      LYS  22 -16.565  -2.385   3.091
  161    HB3  LYS  22           HB3      LYS  22 -17.314  -2.408   4.653
  162    HG2  LYS  22           HG2      LYS  22 -17.340   0.139   4.420
  163    HG3  LYS  22           HG3      LYS  22 -17.031  -0.202   2.725
  164    HD2  LYS  22           HD2      LYS  22 -19.360  -1.213   4.301
  165    HD3  LYS  22           HD3      LYS  22 -19.386   0.030   3.042
  166    HE2  LYS  22           HE2      LYS  22 -18.199  -1.785   1.662
  167    HE3  LYS  22           HE3      LYS  22 -18.881  -2.863   2.805
  168    HZ1  LYS  22           HZ1      LYS  22 -20.334  -2.636   0.895
  169    HZ2  LYS  22           HZ2      LYS  22 -20.435  -0.965   1.155
  170    HZ3  LYS  22           HZ3      LYS  22 -21.088  -2.040   2.286
  171    H    VAL  23           H        VAL  23 -14.696  -4.019   4.751
  172    HA   VAL  23           HA       VAL  23 -15.337  -4.456   7.521
  173    HB   VAL  23           HB       VAL  23 -15.630  -6.255   5.894
  174   HG11  VAL  23          HG11      VAL  23 -13.740  -7.376   4.867
  175   HG12  VAL  23          HG12      VAL  23 -12.627  -6.231   5.619
  176   HG13  VAL  23          HG13      VAL  23 -13.777  -5.671   4.398
  177   HG21  VAL  23          HG21      VAL  23 -13.456  -6.872   7.880
  178   HG22  VAL  23          HG22      VAL  23 -14.576  -8.035   7.164
  179   HG23  VAL  23          HG23      VAL  23 -15.178  -6.777   8.246
  180    H    ALA  24           H        ALA  24 -12.467  -3.933   5.615
  181    HA   ALA  24           HA       ALA  24 -10.589  -4.581   7.652
  182    HB1  ALA  24           HB1      ALA  24 -10.099  -4.654   5.237
  183    HB2  ALA  24           HB2      ALA  24  -8.933  -3.718   6.175
  184    HB3  ALA  24           HB3      ALA  24 -10.159  -2.892   5.216
  185    H    ASN  25           H        ASN  25 -12.657  -2.036   7.249
  186    HA   ASN  25           HA       ASN  25 -13.045  -0.154   8.331
  187    HB2  ASN  25           HB2      ASN  25 -12.283   0.101  10.460
  188    HB3  ASN  25           HB3      ASN  25 -11.975  -1.594  10.186
  189   HD21  ASN  25          HD21      ASN  25 -10.049   1.330   9.415
  190   HD22  ASN  25          HD22      ASN  25  -8.654   0.796  10.286
  191    H    LEU  26           H        LEU  26 -10.901  -0.484   6.120
  192    HA   LEU  26           HA       LEU  26  -9.481   2.018   6.443
  193    HB2  LEU  26           HB2      LEU  26  -9.312  -0.243   4.554
  194    HB3  LEU  26           HB3      LEU  26  -8.838   1.339   3.952
  195    HG   LEU  26           HG       LEU  26  -7.293   1.521   5.943
  196   HD11  LEU  26          HD11      LEU  26  -7.920  -1.410   6.152
  197   HD12  LEU  26          HD12      LEU  26  -8.268  -0.167   7.354
  198   HD13  LEU  26          HD13      LEU  26  -6.597  -0.585   6.975
  199   HD21  LEU  26          HD21      LEU  26  -5.592   0.038   4.918
  200   HD22  LEU  26          HD22      LEU  26  -6.415   1.097   3.774
  201   HD23  LEU  26          HD23      LEU  26  -6.860  -0.612   3.870
  202    H    VAL  27           H        VAL  27 -12.504   1.411   5.727
  203    HA   VAL  27           HA       VAL  27 -13.075   2.819   3.395
  204    HB   VAL  27           HB       VAL  27 -14.534   1.773   5.594
  205   HG11  VAL  27          HG11      VAL  27 -14.846   4.043   6.399
  206   HG12  VAL  27          HG12      VAL  27 -16.367   3.374   5.796
  207   HG13  VAL  27          HG13      VAL  27 -15.463   4.528   4.815
  208   HG21  VAL  27          HG21      VAL  27 -15.325   2.742   2.854
  209   HG22  VAL  27          HG22      VAL  27 -16.400   1.852   3.927
  210   HG23  VAL  27          HG23      VAL  27 -14.921   1.088   3.338
  211    H    GLU  28           H        GLU  28 -12.457   3.925   6.652
  212    HA   GLU  28           HA       GLU  28 -12.788   6.702   5.927
  213    HB2  GLU  28           HB2      GLU  28 -11.812   7.032   8.281
  214    HB3  GLU  28           HB3      GLU  28 -13.400   6.301   8.115
  215    HG2  GLU  28           HG2      GLU  28 -12.554   4.135   8.538
  216    HG3  GLU  28           HG3      GLU  28 -10.884   4.693   8.408
  217    H    ALA  29           H        ALA  29 -10.228   4.423   5.905
  218    HA   ALA  29           HA       ALA  29  -8.087   6.250   6.281
  219    HB1  ALA  29           HB1      ALA  29  -6.633   4.392   5.726
  220    HB2  ALA  29           HB2      ALA  29  -8.018   3.461   5.157
  221    HB3  ALA  29           HB3      ALA  29  -7.880   3.882   6.865
  222    H    LEU  30           H        LEU  30  -9.267   4.449   3.457
  223    HA   LEU  30           HA       LEU  30  -7.503   5.508   1.567
  224    HB2  LEU  30           HB2      LEU  30 -10.302   4.665   0.957
  225    HB3  LEU  30           HB3      LEU  30  -8.907   4.603  -0.095
  226    HG   LEU  30           HG       LEU  30  -9.453   2.868   2.298
  227   HD11  LEU  30          HD11      LEU  30  -9.209   2.253  -0.631
  228   HD12  LEU  30          HD12      LEU  30 -10.717   2.373   0.277
  229   HD13  LEU  30          HD13      LEU  30  -9.559   1.096   0.655
  230   HD21  LEU  30          HD21      LEU  30  -7.028   2.965   0.513
  231   HD22  LEU  30          HD22      LEU  30  -7.406   1.653   1.631
  232   HD23  LEU  30          HD23      LEU  30  -7.091   3.275   2.249
  233    H    GLN  31           H        GLN  31  -9.799   7.145   3.221
  234    HA   GLN  31           HA       GLN  31 -11.052   8.730   1.209
  235    HB2  GLN  31           HB2      GLN  31 -10.859   9.180   4.179
  236    HB3  GLN  31           HB3      GLN  31 -11.948  10.011   3.077
  237    HG2  GLN  31           HG2      GLN  31 -11.999   7.057   3.188
  238    HG3  GLN  31           HG3      GLN  31 -12.741   7.979   4.483
  239   HE21  GLN  31          HE21      GLN  31 -13.719   6.245   2.262
  240   HE22  GLN  31          HE22      GLN  31 -15.011   7.173   1.596
  241    H    SER  32           H        SER  32  -7.959   8.763   1.966
  242    HA   SER  32           HA       SER  32  -7.647  11.666   2.020
  243    HB2  SER  32           HB2      SER  32  -5.541   9.492   1.972
  244    HB3  SER  32           HB3      SER  32  -5.252  11.210   2.243
  245    HG   SER  32           HG       SER  32  -7.032   9.759   3.894
  246    HA   PRO  33           HA       PRO  33  -7.756  11.054  -2.470
  247    HB2  PRO  33           HB2      PRO  33  -8.719  13.500  -3.056
  248    HB3  PRO  33           HB3      PRO  33  -9.747  12.173  -2.507
  249    HG2  PRO  33           HG2      PRO  33  -8.805  14.578  -1.068
  250    HG3  PRO  33           HG3      PRO  33 -10.280  13.633  -0.830
  251    HD2  PRO  33           HD2      PRO  33  -7.959  13.525   0.736
  252    HD3  PRO  33           HD3      PRO  33  -9.303  12.371   0.765
  253    H    GLY  34           H        GLY  34  -5.964  13.210  -0.606
  254    HA2  GLY  34           HA2      GLY  34  -4.706  14.780  -2.586
  255    HA3  GLY  34           HA3      GLY  34  -4.076  14.461  -0.980
  256    HA   PRO  35           HA       PRO  35  -1.077  12.394  -3.530
  257    HB2  PRO  35           HB2      PRO  35   0.837  12.082  -1.643
  258    HB3  PRO  35           HB3      PRO  35   0.566  13.581  -2.531
  259    HG2  PRO  35           HG2      PRO  35  -0.056  12.908   0.254
  260    HG3  PRO  35           HG3      PRO  35   0.207  14.489  -0.484
  261    HD2  PRO  35           HD2      PRO  35  -2.279  13.329   0.199
  262    HD3  PRO  35           HD3      PRO  35  -2.003  14.811  -0.727
  263    H    PHE  36           H        PHE  36  -0.050  10.353  -3.652
  264    HA   PHE  36           HA       PHE  36  -1.268   8.285  -1.997
  265    HB2  PHE  36           HB2      PHE  36  -2.929   8.136  -3.496
  266    HB3  PHE  36           HB3      PHE  36  -2.103   9.162  -4.645
  267    HD1  PHE  36           HD1      PHE  36  -0.150   7.814  -5.983
  268    HD2  PHE  36           HD2      PHE  36  -3.610   6.110  -4.187
  269    HE1  PHE  36           HE1      PHE  36  -0.036   5.925  -7.555
  270    HE2  PHE  36           HE2      PHE  36  -3.508   4.231  -5.766
  271    HZ   PHE  36           HZ       PHE  36  -1.720   4.135  -7.452
  272    H    THR  37           H        THR  37   0.152   6.788  -1.519
  273    HA   THR  37           HA       THR  37   2.589   6.580  -3.154
  274    HB   THR  37           HB       THR  37   2.275   6.508  -0.138
  275    HG1  THR  37           HG1      THR  37   2.950   8.504  -0.295
  276   HG21  THR  37          HG21      THR  37   4.693   6.143  -0.046
  277   HG22  THR  37          HG22      THR  37   4.750   6.002  -1.804
  278   HG23  THR  37          HG23      THR  37   3.880   4.800  -0.849
  279    H    VAL  38           H        VAL  38   3.072   4.608  -3.897
  280    HA   VAL  38           HA       VAL  38   1.601   2.328  -2.725
  281    HB   VAL  38           HB       VAL  38   2.151   2.845  -5.649
  282   HG11  VAL  38          HG11      VAL  38   0.903   0.780  -6.085
  283   HG12  VAL  38          HG12      VAL  38   0.811   0.474  -4.350
  284   HG13  VAL  38          HG13      VAL  38   2.375   0.466  -5.164
  285   HG21  VAL  38          HG21      VAL  38  -0.428   2.694  -4.104
  286   HG22  VAL  38          HG22      VAL  38  -0.285   2.901  -5.850
  287   HG23  VAL  38          HG23      VAL  38   0.310   4.155  -4.760
  288    H    PHE  39           H        PHE  39   2.678   0.481  -2.369
  289    HA   PHE  39           HA       PHE  39   5.476   0.285  -3.231
  290    HB2  PHE  39           HB2      PHE  39   3.927  -1.506  -1.334
  291    HB3  PHE  39           HB3      PHE  39   5.651  -1.587  -1.663
  292    HD1  PHE  39           HD1      PHE  39   7.173   0.104  -0.792
  293    HD2  PHE  39           HD2      PHE  39   3.020   0.163   0.137
  294    HE1  PHE  39           HE1      PHE  39   7.612   1.664   1.059
  295    HE2  PHE  39           HE2      PHE  39   3.452   1.723   1.989
  296    HZ   PHE  39           HZ       PHE  39   5.752   2.474   2.451
  297    H    ALA  40           H        ALA  40   5.834  -0.777  -5.082
  298    HA   ALA  40           HA       ALA  40   3.662  -2.486  -6.103
  299    HB1  ALA  40           HB1      ALA  40   5.831  -1.057  -7.634
  300    HB2  ALA  40           HB2      ALA  40   4.169  -0.498  -7.446
  301    HB3  ALA  40           HB3      ALA  40   4.504  -1.987  -8.330
  302    HA   PRO  41           HA       PRO  41   6.646  -5.801  -5.564
  303    HB2  PRO  41           HB2      PRO  41   4.998  -7.804  -6.355
  304    HB3  PRO  41           HB3      PRO  41   4.933  -7.093  -4.736
  305    HG2  PRO  41           HG2      PRO  41   3.180  -6.584  -7.105
  306    HG3  PRO  41           HG3      PRO  41   2.740  -6.726  -5.393
  307    HD2  PRO  41           HD2      PRO  41   2.992  -4.338  -6.685
  308    HD3  PRO  41           HD3      PRO  41   3.283  -4.541  -4.946
  309    H    ASN  42           H        ASN  42   8.162  -6.221  -7.000
  310    HA   ASN  42           HA       ASN  42   7.689  -5.856  -9.812
  311    HB2  ASN  42           HB2      ASN  42   9.899  -5.382  -9.837
  312    HB3  ASN  42           HB3      ASN  42   9.878  -5.590  -8.108
  313   HD21  ASN  42          HD21      ASN  42  11.074  -7.108  -7.256
  314   HD22  ASN  42          HD22      ASN  42  11.972  -8.297  -8.126
  315    H    ASP  43           H        ASP  43   8.761  -7.577 -11.320
  316    HA   ASP  43           HA       ASP  43   7.224  -9.803 -11.568
  317    HB2  ASP  43           HB2      ASP  43   9.261  -8.813 -12.959
  318    HB3  ASP  43           HB3      ASP  43  10.106 -10.136 -12.192
  319    H    ASP  44           H        ASP  44  10.238  -9.540  -9.807
  320    HA   ASP  44           HA       ASP  44  10.462 -12.361  -9.290
  321    HB2  ASP  44           HB2      ASP  44  12.409 -10.751  -9.447
  322    HB3  ASP  44           HB3      ASP  44  11.930 -10.163  -7.864
  323    H    ALA  45           H        ALA  45   8.911  -9.727  -7.864
  324    HA   ALA  45           HA       ALA  45   8.657 -10.808  -5.212
  325    HB1  ALA  45           HB1      ALA  45   7.405  -8.513  -6.684
  326    HB2  ALA  45           HB2      ALA  45   8.651  -8.454  -5.435
  327    HB3  ALA  45           HB3      ALA  45   7.001  -8.918  -5.012
  328    H    PHE  46           H        PHE  46   6.703 -10.507  -8.128
  329    HA   PHE  46           HA       PHE  46   4.415 -11.892  -7.247
  330    HB2  PHE  46           HB2      PHE  46   4.760 -10.589  -9.408
  331    HB3  PHE  46           HB3      PHE  46   5.594 -12.004 -10.024
  332    HD1  PHE  46           HD1      PHE  46   2.353 -10.636  -9.017
  333    HD2  PHE  46           HD2      PHE  46   4.403 -14.010 -10.599
  334    HE1  PHE  46           HE1      PHE  46   0.202 -11.618  -9.700
  335    HE2  PHE  46           HE2      PHE  46   2.260 -14.998 -11.284
  336    HZ   PHE  46           HZ       PHE  46   0.156 -13.801 -10.835
  337    H    ALA  47           H        ALA  47   7.561 -12.831  -8.119
  338    HA   ALA  47           HA       ALA  47   7.015 -15.632  -8.516
  339    HB1  ALA  47           HB1      ALA  47   9.450 -15.845  -8.708
  340    HB2  ALA  47           HB2      ALA  47   9.623 -14.144  -8.264
  341    HB3  ALA  47           HB3      ALA  47   8.803 -14.588  -9.762
  342    H    LYS  48           H        LYS  48   7.872 -13.515  -5.924
  343    HA   LYS  48           HA       LYS  48   8.730 -15.355  -3.975
  344    HB2  LYS  48           HB2      LYS  48   7.041 -12.898  -3.591
  345    HB3  LYS  48           HB3      LYS  48   7.889 -13.799  -2.349
  346    HG2  LYS  48           HG2      LYS  48   9.334 -12.613  -4.638
  347    HG3  LYS  48           HG3      LYS  48   8.946 -11.686  -3.185
  348    HD2  LYS  48           HD2      LYS  48  10.239 -14.355  -2.961
  349    HD3  LYS  48           HD3      LYS  48  11.220 -12.925  -3.316
  350    HE2  LYS  48           HE2      LYS  48  10.321 -11.866  -1.271
  351    HE3  LYS  48           HE3      LYS  48   9.434 -13.349  -0.922
  352    HZ1  LYS  48           HZ1      LYS  48  11.519 -13.218   0.309
  353    HZ2  LYS  48           HZ2      LYS  48  12.386 -13.131  -1.138
  354    HZ3  LYS  48           HZ3      LYS  48  11.520 -14.531  -0.755
  355    H    LEU  49           H        LEU  49   5.613 -14.238  -5.032
  356    HA   LEU  49           HA       LEU  49   3.978 -14.681  -3.015
  357    HB2  LEU  49           HB2      LEU  49   3.384 -15.461  -5.831
  358    HB3  LEU  49           HB3      LEU  49   2.222 -15.346  -4.521
  359    HG   LEU  49           HG       LEU  49   3.911 -13.040  -5.445
  360   HD11  LEU  49          HD11      LEU  49   1.867 -12.171  -6.430
  361   HD12  LEU  49          HD12      LEU  49   1.031 -13.671  -6.024
  362   HD13  LEU  49          HD13      LEU  49   2.353 -13.686  -7.192
  363   HD21  LEU  49          HD21      LEU  49   1.634 -13.329  -3.511
  364   HD22  LEU  49          HD22      LEU  49   2.204 -11.779  -4.124
  365   HD23  LEU  49          HD23      LEU  49   3.284 -12.804  -3.174
  366    HA   PRO  50           HA       PRO  50   4.427 -19.029  -2.074
  367    HB2  PRO  50           HB2      PRO  50   4.105 -18.614   0.567
  368    HB3  PRO  50           HB3      PRO  50   5.627 -18.245  -0.246
  369    HG2  PRO  50           HG2      PRO  50   3.477 -16.407   0.676
  370    HG3  PRO  50           HG3      PRO  50   5.230 -16.156   0.631
  371    HD2  PRO  50           HD2      PRO  50   3.371 -15.213  -1.262
  372    HD3  PRO  50           HD3      PRO  50   5.141 -15.292  -1.484
  373    H    ASP  51           H        ASP  51   2.771 -19.537   0.353
  374    HA   ASP  51           HA       ASP  51   0.250 -20.074  -0.697
  375    HB2  ASP  51           HB2      ASP  51   1.069 -19.535   2.164
  376    HB3  ASP  51           HB3      ASP  51  -0.521 -20.124   1.699
  377    H    GLY  52           H        GLY  52   1.534 -17.202   0.847
  378    HA2  GLY  52           HA2      GLY  52   0.442 -15.301  -0.593
  379    HA3  GLY  52           HA3      GLY  52  -0.963 -15.781   0.345
  380    H    THR  53           H        THR  53   1.920 -13.919   0.290
  381    HA   THR  53           HA       THR  53   2.311 -13.370   3.000
  382    HB   THR  53           HB       THR  53   2.364 -11.400   0.716
  383    HG1  THR  53           HG1      THR  53   4.688 -11.935   0.781
  384   HG21  THR  53          HG21      THR  53   2.433 -10.253   2.824
  385   HG22  THR  53          HG22      THR  53   4.057 -10.236   2.131
  386   HG23  THR  53          HG23      THR  53   3.667 -11.358   3.434
  387    H    ILE  54           H        ILE  54   0.244 -11.774   0.624
  388    HA   ILE  54           HA       ILE  54  -0.962 -10.001   2.429
  389    HB   ILE  54           HB       ILE  54  -1.395 -10.785  -0.379
  390   HG12  ILE  54          HG12      ILE  54  -1.429  -8.287  -0.602
  391   HG13  ILE  54          HG13      ILE  54  -1.240  -8.180   1.144
  392   HG21  ILE  54          HG21      ILE  54  -3.559  -9.336   1.139
  393   HG22  ILE  54          HG22      ILE  54  -3.675 -10.984   0.523
  394   HG23  ILE  54          HG23      ILE  54  -3.511  -9.634  -0.600
  395   HD11  ILE  54          HD11      ILE  54   0.867  -7.827   0.087
  396   HD12  ILE  54          HD12      ILE  54   0.727  -9.350  -0.795
  397   HD13  ILE  54          HD13      ILE  54   0.903  -9.359   0.962
  398    H    THR  55           H        THR  55  -1.623 -13.292   1.595
  399    HA   THR  55           HA       THR  55  -4.212 -13.477   2.683
  400    HB   THR  55           HB       THR  55  -2.120 -15.616   2.514
  401    HG1  THR  55           HG1      THR  55  -4.191 -15.715   0.732
  402   HG21  THR  55          HG21      THR  55  -3.982 -16.065   4.106
  403   HG22  THR  55          HG22      THR  55  -3.928 -17.192   2.745
  404   HG23  THR  55          HG23      THR  55  -5.113 -15.884   2.760
  405    H    SER  56           H        SER  56  -1.006 -13.701   4.101
  406    HA   SER  56           HA       SER  56  -2.013 -14.409   6.684
  407    HB2  SER  56           HB2      SER  56   0.235 -15.129   5.999
  408    HB3  SER  56           HB3      SER  56   0.723 -13.446   5.812
  409    HG   SER  56           HG       SER  56  -0.192 -14.552   8.259
  410    H    LEU  57           H        LEU  57  -1.297 -11.612   4.901
  411    HA   LEU  57           HA       LEU  57  -1.257  -9.766   7.069
  412    HB2  LEU  57           HB2      LEU  57  -1.152  -9.635   4.166
  413    HB3  LEU  57           HB3      LEU  57  -1.741  -8.199   4.966
  414    HG   LEU  57           HG       LEU  57   0.326  -8.020   6.223
  415   HD11  LEU  57          HD11      LEU  57   2.228  -9.495   5.779
  416   HD12  LEU  57          HD12      LEU  57   1.203 -10.505   4.761
  417   HD13  LEU  57          HD13      LEU  57   0.872 -10.371   6.488
  418   HD21  LEU  57          HD21      LEU  57   1.917  -7.830   4.202
  419   HD22  LEU  57          HD22      LEU  57   0.468  -6.827   4.256
  420   HD23  LEU  57          HD23      LEU  57   0.498  -8.277   3.247
  421    H    VAL  58           H        VAL  58  -3.746 -11.122   5.015
  422    HA   VAL  58           HA       VAL  58  -5.759  -9.246   5.816
  423    HB   VAL  58           HB       VAL  58  -5.928 -10.690   3.745
  424   HG11  VAL  58          HG11      VAL  58  -6.993 -12.944   4.153
  425   HG12  VAL  58          HG12      VAL  58  -6.464 -12.789   5.838
  426   HG13  VAL  58          HG13      VAL  58  -5.272 -12.819   4.526
  427   HG21  VAL  58          HG21      VAL  58  -7.842  -9.450   4.665
  428   HG22  VAL  58          HG22      VAL  58  -8.253 -10.844   5.662
  429   HG23  VAL  58          HG23      VAL  58  -8.336 -10.961   3.904
  430    H    GLN  59           H        GLN  59  -4.425 -12.203   7.053
  431    HA   GLN  59           HA       GLN  59  -6.427 -12.688   9.002
  432    HB2  GLN  59           HB2      GLN  59  -3.528 -13.494   9.138
  433    HB3  GLN  59           HB3      GLN  59  -4.907 -14.327   9.838
  434    HG2  GLN  59           HG2      GLN  59  -4.821 -13.929   6.913
  435    HG3  GLN  59           HG3      GLN  59  -3.782 -15.149   7.607
  436   HE21  GLN  59          HE21      GLN  59  -5.890 -15.535   5.790
  437   HE22  GLN  59          HE22      GLN  59  -7.095 -16.517   6.553
  438    H    ASN  60           H        ASN  60  -3.675 -10.769   8.660
  439    HA   ASN  60           HA       ASN  60  -3.335 -10.004  11.386
  440    HB2  ASN  60           HB2      ASN  60  -1.947  -9.700   8.820
  441    HB3  ASN  60           HB3      ASN  60  -1.795  -8.338   9.896
  442   HD21  ASN  60          HD21      ASN  60  -1.037 -11.643   9.345
  443   HD22  ASN  60          HD22      ASN  60   0.108 -11.819  10.632
  444    HA   PRO  61           HA       PRO  61  -5.505  -6.131  11.913
  445    HB2  PRO  61           HB2      PRO  61  -2.847  -4.861  11.311
  446    HB3  PRO  61           HB3      PRO  61  -4.034  -4.423  12.543
  447    HG2  PRO  61           HG2      PRO  61  -1.921  -5.867  13.199
  448    HG3  PRO  61           HG3      PRO  61  -3.511  -6.238  13.888
  449    HD2  PRO  61           HD2      PRO  61  -1.942  -7.714  11.866
  450    HD3  PRO  61           HD3      PRO  61  -3.176  -8.306  12.992
  451    HA   PRO  62           HA       PRO  62  -7.525  -4.141   8.731
  452    HB2  PRO  62           HB2      PRO  62  -5.781  -1.760   9.087
  453    HB3  PRO  62           HB3      PRO  62  -7.524  -1.834   8.816
  454    HG2  PRO  62           HG2      PRO  62  -6.561  -1.545  11.270
  455    HG3  PRO  62           HG3      PRO  62  -7.965  -2.581  10.959
  456    HD2  PRO  62           HD2      PRO  62  -5.224  -3.315  11.708
  457    HD3  PRO  62           HD3      PRO  62  -6.723  -4.243  11.877
  458    H    GLN  63           H        GLN  63  -4.173  -4.427   8.037
  459    HA   GLN  63           HA       GLN  63  -3.652  -2.815   5.918
  460    HB2  GLN  63           HB2      GLN  63  -2.197  -4.642   7.048
  461    HB3  GLN  63           HB3      GLN  63  -2.704  -5.594   5.642
  462    HG2  GLN  63           HG2      GLN  63  -2.178  -3.459   4.343
  463    HG3  GLN  63           HG3      GLN  63  -1.186  -3.039   5.740
  464   HE21  GLN  63          HE21      GLN  63  -1.614  -4.940   2.996
  465   HE22  GLN  63          HE22      GLN  63  -0.070  -5.643   2.972
  466    H    LEU  64           H        LEU  64  -5.689  -5.601   5.751
  467    HA   LEU  64           HA       LEU  64  -5.757  -6.306   3.145
  468    HB2  LEU  64           HB2      LEU  64  -7.118  -7.460   4.653
  469    HB3  LEU  64           HB3      LEU  64  -7.958  -6.004   5.150
  470    HG   LEU  64           HG       LEU  64  -8.790  -5.885   2.756
  471   HD11  LEU  64          HD11      LEU  64  -8.953  -8.037   1.581
  472   HD12  LEU  64          HD12      LEU  64  -7.903  -8.759   2.798
  473   HD13  LEU  64          HD13      LEU  64  -7.290  -7.477   1.752
  474   HD21  LEU  64          HD21      LEU  64  -9.828  -8.218   4.335
  475   HD22  LEU  64          HD22      LEU  64 -10.717  -7.148   3.240
  476   HD23  LEU  64          HD23      LEU  64 -10.120  -6.535   4.790
  477    H    GLY  65           H        GLY  65  -7.566  -3.616   4.582
  478    HA2  GLY  65           HA2      GLY  65  -9.086  -2.845   2.406
  479    HA3  GLY  65           HA3      GLY  65  -8.540  -1.753   3.652
  480    H    ARG  66           H        ARG  66  -5.761  -2.093   3.079
  481    HA   ARG  66           HA       ARG  66  -5.473  -0.122   1.043
  482    HB2  ARG  66           HB2      ARG  66  -3.848   0.263   2.519
  483    HB3  ARG  66           HB3      ARG  66  -3.896  -1.384   3.123
  484    HG2  ARG  66           HG2      ARG  66  -2.688  -1.749   0.734
  485    HG3  ARG  66           HG3      ARG  66  -2.099  -0.141   1.182
  486    HD2  ARG  66           HD2      ARG  66  -1.962  -1.463   3.536
  487    HD3  ARG  66           HD3      ARG  66  -1.591  -2.766   2.398
  488    HE   ARG  66           HE       ARG  66   0.086  -0.934   1.520
  489   HH11  ARG  66          HH11      ARG  66  -0.711  -1.640   4.853
  490   HH12  ARG  66          HH12      ARG  66   0.870  -1.259   5.449
  491   HH21  ARG  66          HH21      ARG  66   2.172  -0.384   2.311
  492   HH22  ARG  66          HH22      ARG  66   2.506  -0.524   4.005
  493    H    ILE  67           H        ILE  67  -4.897  -3.523   1.385
  494    HA   ILE  67           HA       ILE  67  -3.273  -3.968  -0.843
  495    HB   ILE  67           HB       ILE  67  -5.180  -5.883   0.489
  496   HG12  ILE  67          HG12      ILE  67  -2.327  -5.162   1.182
  497   HG13  ILE  67          HG13      ILE  67  -3.748  -4.666   2.082
  498   HG21  ILE  67          HG21      ILE  67  -3.562  -7.580  -0.238
  499   HG22  ILE  67          HG22      ILE  67  -2.644  -6.330  -1.077
  500   HG23  ILE  67          HG23      ILE  67  -4.285  -6.717  -1.595
  501   HD11  ILE  67          HD11      ILE  67  -2.668  -6.485   3.201
  502   HD12  ILE  67          HD12      ILE  67  -2.768  -7.481   1.748
  503   HD13  ILE  67          HD13      ILE  67  -4.235  -7.014   2.591
  504    H    LEU  68           H        LEU  68  -6.778  -4.298  -0.441
  505    HA   LEU  68           HA       LEU  68  -7.470  -5.677  -2.669
  506    HB2  LEU  68           HB2      LEU  68  -8.903  -3.429  -1.315
  507    HB3  LEU  68           HB3      LEU  68  -9.603  -4.241  -2.693
  508    HG   LEU  68           HG       LEU  68 -10.580  -5.535  -1.170
  509   HD11  LEU  68          HD11      LEU  68  -9.318  -7.480  -0.447
  510   HD12  LEU  68          HD12      LEU  68  -7.813  -6.656  -0.856
  511   HD13  LEU  68          HD13      LEU  68  -8.963  -7.070  -2.126
  512   HD21  LEU  68          HD21      LEU  68  -9.989  -5.650   1.167
  513   HD22  LEU  68          HD22      LEU  68  -9.927  -3.969   0.618
  514   HD23  LEU  68          HD23      LEU  68  -8.431  -4.880   0.831
  515    H    LYS  69           H        LYS  69  -7.428  -2.098  -2.599
  516    HA   LYS  69           HA       LYS  69  -7.906  -2.162  -5.455
  517    HB2  LYS  69           HB2      LYS  69  -8.053  -0.017  -3.373
  518    HB3  LYS  69           HB3      LYS  69  -8.089   0.382  -5.087
  519    HG2  LYS  69           HG2      LYS  69 -10.075  -0.850  -5.430
  520    HG3  LYS  69           HG3      LYS  69  -9.956  -1.611  -3.847
  521    HD2  LYS  69           HD2      LYS  69 -10.502   0.409  -2.736
  522    HD3  LYS  69           HD3      LYS  69 -10.308   1.352  -4.217
  523    HE2  LYS  69           HE2      LYS  69 -12.692   0.835  -3.482
  524    HE3  LYS  69           HE3      LYS  69 -12.278   0.486  -5.158
  525    HZ1  LYS  69           HZ1      LYS  69 -13.553  -1.306  -4.148
  526    HZ2  LYS  69           HZ2      LYS  69 -12.364  -1.521  -2.967
  527    HZ3  LYS  69           HZ3      LYS  69 -12.010  -1.838  -4.590
  528    H    TYR  70           H        TYR  70  -5.549  -0.355  -3.391
  529    HA   TYR  70           HA       TYR  70  -3.943  -0.183  -5.859
  530    HB2  TYR  70           HB2      TYR  70  -4.215   1.957  -3.755
  531    HB3  TYR  70           HB3      TYR  70  -3.261   2.068  -5.230
  532    HD1  TYR  70           HD1      TYR  70  -4.529   1.892  -7.464
  533    HD2  TYR  70           HD2      TYR  70  -6.452   2.611  -3.737
  534    HE1  TYR  70           HE1      TYR  70  -6.497   2.767  -8.653
  535    HE2  TYR  70           HE2      TYR  70  -8.424   3.486  -4.914
  536    HH   TYR  70           HH       TYR  70  -8.878   3.101  -8.273
  537    H    HIS  71           H        HIS  71  -3.873  -1.238  -2.659
  538    HA   HIS  71           HA       HIS  71  -2.248  -1.818  -1.174
  539    HB2  HIS  71           HB2      HIS  71  -1.455  -3.095  -3.219
  540    HB3  HIS  71           HB3      HIS  71  -0.347  -1.766  -3.531
  541    HD1  HIS  71           HD1      HIS  71   1.888  -2.723  -3.019
  542    HD2  HIS  71           HD2      HIS  71  -0.913  -3.629  -0.081
  543    HE1  HIS  71           HE1      HIS  71   3.166  -3.902  -1.206
  544    HE2  HIS  71           HE2      HIS  71   1.413  -4.636   0.445
  545    H    VAL  72           H        VAL  72  -2.894   0.806  -1.275
  546    HA   VAL  72           HA       VAL  72  -0.456   2.380  -1.670
  547    HB   VAL  72           HB       VAL  72  -2.373   2.867  -3.159
  548   HG11  VAL  72          HG11      VAL  72  -4.380   3.936  -2.266
  549   HG12  VAL  72          HG12      VAL  72  -3.777   3.702  -0.626
  550   HG13  VAL  72          HG13      VAL  72  -4.181   2.305  -1.624
  551   HG21  VAL  72          HG21      VAL  72  -0.795   4.646  -2.681
  552   HG22  VAL  72          HG22      VAL  72  -1.703   5.091  -1.236
  553   HG23  VAL  72          HG23      VAL  72  -2.426   5.302  -2.830
  554    H    VAL  73           H        VAL  73  -0.035   4.129  -0.344
  555    HA   VAL  73           HA       VAL  73  -1.638   4.479   2.076
  556    HB   VAL  73           HB       VAL  73   0.301   3.454   2.987
  557   HG11  VAL  73          HG11      VAL  73   1.674   3.737   0.867
  558   HG12  VAL  73          HG12      VAL  73   2.543   3.893   2.393
  559   HG13  VAL  73          HG13      VAL  73   2.100   5.337   1.485
  560   HG21  VAL  73          HG21      VAL  73  -0.416   5.537   4.078
  561   HG22  VAL  73          HG22      VAL  73   0.795   6.411   3.121
  562   HG23  VAL  73          HG23      VAL  73   1.302   5.193   4.295
  563    H    ALA  74           H        ALA  74  -2.364   6.488   2.194
  564    HA   ALA  74           HA       ALA  74  -1.712   8.494   0.279
  565    HB1  ALA  74           HB1      ALA  74  -3.203   8.596   2.899
  566    HB2  ALA  74           HB2      ALA  74  -3.894   8.451   1.276
  567    HB3  ALA  74           HB3      ALA  74  -3.090   9.945   1.763
  568    H    GLY  75           H        GLY  75  -0.549  10.263   0.431
  569    HA2  GLY  75           HA2      GLY  75   0.709  11.848   1.831
  570    HA3  GLY  75           HA3      GLY  75   1.219  10.454   2.779
  571    H    ALA  76           H        ALA  76   1.774  12.350   0.032
  572    HA   ALA  76           HA       ALA  76   3.354  10.655  -1.533
  573    HB1  ALA  76           HB1      ALA  76   4.198  12.681  -2.567
  574    HB2  ALA  76           HB2      ALA  76   3.544  13.643  -1.241
  575    HB3  ALA  76           HB3      ALA  76   2.454  12.777  -2.322
  576    H    TYR  77           H        TYR  77   4.897   9.524  -0.571
  577    HA   TYR  77           HA       TYR  77   7.109  11.037   0.693
  578    HB2  TYR  77           HB2      TYR  77   6.838   8.099   1.158
  579    HB3  TYR  77           HB3      TYR  77   7.579   9.327   2.167
  580    HD1  TYR  77           HD1      TYR  77   5.751  11.103   3.131
  581    HD2  TYR  77           HD2      TYR  77   4.966   7.096   1.937
  582    HE1  TYR  77           HE1      TYR  77   3.785  11.047   4.613
  583    HE2  TYR  77           HE2      TYR  77   2.993   7.028   3.398
  584    HH   TYR  77           HH       TYR  77   1.612   9.772   4.744
  585    H    LYS  78           H        LYS  78   8.922  11.078  -0.582
  586    HA   LYS  78           HA       LYS  78   9.275   9.055  -2.598
  587    HB2  LYS  78           HB2      LYS  78  11.092  11.291  -1.715
  588    HB3  LYS  78           HB3      LYS  78  11.506  10.135  -2.973
  589    HG2  LYS  78           HG2      LYS  78  10.665  11.810  -4.272
  590    HG3  LYS  78           HG3      LYS  78   9.191  10.910  -3.955
  591    HD2  LYS  78           HD2      LYS  78   9.416  12.613  -1.801
  592    HD3  LYS  78           HD3      LYS  78   9.883  13.600  -3.192
  593    HE2  LYS  78           HE2      LYS  78   7.836  12.775  -4.348
  594    HE3  LYS  78           HE3      LYS  78   7.366  11.999  -2.837
  595    HZ1  LYS  78           HZ1      LYS  78   7.370  14.191  -1.770
  596    HZ2  LYS  78           HZ2      LYS  78   6.285  14.142  -3.068
  597    HZ3  LYS  78           HZ3      LYS  78   7.773  14.919  -3.245
  598    H    ALA  79           H        ALA  79  11.358   7.730  -2.553
  599    HA   ALA  79           HA       ALA  79  11.144   6.014  -0.407
  600    HB1  ALA  79           HB1      ALA  79  13.290   5.051  -1.114
  601    HB2  ALA  79           HB2      ALA  79  13.538   6.436  -2.180
  602    HB3  ALA  79           HB3      ALA  79  12.197   5.330  -2.471
  603    H    THR  80           H        THR  80  13.096   8.873  -0.786
  604    HA   THR  80           HA       THR  80  14.954   8.214   1.350
  605    HB   THR  80           HB       THR  80  15.715   9.643  -0.460
  606    HG1  THR  80           HG1      THR  80  16.699  10.085   1.516
  607   HG21  THR  80          HG21      THR  80  13.610  10.710  -1.066
  608   HG22  THR  80          HG22      THR  80  14.851  11.926  -0.764
  609   HG23  THR  80          HG23      THR  80  13.611  11.610   0.450
  610    H    ASP  81           H        ASP  81  11.845   9.754   1.184
  611    HA   ASP  81           HA       ASP  81  12.071  11.196   3.652
  612    HB2  ASP  81           HB2      ASP  81  10.404  11.693   1.809
  613    HB3  ASP  81           HB3      ASP  81   9.539  10.239   2.295
  614    H    LEU  82           H        LEU  82  10.781   8.097   2.607
  615    HA   LEU  82           HA       LEU  82   9.906   7.152   5.061
  616    HB2  LEU  82           HB2      LEU  82  10.993   5.704   2.660
  617    HB3  LEU  82           HB3      LEU  82  10.202   4.908   4.005
  618    HG   LEU  82           HG       LEU  82   8.373   5.114   2.735
  619   HD11  LEU  82          HD11      LEU  82   7.044   7.049   3.161
  620   HD12  LEU  82          HD12      LEU  82   8.482   7.990   3.555
  621   HD13  LEU  82          HD13      LEU  82   7.980   6.668   4.606
  622   HD21  LEU  82          HD21      LEU  82   9.580   7.469   1.341
  623   HD22  LEU  82          HD22      LEU  82   8.091   6.641   0.889
  624   HD23  LEU  82          HD23      LEU  82   9.632   5.796   0.790
  625    H    LYS  83           H        LYS  83  13.118   6.620   3.553
  626    HA   LYS  83           HA       LYS  83  14.213   5.226   5.647
  627    HB2  LYS  83           HB2      LYS  83  16.071   6.846   4.077
  628    HB3  LYS  83           HB3      LYS  83  15.933   5.128   4.335
  629    HG2  LYS  83           HG2      LYS  83  14.217   4.989   2.718
  630    HG3  LYS  83           HG3      LYS  83  14.475   6.696   2.356
  631    HD2  LYS  83           HD2      LYS  83  15.676   5.234   0.774
  632    HD3  LYS  83           HD3      LYS  83  16.750   6.292   1.686
  633    HE2  LYS  83           HE2      LYS  83  17.279   4.423   3.196
  634    HE3  LYS  83           HE3      LYS  83  16.223   3.373   2.256
  635    HZ1  LYS  83           HZ1      LYS  83  17.650   3.726   0.338
  636    HZ2  LYS  83           HZ2      LYS  83  18.538   3.096   1.629
  637    HZ3  LYS  83           HZ3      LYS  83  18.659   4.733   1.244
  638    H    ARG  84           H        ARG  84  13.919   8.670   5.038
  639    HA   ARG  84           HA       ARG  84  15.639   9.706   6.939
  640    HB2  ARG  84           HB2      ARG  84  13.671  10.525   5.214
  641    HB3  ARG  84           HB3      ARG  84  13.169  11.063   6.794
  642    HG2  ARG  84           HG2      ARG  84  15.987  11.457   6.401
  643    HG3  ARG  84           HG3      ARG  84  15.032  12.247   5.181
  644    HD2  ARG  84           HD2      ARG  84  13.624  12.998   7.257
  645    HD3  ARG  84           HD3      ARG  84  15.131  12.697   8.102
  646    HE   ARG  84           HE       ARG  84  15.588  14.313   5.824
  647   HH11  ARG  84          HH11      ARG  84  14.286  14.453   9.070
  648   HH12  ARG  84          HH12      ARG  84  14.618  16.144   9.266
  649   HH21  ARG  84          HH21      ARG  84  16.032  16.536   6.084
  650   HH22  ARG  84          HH22      ARG  84  15.616  17.329   7.570
  651    H    MET  85           H        MET  85  12.471   8.321   7.090
  652    HA   MET  85           HA       MET  85  12.248   8.593   9.963
  653    HB2  MET  85           HB2      MET  85  10.533   7.105   7.980
  654    HB3  MET  85           HB3      MET  85  10.163   7.300   9.681
  655    HG2  MET  85           HG2      MET  85  10.029   9.706   9.368
  656    HG3  MET  85           HG3      MET  85  10.424   9.506   7.666
  657    HE1  MET  85           HE1      MET  85   7.793   8.829  10.491
  658    HE2  MET  85           HE2      MET  85   8.103   7.203   9.881
  659    HE3  MET  85           HE3      MET  85   6.533   7.958   9.615
  660    H    GLY  86           H        GLY  86  12.922   6.013   7.566
  661    HA2  GLY  86           HA2      GLY  86  13.924   3.938   7.977
  662    HA3  GLY  86           HA3      GLY  86  14.023   4.341   9.685
  663    H    ILE  87           H        ILE  87  10.985   4.862   8.409
  664    HA   ILE  87           HA       ILE  87   9.833   2.296   8.629
  665    HB   ILE  87           HB       ILE  87  10.244   3.251  11.075
  666   HG12  ILE  87          HG12      ILE  87   7.474   2.229  10.480
  667   HG13  ILE  87          HG13      ILE  87   8.873   1.192  10.278
  668   HG21  ILE  87          HG21      ILE  87   9.202   5.386  10.662
  669   HG22  ILE  87          HG22      ILE  87   8.271   4.488  11.864
  670   HG23  ILE  87          HG23      ILE  87   7.705   4.579  10.192
  671   HD11  ILE  87          HD11      ILE  87   7.859   0.797  12.409
  672   HD12  ILE  87          HD12      ILE  87   7.966   2.509  12.816
  673   HD13  ILE  87          HD13      ILE  87   9.436   1.548  12.644
  674    H    VAL  88           H        VAL  88   7.549   2.413   8.167
  675    HA   VAL  88           HA       VAL  88   6.663   4.969   7.009
  676    HB   VAL  88           HB       VAL  88   5.610   3.561   5.171
  677   HG11  VAL  88          HG11      VAL  88   8.581   3.861   5.494
  678   HG12  VAL  88          HG12      VAL  88   7.457   4.887   4.592
  679   HG13  VAL  88          HG13      VAL  88   7.847   3.274   3.994
  680   HG21  VAL  88          HG21      VAL  88   5.844   1.386   6.302
  681   HG22  VAL  88          HG22      VAL  88   7.606   1.531   6.197
  682   HG23  VAL  88          HG23      VAL  88   6.634   1.389   4.721
  683    H    THR  89           H        THR  89   4.492   5.435   7.329
  684    HA   THR  89           HA       THR  89   3.011   3.392   8.832
  685    HB   THR  89           HB       THR  89   2.220   6.293   8.745
  686    HG1  THR  89           HG1      THR  89   4.109   6.541   9.757
  687   HG21  THR  89          HG21      THR  89   0.537   4.702   9.523
  688   HG22  THR  89          HG22      THR  89   1.124   5.670  10.880
  689   HG23  THR  89          HG23      THR  89   1.694   4.009  10.668
  690    H    SER  90           H        SER  90   1.269   2.546   8.042
  691    HA   SER  90           HA       SER  90   0.553   2.952   5.330
  692    HB2  SER  90           HB2      SER  90   0.423   0.754   6.221
  693    HB3  SER  90           HB3      SER  90  -0.567   1.267   7.589
  694    HG   SER  90           HG       SER  90  -1.826   0.236   5.973
  695    H    LEU  91           H        LEU  91  -1.695   3.327   4.607
  696    HA   LEU  91           HA       LEU  91  -2.904   5.666   5.473
  697    HB2  LEU  91           HB2      LEU  91  -3.227   4.109   3.367
  698    HB3  LEU  91           HB3      LEU  91  -4.549   3.454   4.305
  699    HG   LEU  91           HG       LEU  91  -5.793   5.374   4.200
  700   HD11  LEU  91          HD11      LEU  91  -3.186   6.778   3.763
  701   HD12  LEU  91          HD12      LEU  91  -4.329   6.975   5.095
  702   HD13  LEU  91          HD13      LEU  91  -4.743   7.557   3.481
  703   HD21  LEU  91          HD21      LEU  91  -5.583   4.439   1.994
  704   HD22  LEU  91          HD22      LEU  91  -4.124   5.388   1.704
  705   HD23  LEU  91          HD23      LEU  91  -5.677   6.200   1.902
  706    H    GLU  92           H        GLU  92  -3.164   2.381   6.524
  707    HA   GLU  92           HA       GLU  92  -5.588   2.671   8.086
  708    HB2  GLU  92           HB2      GLU  92  -5.130   0.384   8.793
  709    HB3  GLU  92           HB3      GLU  92  -4.848   0.511   7.049
  710    HG2  GLU  92           HG2      GLU  92  -2.413   0.976   7.730
  711    HG3  GLU  92           HG3      GLU  92  -2.877   0.282   9.276
  712    H    GLY  93           H        GLY  93  -2.257   3.167   8.458
  713    HA2  GLY  93           HA2      GLY  93  -1.370   4.494  10.241
  714    HA3  GLY  93           HA3      GLY  93  -2.559   3.781  11.310
  715    H    SER  94           H        SER  94  -1.168   1.472   9.250
  716    HA   SER  94           HA       SER  94   0.273   0.373  11.449
  717    HB2  SER  94           HB2      SER  94  -0.409  -0.652   8.717
  718    HB3  SER  94           HB3      SER  94   0.504  -1.562   9.897
  719    HG   SER  94           HG       SER  94  -2.010  -1.656   9.712
  720    H    THR  95           H        THR  95   2.355   0.658  11.784
  721    HA   THR  95           HA       THR  95   4.026   1.870   9.784
  722    HB   THR  95           HB       THR  95   5.607   1.199  11.985
  723    HG1  THR  95           HG1      THR  95   4.365   1.406  13.733
  724   HG21  THR  95          HG21      THR  95   5.659   3.308  10.746
  725   HG22  THR  95          HG22      THR  95   5.474   3.597  12.476
  726   HG23  THR  95          HG23      THR  95   4.081   3.740  11.406
  727    H    ILE  96           H        ILE  96   5.660   1.016   8.693
  728    HA   ILE  96           HA       ILE  96   6.480  -1.758   9.191
  729    HB   ILE  96           HB       ILE  96   5.636  -0.493   6.621
  730   HG12  ILE  96          HG12      ILE  96   4.991  -3.008   6.256
  731   HG13  ILE  96          HG13      ILE  96   5.210  -3.112   8.002
  732   HG21  ILE  96          HG21      ILE  96   6.852  -2.219   5.339
  733   HG22  ILE  96          HG22      ILE  96   7.743  -2.624   6.806
  734   HG23  ILE  96          HG23      ILE  96   7.901  -1.018   6.094
  735   HD11  ILE  96          HD11      ILE  96   2.884  -2.741   7.451
  736   HD12  ILE  96          HD12      ILE  96   3.306  -1.270   6.574
  737   HD13  ILE  96          HD13      ILE  96   3.541  -1.354   8.320
  738    HA   PRO  97           HA       PRO  97  10.303   0.435   9.570
  739    HB2  PRO  97           HB2      PRO  97  11.786  -2.054   9.458
  740    HB3  PRO  97           HB3      PRO  97  11.454  -1.026  10.852
  741    HG2  PRO  97           HG2      PRO  97  10.377  -3.516  10.492
  742    HG3  PRO  97           HG3      PRO  97   9.630  -2.241  11.472
  743    HD2  PRO  97           HD2      PRO  97   8.966  -3.161   8.712
  744    HD3  PRO  97           HD3      PRO  97   7.893  -2.606  10.013
  745    H    ILE  98           H        ILE  98  11.588   1.381   8.278
  746    HA   ILE  98           HA       ILE  98  12.091   0.302   5.625
  747    HB   ILE  98           HB       ILE  98  12.401   3.052   6.806
  748   HG12  ILE  98          HG12      ILE  98  10.106   2.390   6.364
  749   HG13  ILE  98          HG13      ILE  98  10.616   3.611   5.205
  750   HG21  ILE  98          HG21      ILE  98  13.061   2.121   4.023
  751   HG22  ILE  98          HG22      ILE  98  14.184   2.759   5.224
  752   HG23  ILE  98          HG23      ILE  98  12.952   3.807   4.525
  753   HD11  ILE  98          HD11      ILE  98  10.866   1.968   3.493
  754   HD12  ILE  98          HD12      ILE  98   9.276   1.769   4.241
  755   HD13  ILE  98          HD13      ILE  98  10.589   0.662   4.644
  756    H    HIS  99           H        HIS  99  13.967  -0.260   4.919
  757    HA   HIS  99           HA       HIS  99  16.396   0.347   6.451
  758    HB2  HIS  99           HB2      HIS  99  15.715  -2.273   5.141
  759    HB3  HIS  99           HB3      HIS  99  17.295  -1.873   5.781
  760    HD1  HIS  99           HD1      HIS  99  14.155  -3.397   6.710
  761    HD2  HIS  99           HD2      HIS  99  17.195  -1.372   8.693
  762    HE1  HIS  99           HE1      HIS  99  13.870  -3.964   9.143
  763    HE2  HIS  99           HE2      HIS  99  15.643  -2.629  10.336
  764    H    GLY 100           H        GLY 100  18.313  -0.486   4.763
  765    HA2  GLY 100           HA2      GLY 100  18.198  -0.124   2.117
  766    HA3  GLY 100           HA3      GLY 100  18.024   1.516   2.700
  767    H    ASP 101           H        ASP 101  20.132  -1.095   2.130
  768    HA   ASP 101           HA       ASP 101  22.450   0.186   3.315
  769    HB2  ASP 101           HB2      ASP 101  22.306  -2.286   3.162
  770    HB3  ASP 101           HB3      ASP 101  22.286  -2.164   1.406
  771    H    ASN 102           H        ASN 102  20.934  -0.212   0.206
  772    HA   ASN 102           HA       ASN 102  22.366   2.115  -0.774
  773    HB2  ASN 102           HB2      ASN 102  23.713   0.284  -1.636
  774    HB3  ASN 102           HB3      ASN 102  22.288  -0.493  -2.301
  775   HD21  ASN 102          HD21      ASN 102  24.582   2.066  -2.642
  776   HD22  ASN 102          HD22      ASN 102  24.125   2.546  -4.242
  777    HA   PRO 103           HA       PRO 103  18.177   1.722  -2.994
  778    HB2  PRO 103           HB2      PRO 103  16.807  -0.535  -3.116
  779    HB3  PRO 103           HB3      PRO 103  18.234  -0.331  -4.139
  780    HG2  PRO 103           HG2      PRO 103  17.971  -1.782  -1.538
  781    HG3  PRO 103           HG3      PRO 103  18.740  -2.321  -3.042
  782    HD2  PRO 103           HD2      PRO 103  20.108  -1.228  -0.954
  783    HD3  PRO 103           HD3      PRO 103  20.656  -1.152  -2.633
  784    H    LEU 104           H        LEU 104  15.825   1.666  -2.244
  785    HA   LEU 104           HA       LEU 104  15.624   1.833   0.600
  786    HB2  LEU 104           HB2      LEU 104  14.167   3.146  -0.940
  787    HB3  LEU 104           HB3      LEU 104  13.396   1.648  -1.406
  788    HG   LEU 104           HG       LEU 104  12.849   1.369   1.091
  789   HD11  LEU 104          HD11      LEU 104  13.495   4.306   0.990
  790   HD12  LEU 104          HD12      LEU 104  14.286   3.090   1.998
  791   HD13  LEU 104          HD13      LEU 104  12.598   3.517   2.285
  792   HD21  LEU 104          HD21      LEU 104  10.871   2.834   0.857
  793   HD22  LEU 104          HD22      LEU 104  11.152   1.769  -0.516
  794   HD23  LEU 104          HD23      LEU 104  11.581   3.479  -0.626
  795    H    GLU 105           H        GLU 105  14.376   0.448   1.938
  796    HA   GLU 105           HA       GLU 105  13.867  -2.235   0.909
  797    HB2  GLU 105           HB2      GLU 105  15.643  -1.703   3.304
  798    HB3  GLU 105           HB3      GLU 105  15.139  -3.288   2.732
  799    HG2  GLU 105           HG2      GLU 105  16.329  -2.839   0.615
  800    HG3  GLU 105           HG3      GLU 105  16.899  -1.325   1.282
  801    H    VAL 106           H        VAL 106  11.817  -2.447   1.381
  802    HA   VAL 106           HA       VAL 106  10.793  -1.295   3.872
  803    HB   VAL 106           HB       VAL 106   9.520  -0.186   2.386
  804   HG11  VAL 106          HG11      VAL 106  10.838  -0.873   0.478
  805   HG12  VAL 106          HG12      VAL 106   9.122  -0.877   0.065
  806   HG13  VAL 106          HG13      VAL 106   9.953  -2.398   0.392
  807   HG21  VAL 106          HG21      VAL 106   8.075  -2.788   1.944
  808   HG22  VAL 106          HG22      VAL 106   7.404  -1.154   1.892
  809   HG23  VAL 106          HG23      VAL 106   7.937  -1.840   3.429
  810    H    LYS 107           H        LYS 107   9.870  -2.551   5.359
  811    HA   LYS 107           HA       LYS 107   9.264  -4.337   6.533
  812    HB2  LYS 107           HB2      LYS 107   7.588  -5.898   5.560
  813    HB3  LYS 107           HB3      LYS 107   7.172  -4.204   5.456
  814    HG2  LYS 107           HG2      LYS 107   8.058  -4.360   3.037
  815    HG3  LYS 107           HG3      LYS 107   7.928  -6.096   3.275
  816    HD2  LYS 107           HD2      LYS 107   5.665  -4.165   3.664
  817    HD3  LYS 107           HD3      LYS 107   5.934  -5.130   2.210
  818    HE2  LYS 107           HE2      LYS 107   5.641  -6.291   4.960
  819    HE3  LYS 107           HE3      LYS 107   4.288  -6.084   3.850
  820    HZ1  LYS 107           HZ1      LYS 107   6.718  -7.713   3.295
  821    HZ2  LYS 107           HZ2      LYS 107   5.359  -7.588   2.290
  822    HZ3  LYS 107           HZ3      LYS 107   5.232  -8.336   3.805
  823    H    ASN 108           H        ASN 108   9.598  -6.178   3.554
  824    HA   ASN 108           HA       ASN 108  11.966  -7.506   4.569
  825    HB2  ASN 108           HB2      ASN 108  10.971  -9.757   4.217
  826    HB3  ASN 108           HB3      ASN 108  10.163  -8.872   5.505
  827   HD21  ASN 108          HD21      ASN 108   9.137 -11.090   4.021
  828   HD22  ASN 108          HD22      ASN 108   7.710 -10.544   3.208
  829    H    ALA 109           H        ALA 109  11.145  -5.684   2.449
  830    HA   ALA 109           HA       ALA 109  11.701  -7.302   0.060
  831    HB1  ALA 109           HB1      ALA 109   9.318  -6.642   0.233
  832    HB2  ALA 109           HB2      ALA 109  10.124  -5.957  -1.179
  833    HB3  ALA 109           HB3      ALA 109   9.818  -4.945   0.237
  834    H    THR 110           H        THR 110  12.544  -5.986  -1.762
  835    HA   THR 110           HA       THR 110  14.268  -3.835  -0.817
  836    HB   THR 110           HB       THR 110  14.996  -5.724  -3.049
  837    HG1  THR 110           HG1      THR 110  14.796  -7.010  -1.191
  838   HG21  THR 110          HG21      THR 110  16.627  -3.923  -1.242
  839   HG22  THR 110          HG22      THR 110  16.228  -3.618  -2.933
  840   HG23  THR 110          HG23      THR 110  17.281  -4.967  -2.504
  841    H    VAL 111           H        VAL 111  14.173  -2.026  -1.976
  842    HA   VAL 111           HA       VAL 111  12.262  -1.869  -4.112
  843    HB   VAL 111           HB       VAL 111  13.912   0.115  -2.626
  844   HG11  VAL 111          HG11      VAL 111  13.164   1.913  -4.076
  845   HG12  VAL 111          HG12      VAL 111  12.382   0.749  -5.145
  846   HG13  VAL 111          HG13      VAL 111  14.139   0.761  -4.987
  847   HG21  VAL 111          HG21      VAL 111  11.805  -0.497  -1.675
  848   HG22  VAL 111          HG22      VAL 111  10.982  -0.222  -3.210
  849   HG23  VAL 111          HG23      VAL 111  11.664   1.139  -2.322
  850    H    LEU 112           H        LEU 112  12.600  -2.018  -6.166
  851    HA   LEU 112           HA       LEU 112  15.275  -2.157  -7.259
  852    HB2  LEU 112           HB2      LEU 112  12.541  -2.582  -8.446
  853    HB3  LEU 112           HB3      LEU 112  14.008  -2.614  -9.406
  854    HG   LEU 112           HG       LEU 112  14.731  -4.456  -7.692
  855   HD11  LEU 112          HD11      LEU 112  11.795  -4.928  -7.594
  856   HD12  LEU 112          HD12      LEU 112  12.541  -3.796  -6.455
  857   HD13  LEU 112          HD13      LEU 112  13.075  -5.486  -6.488
  858   HD21  LEU 112          HD21      LEU 112  14.374  -4.834 -10.081
  859   HD22  LEU 112          HD22      LEU 112  12.636  -4.942  -9.811
  860   HD23  LEU 112          HD23      LEU 112  13.712  -6.159  -9.126
  861    H    ALA 113           H        ALA 113  12.385  -0.206  -7.351
  862    HA   ALA 113           HA       ALA 113  13.867   2.090  -8.314
  863    HB1  ALA 113           HB1      ALA 113  13.206   1.002 -10.403
  864    HB2  ALA 113           HB2      ALA 113  12.347   2.527 -10.186
  865    HB3  ALA 113           HB3      ALA 113  11.524   0.996  -9.873
  866    H    ALA 114           H        ALA 114  13.247   3.679  -6.967
  867    HA   ALA 114           HA       ALA 114  10.412   3.914  -6.338
  868    HB1  ALA 114           HB1      ALA 114  12.698   3.854  -4.401
  869    HB2  ALA 114           HB2      ALA 114  11.255   2.833  -4.410
  870    HB3  ALA 114           HB3      ALA 114  11.128   4.543  -3.991
  871    H    ASP 115           H        ASP 115  10.446   6.086  -4.784
  872    HA   ASP 115           HA       ASP 115  10.392   8.346  -4.900
  873    HB2  ASP 115           HB2      ASP 115  12.917   8.087  -6.564
  874    HB3  ASP 115           HB3      ASP 115  12.338   9.539  -5.742
  875    H    ILE 116           H        ILE 116   9.213   6.538  -6.789
  876    HA   ILE 116           HA       ILE 116   9.222   7.741  -9.391
  877    HB   ILE 116           HB       ILE 116   7.391   5.605  -8.292
  878   HG12  ILE 116          HG12      ILE 116  10.113   5.328  -9.558
  879   HG13  ILE 116          HG13      ILE 116   9.628   4.814  -7.957
  880   HG21  ILE 116          HG21      ILE 116   6.997   5.002 -10.559
  881   HG22  ILE 116          HG22      ILE 116   8.238   6.120 -11.127
  882   HG23  ILE 116          HG23      ILE 116   6.748   6.744 -10.410
  883   HD11  ILE 116          HD11      ILE 116   8.649   3.650 -10.552
  884   HD12  ILE 116          HD12      ILE 116   8.152   3.139  -8.939
  885   HD13  ILE 116          HD13      ILE 116   9.824   2.922  -9.456
  886    H    GLU 117           H        GLU 117   8.075   9.556  -9.645
  887    HA   GLU 117           HA       GLU 117   5.991  10.365  -7.930
  888    HB2  GLU 117           HB2      GLU 117   6.527  11.302 -10.747
  889    HB3  GLU 117           HB3      GLU 117   5.547  12.123  -9.538
  890    HG2  GLU 117           HG2      GLU 117   7.560  12.351  -8.123
  891    HG3  GLU 117           HG3      GLU 117   8.512  11.636  -9.423
  892    H    ALA 118           H        ALA 118   4.215   9.268  -7.705
  893    HA   ALA 118           HA       ALA 118   2.964   7.809  -9.854
  894    HB1  ALA 118           HB1      ALA 118   2.313   8.283  -6.976
  895    HB2  ALA 118           HB2      ALA 118   2.672   6.767  -7.807
  896    HB3  ALA 118           HB3      ALA 118   1.123   7.568  -8.063
  897    H    GLU 119           H        GLU 119   0.354   8.148  -9.701
  898    HA   GLU 119           HA       GLU 119  -0.255  10.442 -11.112
  899    HB2  GLU 119           HB2      GLU 119  -2.648  10.020 -10.280
  900    HB3  GLU 119           HB3      GLU 119  -1.866   8.760 -11.217
  901    HG2  GLU 119           HG2      GLU 119  -1.552   7.405  -9.339
  902    HG3  GLU 119           HG3      GLU 119  -1.855   8.726  -8.219
  903    H    ASN 120           H        ASN 120  -0.705   9.903  -7.620
  904    HA   ASN 120           HA       ASN 120  -0.821  12.815  -7.311
  905    HB2  ASN 120           HB2      ASN 120  -2.407  10.681  -5.933
  906    HB3  ASN 120           HB3      ASN 120  -2.154  12.248  -5.172
  907   HD21  ASN 120          HD21      ASN 120  -4.618  11.018  -6.100
  908   HD22  ASN 120          HD22      ASN 120  -5.292  12.106  -7.263
  909    H    GLY 121           H        GLY 121   0.980  10.073  -6.602
  910    HA2  GLY 121           HA2      GLY 121   2.396  11.564  -4.518
  911    HA3  GLY 121           HA3      GLY 121   1.783   9.983  -4.086
  912    H    ILE 122           H        ILE 122   3.129   8.402  -4.274
  913    HA   ILE 122           HA       ILE 122   5.312   8.465  -6.188
  914    HB   ILE 122           HB       ILE 122   5.604   8.476  -3.209
  915   HG12  ILE 122          HG12      ILE 122   5.517  10.632  -4.461
  916   HG13  ILE 122          HG13      ILE 122   6.998  10.379  -3.540
  917   HG21  ILE 122          HG21      ILE 122   7.665   7.715  -5.250
  918   HG22  ILE 122          HG22      ILE 122   7.025   6.714  -3.944
  919   HG23  ILE 122          HG23      ILE 122   8.023   8.121  -3.573
  920   HD11  ILE 122          HD11      ILE 122   8.294  10.210  -5.401
  921   HD12  ILE 122          HD12      ILE 122   7.026  11.266  -6.032
  922   HD13  ILE 122          HD13      ILE 122   6.988   9.530  -6.375
  923    H    ILE 123           H        ILE 123   6.181   6.488  -6.638
  924    HA   ILE 123           HA       ILE 123   4.908   4.143  -5.370
  925    HB   ILE 123           HB       ILE 123   5.680   4.600  -8.257
  926   HG12  ILE 123          HG12      ILE 123   3.088   3.547  -7.184
  927   HG13  ILE 123          HG13      ILE 123   3.424   5.269  -7.148
  928   HG21  ILE 123          HG21      ILE 123   4.852   1.985  -6.991
  929   HG22  ILE 123          HG22      ILE 123   6.458   2.363  -7.611
  930   HG23  ILE 123          HG23      ILE 123   5.085   2.276  -8.715
  931   HD11  ILE 123          HD11      ILE 123   3.780   5.190  -9.598
  932   HD12  ILE 123          HD12      ILE 123   2.144   4.774  -9.093
  933   HD13  ILE 123          HD13      ILE 123   3.270   3.501  -9.570
  934    H    HIS 124           H        HIS 124   6.191   2.372  -4.882
  935    HA   HIS 124           HA       HIS 124   9.060   2.574  -5.517
  936    HB2  HIS 124           HB2      HIS 124   8.323   1.351  -2.906
  937    HB3  HIS 124           HB3      HIS 124   9.800   2.155  -3.380
  938    HD1  HIS 124           HD1      HIS 124   6.970   2.589  -1.278
  939    HD2  HIS 124           HD2      HIS 124   9.289   5.147  -3.585
  940    HE1  HIS 124           HE1      HIS 124   6.589   4.881  -0.328
  941    HE2  HIS 124           HE2      HIS 124   7.853   6.434  -1.852
  942    H    VAL 125           H        VAL 125   9.557   0.885  -6.691
  943    HA   VAL 125           HA       VAL 125   7.947  -1.515  -6.721
  944    HB   VAL 125           HB       VAL 125  10.512  -0.816  -8.172
  945   HG11  VAL 125          HG11      VAL 125   9.874  -2.668  -9.701
  946   HG12  VAL 125          HG12      VAL 125   8.616  -3.127  -8.552
  947   HG13  VAL 125          HG13      VAL 125  10.316  -3.197  -8.079
  948   HG21  VAL 125          HG21      VAL 125   9.078  -0.412 -10.101
  949   HG22  VAL 125          HG22      VAL 125   8.659   0.650  -8.757
  950   HG23  VAL 125          HG23      VAL 125   7.652  -0.752  -9.121
  951    H    ILE 126           H        ILE 126   8.376  -3.380  -5.600
  952    HA   ILE 126           HA       ILE 126  11.027  -3.616  -4.346
  953    HB   ILE 126           HB       ILE 126  10.123  -4.511  -2.335
  954   HG12  ILE 126          HG12      ILE 126   7.997  -5.369  -3.715
  955   HG13  ILE 126          HG13      ILE 126   7.978  -5.191  -1.966
  956   HG21  ILE 126          HG21      ILE 126   8.776  -1.942  -3.116
  957   HG22  ILE 126          HG22      ILE 126  10.353  -2.145  -2.348
  958   HG23  ILE 126          HG23      ILE 126   8.883  -2.553  -1.463
  959   HD11  ILE 126          HD11      ILE 126   6.949  -3.154  -3.928
  960   HD12  ILE 126          HD12      ILE 126   6.878  -3.048  -2.167
  961   HD13  ILE 126          HD13      ILE 126   5.964  -4.296  -3.013
  962    H    ASP 127           H        ASP 127  11.546  -5.807  -3.682
  963    HA   ASP 127           HA       ASP 127  10.875  -7.577  -5.873
  964    HB2  ASP 127           HB2      ASP 127  13.009  -8.424  -5.649
  965    HB3  ASP 127           HB3      ASP 127  13.257  -6.785  -5.099
  966    H    THR 128           H        THR 128   9.483  -7.187  -3.085
  967    HA   THR 128           HA       THR 128   9.117 -10.019  -2.600
  968    HB   THR 128           HB       THR 128  10.208  -8.128  -0.542
  969    HG1  THR 128           HG1      THR 128  11.506  -9.611  -2.052
  970   HG21  THR 128          HG21      THR 128   8.910 -10.808  -0.121
  971   HG22  THR 128          HG22      THR 128   8.396  -9.248   0.533
  972   HG23  THR 128          HG23      THR 128   9.901  -9.982   1.083
  973    H    VAL 129           H        VAL 129   7.070 -10.411  -2.280
  974    HA   VAL 129           HA       VAL 129   5.134  -8.392  -1.715
  975    HB   VAL 129           HB       VAL 129   4.937 -11.415  -1.902
  976   HG11  VAL 129          HG11      VAL 129   3.173 -10.246  -0.522
  977   HG12  VAL 129          HG12      VAL 129   2.634 -11.277  -1.848
  978   HG13  VAL 129          HG13      VAL 129   2.635  -9.517  -2.035
  979   HG21  VAL 129          HG21      VAL 129   5.583 -10.312  -3.989
  980   HG22  VAL 129          HG22      VAL 129   4.192  -9.236  -3.857
  981   HG23  VAL 129          HG23      VAL 129   3.947 -10.966  -4.100
  Start of MODEL    8
    1    H1   MET   1           H1       MET   1 -18.327  15.350  -3.619
    2    H2   MET   1           H2       MET   1 -19.747  14.663  -4.220
    3    H3   MET   1           H3       MET   1 -19.094  16.032  -4.964
    4    HA   MET   1           HA       MET   1 -18.661  14.040  -6.248
    5    HB2  MET   1           HB2      MET   1 -16.230  15.275  -4.937
    6    HB3  MET   1           HB3      MET   1 -16.183  14.292  -6.396
    7    HG2  MET   1           HG2      MET   1 -17.595  15.931  -7.535
    8    HG3  MET   1           HG3      MET   1 -17.622  16.916  -6.076
    9    HE1  MET   1           HE1      MET   1 -15.381  18.933  -8.604
   10    HE2  MET   1           HE2      MET   1 -16.799  19.000  -7.560
   11    HE3  MET   1           HE3      MET   1 -16.793  17.944  -8.971
   12    H    ALA   2           H        ALA   2 -18.759  11.926  -6.015
   13    HA   ALA   2           HA       ALA   2 -18.123  10.661  -3.525
   14    HB1  ALA   2           HB1      ALA   2 -18.875   9.382  -6.149
   15    HB2  ALA   2           HB2      ALA   2 -20.020   9.945  -4.932
   16    HB3  ALA   2           HB3      ALA   2 -18.910   8.623  -4.556
   17    H    THR   3           H        THR   3 -16.148  10.157  -2.946
   18    HA   THR   3           HA       THR   3 -13.945   9.774  -4.678
   19    HB   THR   3           HB       THR   3 -14.236   8.649  -1.888
   20    HG1  THR   3           HG1      THR   3 -13.652  11.309  -2.730
   21   HG21  THR   3          HG21      THR   3 -11.810   9.769  -3.294
   22   HG22  THR   3          HG22      THR   3 -12.209   8.052  -3.221
   23   HG23  THR   3          HG23      THR   3 -11.861   8.938  -1.735
   24    H    ILE   4           H        ILE   4 -12.898   7.738  -5.244
   25    HA   ILE   4           HA       ILE   4 -14.503   5.703  -6.158
   26    HB   ILE   4           HB       ILE   4 -11.696   5.205  -5.159
   27   HG12  ILE   4          HG12      ILE   4 -11.381   5.645  -7.816
   28   HG13  ILE   4          HG13      ILE   4 -12.669   6.791  -7.465
   29   HG21  ILE   4          HG21      ILE   4 -11.652   3.535  -6.956
   30   HG22  ILE   4          HG22      ILE   4 -13.326   3.927  -7.349
   31   HG23  ILE   4          HG23      ILE   4 -12.932   3.211  -5.787
   32   HD11  ILE   4          HD11      ILE   4  -9.981   6.676  -6.117
   33   HD12  ILE   4          HD12      ILE   4 -11.269   7.815  -5.733
   34   HD13  ILE   4          HD13      ILE   4 -10.501   7.856  -7.319
   35    H    VAL   5           H        VAL   5 -12.928   5.972  -3.041
   36    HA   VAL   5           HA       VAL   5 -13.807   3.450  -2.038
   37    HB   VAL   5           HB       VAL   5 -11.810   4.304  -1.083
   38   HG11  VAL   5          HG11      VAL   5 -12.016   6.642  -1.596
   39   HG12  VAL   5          HG12      VAL   5 -11.706   6.454   0.133
   40   HG13  VAL   5          HG13      VAL   5 -13.341   6.806  -0.440
   41   HG21  VAL   5          HG21      VAL   5 -12.409   4.550   1.315
   42   HG22  VAL   5          HG22      VAL   5 -13.115   3.149   0.509
   43   HG23  VAL   5          HG23      VAL   5 -14.097   4.584   0.806
   44    H    ASP   6           H        ASP   6 -14.908   6.768  -1.807
   45    HA   ASP   6           HA       ASP   6 -16.819   6.637   0.168
   46    HB2  ASP   6           HB2      ASP   6 -16.186   8.691  -1.104
   47    HB3  ASP   6           HB3      ASP   6 -17.116   8.096  -2.466
   48    H    ILE   7           H        ILE   7 -17.153   5.999  -3.258
   49    HA   ILE   7           HA       ILE   7 -19.799   5.218  -3.360
   50    HB   ILE   7           HB       ILE   7 -17.567   4.081  -5.041
   51   HG12  ILE   7          HG12      ILE   7 -19.260   6.444  -5.767
   52   HG13  ILE   7          HG13      ILE   7 -17.865   6.669  -4.722
   53   HG21  ILE   7          HG21      ILE   7 -20.483   4.512  -5.716
   54   HG22  ILE   7          HG22      ILE   7 -19.813   2.962  -5.214
   55   HG23  ILE   7          HG23      ILE   7 -19.267   3.718  -6.715
   56   HD11  ILE   7          HD11      ILE   7 -17.392   7.116  -7.091
   57   HD12  ILE   7          HD12      ILE   7 -17.751   5.426  -7.454
   58   HD13  ILE   7          HD13      ILE   7 -16.388   5.836  -6.406
   59    H    ALA   8           H        ALA   8 -17.100   3.446  -2.034
   60    HA   ALA   8           HA       ALA   8 -18.177   0.838  -2.259
   61    HB1  ALA   8           HB1      ALA   8 -16.309   1.918  -0.149
   62    HB2  ALA   8           HB2      ALA   8 -15.828   1.233  -1.702
   63    HB3  ALA   8           HB3      ALA   8 -16.610   0.215  -0.494
   64    H    VAL   9           H        VAL   9 -18.515   3.362   0.203
   65    HA   VAL   9           HA       VAL   9 -20.281   1.875   1.885
   66    HB   VAL   9           HB       VAL   9 -20.139   4.885   1.615
   67   HG11  VAL   9          HG11      VAL   9 -20.941   3.126   3.929
   68   HG12  VAL   9          HG12      VAL   9 -22.026   4.090   2.927
   69   HG13  VAL   9          HG13      VAL   9 -20.840   4.886   3.961
   70   HG21  VAL   9          HG21      VAL   9 -18.431   3.066   3.305
   71   HG22  VAL   9          HG22      VAL   9 -18.464   4.827   3.411
   72   HG23  VAL   9          HG23      VAL   9 -17.893   4.043   1.938
   73    H    ASN  10           H        ASN  10 -20.609   3.367  -1.128
   74    HA   ASN  10           HA       ASN  10 -23.453   3.934  -0.880
   75    HB2  ASN  10           HB2      ASN  10 -22.036   5.628  -1.872
   76    HB3  ASN  10           HB3      ASN  10 -21.495   4.471  -3.046
   77   HD21  ASN  10          HD21      ASN  10 -22.074   5.866  -4.639
   78   HD22  ASN  10          HD22      ASN  10 -23.711   6.090  -5.085
   79    H    THR  11           H        THR  11 -21.293   1.654  -2.286
   80    HA   THR  11           HA       THR  11 -22.764   0.793  -4.467
   81    HB   THR  11           HB       THR  11 -21.568  -1.447  -4.055
   82    HG1  THR  11           HG1      THR  11 -20.994  -0.260  -1.782
   83   HG21  THR  11          HG21      THR  11 -19.994   1.081  -4.506
   84   HG22  THR  11          HG22      THR  11 -20.900   0.194  -5.731
   85   HG23  THR  11          HG23      THR  11 -19.490  -0.544  -4.969
   86    HA   PRO  12           HA       PRO  12 -26.071  -1.439  -2.466
   87    HB2  PRO  12           HB2      PRO  12 -26.871  -2.341  -5.107
   88    HB3  PRO  12           HB3      PRO  12 -27.674  -1.183  -4.050
   89    HG2  PRO  12           HG2      PRO  12 -26.485  -0.475  -6.385
   90    HG3  PRO  12           HG3      PRO  12 -26.626   0.616  -4.997
   91    HD2  PRO  12           HD2      PRO  12 -24.292  -1.030  -5.886
   92    HD3  PRO  12           HD3      PRO  12 -24.336   0.648  -5.315
   93    H    GLY  13           H        GLY  13 -23.979  -2.802  -1.940
   94    HA2  GLY  13           HA2      GLY  13 -23.416  -4.988  -1.449
   95    HA3  GLY  13           HA3      GLY  13 -24.800  -5.513  -2.397
   96    H    PHE  14           H        PHE  14 -21.974  -3.588  -3.332
   97    HA   PHE  14           HA       PHE  14 -21.545  -4.965  -5.752
   98    HB2  PHE  14           HB2      PHE  14 -20.486  -2.702  -4.586
   99    HB3  PHE  14           HB3      PHE  14 -19.120  -3.804  -4.593
  100    HD1  PHE  14           HD1      PHE  14 -21.836  -2.662  -6.887
  101    HD2  PHE  14           HD2      PHE  14 -17.758  -3.781  -6.427
  102    HE1  PHE  14           HE1      PHE  14 -21.427  -2.125  -9.252
  103    HE2  PHE  14           HE2      PHE  14 -17.341  -3.245  -8.791
  104    HZ   PHE  14           HZ       PHE  14 -19.176  -2.417 -10.206
  105    H    SER  15           H        SER  15 -19.070  -5.738  -6.086
  106    HA   SER  15           HA       SER  15 -18.804  -8.285  -5.015
  107    HB2  SER  15           HB2      SER  15 -16.579  -6.503  -6.037
  108    HB3  SER  15           HB3      SER  15 -16.581  -8.266  -5.992
  109    HG   SER  15           HG       SER  15 -18.658  -7.860  -7.329
  110    H    THR  16           H        THR  16 -17.174  -9.124  -3.587
  111    HA   THR  16           HA       THR  16 -17.215  -7.930  -1.063
  112    HB   THR  16           HB       THR  16 -15.224 -10.017  -1.963
  113    HG1  THR  16           HG1      THR  16 -17.944 -10.341  -1.144
  114   HG21  THR  16          HG21      THR  16 -15.474 -10.824   0.353
  115   HG22  THR  16          HG22      THR  16 -16.559  -9.477   0.694
  116   HG23  THR  16          HG23      THR  16 -14.868  -9.169   0.296
  117    H    LEU  17           H        LEU  17 -15.110  -7.423  -3.717
  118    HA   LEU  17           HA       LEU  17 -12.783  -6.528  -2.520
  119    HB2  LEU  17           HB2      LEU  17 -14.213  -5.637  -5.006
  120    HB3  LEU  17           HB3      LEU  17 -12.712  -4.887  -4.504
  121    HG   LEU  17           HG       LEU  17 -11.650  -7.174  -4.586
  122   HD11  LEU  17          HD11      LEU  17 -13.680  -8.518  -4.457
  123   HD12  LEU  17          HD12      LEU  17 -12.756  -8.893  -5.910
  124   HD13  LEU  17          HD13      LEU  17 -14.203  -7.890  -6.020
  125   HD21  LEU  17          HD21      LEU  17 -12.800  -6.080  -7.147
  126   HD22  LEU  17          HD22      LEU  17 -11.403  -7.146  -7.011
  127   HD23  LEU  17          HD23      LEU  17 -11.335  -5.516  -6.342
  128    H    VAL  18           H        VAL  18 -15.930  -4.915  -2.764
  129    HA   VAL  18           HA       VAL  18 -14.817  -2.411  -1.796
  130    HB   VAL  18           HB       VAL  18 -16.964  -1.456  -1.909
  131   HG11  VAL  18          HG11      VAL  18 -17.819  -2.070  -4.138
  132   HG12  VAL  18          HG12      VAL  18 -16.768  -3.487  -4.118
  133   HG13  VAL  18          HG13      VAL  18 -16.067  -1.868  -4.093
  134   HG21  VAL  18          HG21      VAL  18 -19.064  -2.746  -2.217
  135   HG22  VAL  18          HG22      VAL  18 -18.288  -3.047  -0.653
  136   HG23  VAL  18          HG23      VAL  18 -18.149  -4.233  -1.960
  137    H    THR  19           H        THR  19 -16.587  -5.165  -0.590
  138    HA   THR  19           HA       THR  19 -17.201  -4.074   1.930
  139    HB   THR  19           HB       THR  19 -16.898  -7.001   1.655
  140    HG1  THR  19           HG1      THR  19 -19.185  -6.506   0.527
  141   HG21  THR  19          HG21      THR  19 -19.157  -6.885   2.713
  142   HG22  THR  19          HG22      THR  19 -19.038  -5.122   2.671
  143   HG23  THR  19          HG23      THR  19 -17.908  -6.059   3.645
  144    H    ALA  20           H        ALA  20 -14.405  -5.614   0.612
  145    HA   ALA  20           HA       ALA  20 -13.199  -6.501   3.008
  146    HB1  ALA  20           HB1      ALA  20 -12.685  -7.275   0.710
  147    HB2  ALA  20           HB2      ALA  20 -11.281  -6.908   1.711
  148    HB3  ALA  20           HB3      ALA  20 -11.806  -5.766   0.472
  149    H    VAL  21           H        VAL  21 -12.909  -3.406   1.258
  150    HA   VAL  21           HA       VAL  21 -11.132  -2.347   3.282
  151    HB   VAL  21           HB       VAL  21 -10.792  -1.207   1.289
  152   HG11  VAL  21          HG11      VAL  21 -12.569  -0.328  -0.160
  153   HG12  VAL  21          HG12      VAL  21 -13.784  -0.994   0.931
  154   HG13  VAL  21          HG13      VAL  21 -12.706  -2.074   0.048
  155   HG21  VAL  21          HG21      VAL  21 -11.710   1.081   1.582
  156   HG22  VAL  21          HG22      VAL  21 -11.017   0.408   3.061
  157   HG23  VAL  21          HG23      VAL  21 -12.773   0.446   2.846
  158    H    LYS  22           H        LYS  22 -14.533  -2.283   2.565
  159    HA   LYS  22           HA       LYS  22 -15.479  -0.464   4.385
  160    HB2  LYS  22           HB2      LYS  22 -16.418  -2.784   2.836
  161    HB3  LYS  22           HB3      LYS  22 -17.506  -2.254   4.072
  162    HG2  LYS  22           HG2      LYS  22 -17.807  -0.198   3.068
  163    HG3  LYS  22           HG3      LYS  22 -16.387  -0.382   2.090
  164    HD2  LYS  22           HD2      LYS  22 -18.144  -0.728   0.684
  165    HD3  LYS  22           HD3      LYS  22 -17.495  -2.308   1.109
  166    HE2  LYS  22           HE2      LYS  22 -20.082  -1.569   1.244
  167    HE3  LYS  22           HE3      LYS  22 -19.318  -2.953   1.977
  168    HZ1  LYS  22           HZ1      LYS  22 -19.108  -1.747   4.022
  169    HZ2  LYS  22           HZ2      LYS  22 -20.714  -1.644   3.515
  170    HZ3  LYS  22           HZ3      LYS  22 -19.676  -0.328   3.302
  171    H    VAL  23           H        VAL  23 -14.837  -3.902   4.737
  172    HA   VAL  23           HA       VAL  23 -15.719  -4.026   7.473
  173    HB   VAL  23           HB       VAL  23 -15.836  -6.020   6.062
  174   HG11  VAL  23          HG11      VAL  23 -13.860  -7.173   5.294
  175   HG12  VAL  23          HG12      VAL  23 -12.820  -5.959   6.045
  176   HG13  VAL  23          HG13      VAL  23 -13.851  -5.511   4.677
  177   HG21  VAL  23          HG21      VAL  23 -13.812  -6.322   8.268
  178   HG22  VAL  23          HG22      VAL  23 -14.845  -7.597   7.617
  179   HG23  VAL  23          HG23      VAL  23 -15.557  -6.238   8.491
  180    H    ALA  24           H        ALA  24 -12.705  -3.638   5.758
  181    HA   ALA  24           HA       ALA  24 -10.992  -4.058   7.983
  182    HB1  ALA  24           HB1      ALA  24  -9.227  -3.392   6.577
  183    HB2  ALA  24           HB2      ALA  24 -10.325  -2.543   5.493
  184    HB3  ALA  24           HB3      ALA  24 -10.362  -4.303   5.581
  185    H    ASN  25           H        ASN  25 -13.077  -1.610   7.416
  186    HA   ASN  25           HA       ASN  25 -13.457   0.404   8.267
  187    HB2  ASN  25           HB2      ASN  25 -12.735   0.847  10.373
  188    HB3  ASN  25           HB3      ASN  25 -12.321  -0.850  10.266
  189   HD21  ASN  25          HD21      ASN  25 -10.914   2.399   9.962
  190   HD22  ASN  25          HD22      ASN  25  -9.324   1.929  10.462
  191    H    LEU  26           H        LEU  26 -11.213  -0.141   6.139
  192    HA   LEU  26           HA       LEU  26  -9.834   2.406   6.302
  193    HB2  LEU  26           HB2      LEU  26  -9.521  -0.002   4.602
  194    HB3  LEU  26           HB3      LEU  26  -8.963   1.539   3.970
  195    HG   LEU  26           HG       LEU  26  -7.601   1.798   6.076
  196   HD11  LEU  26          HD11      LEU  26  -8.655   0.293   7.550
  197   HD12  LEU  26          HD12      LEU  26  -7.057  -0.371   7.208
  198   HD13  LEU  26          HD13      LEU  26  -8.479  -1.047   6.419
  199   HD21  LEU  26          HD21      LEU  26  -7.027  -0.475   4.189
  200   HD22  LEU  26          HD22      LEU  26  -5.849   0.225   5.304
  201   HD23  LEU  26          HD23      LEU  26  -6.542   1.215   4.020
  202    H    VAL  27           H        VAL  27 -12.792   1.635   5.430
  203    HA   VAL  27           HA       VAL  27 -13.216   2.827   2.948
  204    HB   VAL  27           HB       VAL  27 -14.816   1.932   5.119
  205   HG11  VAL  27          HG11      VAL  27 -15.746   4.579   4.027
  206   HG12  VAL  27          HG12      VAL  27 -15.228   4.264   5.685
  207   HG13  VAL  27          HG13      VAL  27 -16.686   3.495   5.053
  208   HG21  VAL  27          HG21      VAL  27 -14.959   1.098   2.852
  209   HG22  VAL  27          HG22      VAL  27 -15.500   2.685   2.279
  210   HG23  VAL  27          HG23      VAL  27 -16.528   1.735   3.354
  211    H    GLU  28           H        GLU  28 -12.892   4.227   6.145
  212    HA   GLU  28           HA       GLU  28 -13.197   6.917   5.143
  213    HB2  GLU  28           HB2      GLU  28 -12.433   7.489   7.530
  214    HB3  GLU  28           HB3      GLU  28 -13.996   6.723   7.296
  215    HG2  GLU  28           HG2      GLU  28 -13.100   4.587   7.944
  216    HG3  GLU  28           HG3      GLU  28 -11.475   5.269   8.060
  217    H    ALA  29           H        ALA  29 -10.602   4.710   5.577
  218    HA   ALA  29           HA       ALA  29  -8.530   6.609   5.924
  219    HB1  ALA  29           HB1      ALA  29  -8.379   4.248   6.666
  220    HB2  ALA  29           HB2      ALA  29  -7.008   4.771   5.691
  221    HB3  ALA  29           HB3      ALA  29  -8.265   3.765   4.972
  222    H    LEU  30           H        LEU  30  -9.429   4.551   3.175
  223    HA   LEU  30           HA       LEU  30  -7.674   5.538   1.274
  224    HB2  LEU  30           HB2      LEU  30 -10.475   4.639   0.693
  225    HB3  LEU  30           HB3      LEU  30  -9.102   4.594  -0.390
  226    HG   LEU  30           HG       LEU  30  -9.575   2.882   2.035
  227   HD11  LEU  30          HD11      LEU  30  -9.254   2.240  -0.885
  228   HD12  LEU  30          HD12      LEU  30 -10.771   2.251   0.011
  229   HD13  LEU  30          HD13      LEU  30  -9.519   1.071   0.409
  230   HD21  LEU  30          HD21      LEU  30  -7.235   3.456   2.004
  231   HD22  LEU  30          HD22      LEU  30  -7.125   3.045   0.292
  232   HD23  LEU  30          HD23      LEU  30  -7.448   1.785   1.485
  233    H    GLN  31           H        GLN  31 -10.305   7.152   2.651
  234    HA   GLN  31           HA       GLN  31 -11.195   8.748   0.486
  235    HB2  GLN  31           HB2      GLN  31 -11.325   9.389   3.424
  236    HB3  GLN  31           HB3      GLN  31 -12.314  10.084   2.147
  237    HG2  GLN  31           HG2      GLN  31 -12.334   7.149   2.513
  238    HG3  GLN  31           HG3      GLN  31 -13.188   8.156   3.669
  239   HE21  GLN  31          HE21      GLN  31 -13.988   6.219   1.566
  240   HE22  GLN  31          HE22      GLN  31 -15.242   7.055   0.723
  241    H    SER  32           H        SER  32  -8.255   8.751   1.970
  242    HA   SER  32           HA       SER  32  -7.576  11.337   2.574
  243    HB2  SER  32           HB2      SER  32  -5.256  10.613   1.706
  244    HB3  SER  32           HB3      SER  32  -5.980   9.677   3.015
  245    HG   SER  32           HG       SER  32  -6.283   8.978   0.286
  246    HA   PRO  33           HA       PRO  33  -8.223  13.225  -1.423
  247    HB2  PRO  33           HB2      PRO  33  -8.055  15.773  -0.590
  248    HB3  PRO  33           HB3      PRO  33  -9.471  14.769  -0.264
  249    HG2  PRO  33           HG2      PRO  33  -7.219  15.521   1.541
  250    HG3  PRO  33           HG3      PRO  33  -8.943  15.353   1.908
  251    HD2  PRO  33           HD2      PRO  33  -7.024  13.454   2.469
  252    HD3  PRO  33           HD3      PRO  33  -8.756  13.119   2.294
  253    H    GLY  34           H        GLY  34  -5.466  13.505   0.597
  254    HA2  GLY  34           HA2      GLY  34  -4.018  15.346  -1.055
  255    HA3  GLY  34           HA3      GLY  34  -3.394  14.469   0.327
  256    HA   PRO  35           HA       PRO  35  -1.268  12.553  -3.131
  257    HB2  PRO  35           HB2      PRO  35   0.976  11.982  -1.607
  258    HB3  PRO  35           HB3      PRO  35   0.712  13.454  -2.537
  259    HG2  PRO  35           HG2      PRO  35   0.818  13.182   0.308
  260    HG3  PRO  35           HG3      PRO  35   0.547  14.636  -0.627
  261    HD2  PRO  35           HD2      PRO  35  -1.365  12.926   0.785
  262    HD3  PRO  35           HD3      PRO  35  -1.518  14.605   0.248
  263    H    PHE  36           H        PHE  36  -0.190  10.449  -3.488
  264    HA   PHE  36           HA       PHE  36  -1.082   8.360  -1.638
  265    HB2  PHE  36           HB2      PHE  36  -1.694   8.568  -4.584
  266    HB3  PHE  36           HB3      PHE  36  -1.671   7.015  -3.758
  267    HD1  PHE  36           HD1      PHE  36  -3.329   6.480  -2.057
  268    HD2  PHE  36           HD2      PHE  36  -3.475  10.148  -4.206
  269    HE1  PHE  36           HE1      PHE  36  -5.653   6.811  -1.326
  270    HE2  PHE  36           HE2      PHE  36  -5.799  10.485  -3.478
  271    HZ   PHE  36           HZ       PHE  36  -6.891   8.814  -2.037
  272    H    THR  37           H        THR  37   0.541   7.101  -1.116
  273    HA   THR  37           HA       THR  37   2.821   6.852  -2.938
  274    HB   THR  37           HB       THR  37   2.553   6.472   0.048
  275    HG1  THR  37           HG1      THR  37   3.362   8.413  -0.007
  276   HG21  THR  37          HG21      THR  37   4.914   5.806   0.074
  277   HG22  THR  37          HG22      THR  37   4.937   5.799  -1.690
  278   HG23  THR  37          HG23      THR  37   3.935   4.639  -0.818
  279    H    VAL  38           H        VAL  38   2.565   5.183  -4.241
  280    HA   VAL  38           HA       VAL  38   1.190   2.785  -3.289
  281    HB   VAL  38           HB       VAL  38   2.111   3.420  -6.094
  282   HG11  VAL  38          HG11      VAL  38   0.155   1.374  -5.061
  283   HG12  VAL  38          HG12      VAL  38   1.776   1.046  -5.675
  284   HG13  VAL  38          HG13      VAL  38   0.533   1.676  -6.757
  285   HG21  VAL  38          HG21      VAL  38  -0.618   3.810  -4.873
  286   HG22  VAL  38          HG22      VAL  38  -0.207   4.030  -6.574
  287   HG23  VAL  38          HG23      VAL  38   0.496   5.091  -5.352
  288    H    PHE  39           H        PHE  39   2.358   1.146  -2.554
  289    HA   PHE  39           HA       PHE  39   5.093   0.747  -3.445
  290    HB2  PHE  39           HB2      PHE  39   3.339  -0.889  -1.584
  291    HB3  PHE  39           HB3      PHE  39   5.024  -1.248  -1.935
  292    HD1  PHE  39           HD1      PHE  39   6.806   0.191  -1.113
  293    HD2  PHE  39           HD2      PHE  39   2.737   0.884  -0.085
  294    HE1  PHE  39           HE1      PHE  39   7.525   1.644   0.736
  295    HE2  PHE  39           HE2      PHE  39   3.450   2.338   1.763
  296    HZ   PHE  39           HZ       PHE  39   5.845   2.724   2.176
  297    H    ALA  40           H        ALA  40   5.386  -0.146  -5.385
  298    HA   ALA  40           HA       ALA  40   3.123  -1.546  -6.603
  299    HB1  ALA  40           HB1      ALA  40   4.234  -1.103  -8.731
  300    HB2  ALA  40           HB2      ALA  40   5.608  -0.406  -7.875
  301    HB3  ALA  40           HB3      ALA  40   4.032   0.380  -7.800
  302    HA   PRO  41           HA       PRO  41   5.405  -5.315  -6.138
  303    HB2  PRO  41           HB2      PRO  41   3.619  -6.985  -7.218
  304    HB3  PRO  41           HB3      PRO  41   3.334  -6.201  -5.658
  305    HG2  PRO  41           HG2      PRO  41   2.244  -5.499  -8.352
  306    HG3  PRO  41           HG3      PRO  41   1.424  -5.514  -6.781
  307    HD2  PRO  41           HD2      PRO  41   2.424  -3.250  -8.000
  308    HD3  PRO  41           HD3      PRO  41   2.153  -3.415  -6.254
  309    H    ASN  42           H        ASN  42   7.062  -5.929  -7.341
  310    HA   ASN  42           HA       ASN  42   7.082  -5.651 -10.207
  311    HB2  ASN  42           HB2      ASN  42   9.349  -5.851  -9.965
  312    HB3  ASN  42           HB3      ASN  42   9.001  -5.622  -8.272
  313   HD21  ASN  42          HD21      ASN  42   8.862  -7.422  -6.945
  314   HD22  ASN  42          HD22      ASN  42   9.788  -8.837  -7.303
  315    H    ASP  43           H        ASP  43   8.069  -7.837 -11.367
  316    HA   ASP  43           HA       ASP  43   5.856  -9.517 -11.582
  317    HB2  ASP  43           HB2      ASP  43   8.716  -9.946 -12.423
  318    HB3  ASP  43           HB3      ASP  43   7.421 -11.068 -12.822
  319    H    ASP  44           H        ASP  44   8.622  -9.821  -9.461
  320    HA   ASP  44           HA       ASP  44   8.094 -12.588  -8.816
  321    HB2  ASP  44           HB2      ASP  44  10.414 -11.561  -8.939
  322    HB3  ASP  44           HB3      ASP  44  10.011 -10.711  -7.460
  323    H    ALA  45           H        ALA  45   7.269  -9.467  -7.800
  324    HA   ALA  45           HA       ALA  45   6.385 -10.244  -5.161
  325    HB1  ALA  45           HB1      ALA  45   5.658  -7.966  -4.932
  326    HB2  ALA  45           HB2      ALA  45   5.914  -7.680  -6.657
  327    HB3  ALA  45           HB3      ALA  45   7.290  -7.999  -5.602
  328    H    PHE  46           H        PHE  46   5.057  -9.503  -8.328
  329    HA   PHE  46           HA       PHE  46   2.330  -9.851  -7.821
  330    HB2  PHE  46           HB2      PHE  46   3.508  -9.124  -9.972
  331    HB3  PHE  46           HB3      PHE  46   3.778 -10.829 -10.287
  332    HD1  PHE  46           HD1      PHE  46   1.191  -8.237  -9.876
  333    HD2  PHE  46           HD2      PHE  46   2.051 -12.202 -11.151
  334    HE1  PHE  46           HE1      PHE  46  -1.031  -8.379 -10.924
  335    HE2  PHE  46           HE2      PHE  46  -0.168 -12.354 -12.198
  336    HZ   PHE  46           HZ       PHE  46  -1.712 -10.440 -12.086
  337    H    ALA  47           H        ALA  47   4.934 -11.973  -7.758
  338    HA   ALA  47           HA       ALA  47   3.486 -14.451  -8.036
  339    HB1  ALA  47           HB1      ALA  47   5.663 -14.468  -8.904
  340    HB2  ALA  47           HB2      ALA  47   5.771 -15.381  -7.398
  341    HB3  ALA  47           HB3      ALA  47   6.337 -13.705  -7.464
  342    H    LYS  48           H        LYS  48   4.014 -12.205  -5.602
  343    HA   LYS  48           HA       LYS  48   3.840 -14.092  -3.370
  344    HB2  LYS  48           HB2      LYS  48   3.776 -11.093  -3.217
  345    HB3  LYS  48           HB3      LYS  48   4.178 -12.246  -1.959
  346    HG2  LYS  48           HG2      LYS  48   5.817 -11.823  -4.429
  347    HG3  LYS  48           HG3      LYS  48   6.126 -11.033  -2.883
  348    HD2  LYS  48           HD2      LYS  48   6.069 -14.009  -3.366
  349    HD3  LYS  48           HD3      LYS  48   7.529 -13.017  -3.239
  350    HE2  LYS  48           HE2      LYS  48   6.996 -12.455  -0.946
  351    HE3  LYS  48           HE3      LYS  48   5.464 -13.318  -1.059
  352    HZ1  LYS  48           HZ1      LYS  48   6.643 -15.377  -1.310
  353    HZ2  LYS  48           HZ2      LYS  48   7.202 -14.592   0.080
  354    HZ3  LYS  48           HZ3      LYS  48   8.132 -14.579  -1.328
  355    H    LEU  49           H        LEU  49   1.953 -11.915  -5.247
  356    HA   LEU  49           HA       LEU  49  -0.215 -11.337  -3.699
  357    HB2  LEU  49           HB2      LEU  49   0.025 -11.909  -6.629
  358    HB3  LEU  49           HB3      LEU  49  -1.478 -11.380  -5.906
  359    HG   LEU  49           HG       LEU  49   1.130  -9.881  -5.946
  360   HD11  LEU  49          HD11      LEU  49  -0.075  -8.239  -7.227
  361   HD12  LEU  49          HD12      LEU  49  -1.540  -9.222  -7.154
  362   HD13  LEU  49          HD13      LEU  49  -0.127  -9.805  -8.036
  363   HD21  LEU  49          HD21      LEU  49  -0.171  -8.084  -4.826
  364   HD22  LEU  49          HD22      LEU  49   0.136  -9.508  -3.831
  365   HD23  LEU  49          HD23      LEU  49  -1.457  -9.264  -4.552
  366    HA   PRO  50           HA       PRO  50  -2.487 -15.397  -5.026
  367    HB2  PRO  50           HB2      PRO  50  -0.931 -17.529  -5.717
  368    HB3  PRO  50           HB3      PRO  50  -1.606 -16.390  -6.885
  369    HG2  PRO  50           HG2      PRO  50   1.147 -16.514  -5.733
  370    HG3  PRO  50           HG3      PRO  50   0.643 -16.167  -7.396
  371    HD2  PRO  50           HD2      PRO  50   1.388 -14.228  -5.650
  372    HD3  PRO  50           HD3      PRO  50   0.175 -13.963  -6.927
  373    H    ASP  51           H        ASP  51  -2.518 -15.025  -2.700
  374    HA   ASP  51           HA       ASP  51  -2.405 -15.649  -0.525
  375    HB2  ASP  51           HB2      ASP  51  -2.383 -18.336  -1.892
  376    HB3  ASP  51           HB3      ASP  51  -2.530 -18.152  -0.146
  377    H    GLY  52           H        GLY  52  -0.173 -14.609  -0.782
  378    HA2  GLY  52           HA2      GLY  52   1.808 -16.555   0.212
  379    HA3  GLY  52           HA3      GLY  52   2.244 -15.244  -0.872
  380    H    THR  53           H        THR  53   2.207 -13.100  -0.110
  381    HA   THR  53           HA       THR  53   3.149 -12.981   2.621
  382    HB   THR  53           HB       THR  53   2.882 -10.808   0.553
  383    HG1  THR  53           HG1      THR  53   5.093 -12.485   1.227
  384   HG21  THR  53          HG21      THR  53   3.106  -9.824   2.707
  385   HG22  THR  53          HG22      THR  53   4.694  -9.734   1.938
  386   HG23  THR  53          HG23      THR  53   4.377 -10.961   3.166
  387    H    ILE  54           H        ILE  54   0.739 -11.315   0.653
  388    HA   ILE  54           HA       ILE  54  -0.258  -9.675   2.634
  389    HB   ILE  54           HB       ILE  54  -1.057 -10.432  -0.067
  390   HG12  ILE  54          HG12      ILE  54  -1.254  -7.994  -0.245
  391   HG13  ILE  54          HG13      ILE  54  -1.081  -7.850   1.504
  392   HG21  ILE  54          HG21      ILE  54  -3.174 -10.906   1.082
  393   HG22  ILE  54          HG22      ILE  54  -3.291  -9.493   0.036
  394   HG23  ILE  54          HG23      ILE  54  -3.145  -9.287   1.782
  395   HD11  ILE  54          HD11      ILE  54   1.001  -7.323   0.574
  396   HD12  ILE  54          HD12      ILE  54   0.975  -8.740  -0.476
  397   HD13  ILE  54          HD13      ILE  54   1.160  -8.940   1.267
  398    H    THR  55           H        THR  55  -0.843 -12.973   1.996
  399    HA   THR  55           HA       THR  55  -3.255 -13.379   3.304
  400    HB   THR  55           HB       THR  55  -0.863 -15.182   3.249
  401    HG1  THR  55           HG1      THR  55  -3.125 -15.050   1.519
  402   HG21  THR  55          HG21      THR  55  -2.373 -16.974   3.756
  403   HG22  THR  55          HG22      THR  55  -3.766 -15.901   3.608
  404   HG23  THR  55          HG23      THR  55  -2.642 -15.697   4.953
  405    H    SER  56           H        SER  56  -0.015 -12.975   4.626
  406    HA   SER  56           HA       SER  56  -0.908 -13.534   7.304
  407    HB2  SER  56           HB2      SER  56   1.383 -14.131   6.630
  408    HB3  SER  56           HB3      SER  56   1.724 -12.439   6.278
  409    HG   SER  56           HG       SER  56   1.403 -13.729   8.751
  410    H    LEU  57           H        LEU  57  -0.531 -10.923   5.188
  411    HA   LEU  57           HA       LEU  57  -0.516  -8.800   7.078
  412    HB2  LEU  57           HB2      LEU  57  -0.830  -9.031   4.181
  413    HB3  LEU  57           HB3      LEU  57  -1.339  -7.546   4.928
  414    HG   LEU  57           HG       LEU  57   0.886  -7.145   5.761
  415   HD11  LEU  57          HD11      LEU  57   2.759  -8.617   5.246
  416   HD12  LEU  57          HD12      LEU  57   1.654  -9.767   4.493
  417   HD13  LEU  57          HD13      LEU  57   1.547  -9.446   6.223
  418   HD21  LEU  57          HD21      LEU  57   0.192  -6.733   3.264
  419   HD22  LEU  57          HD22      LEU  57   1.387  -7.996   2.944
  420   HD23  LEU  57          HD23      LEU  57   1.872  -6.516   3.767
  421    H    VAL  58           H        VAL  58  -2.993 -10.693   5.478
  422    HA   VAL  58           HA       VAL  58  -5.111  -8.877   6.214
  423    HB   VAL  58           HB       VAL  58  -5.243 -10.454   4.253
  424   HG11  VAL  58          HG11      VAL  58  -4.367 -12.472   5.096
  425   HG12  VAL  58          HG12      VAL  58  -6.095 -12.772   4.855
  426   HG13  VAL  58          HG13      VAL  58  -5.469 -12.462   6.485
  427   HG21  VAL  58          HG21      VAL  58  -7.201  -9.304   5.236
  428   HG22  VAL  58          HG22      VAL  58  -7.476 -10.714   6.265
  429   HG23  VAL  58          HG23      VAL  58  -7.606 -10.864   4.512
  430    H    GLN  59           H        GLN  59  -3.517 -11.656   7.565
  431    HA   GLN  59           HA       GLN  59  -5.383 -12.173   9.631
  432    HB2  GLN  59           HB2      GLN  59  -2.415 -12.684   9.749
  433    HB3  GLN  59           HB3      GLN  59  -3.697 -13.602  10.521
  434    HG2  GLN  59           HG2      GLN  59  -3.719 -13.411   7.583
  435    HG3  GLN  59           HG3      GLN  59  -2.494 -14.419   8.318
  436   HE21  GLN  59          HE21      GLN  59  -4.629 -15.180   6.609
  437   HE22  GLN  59          HE22      GLN  59  -5.631 -16.288   7.482
  438    H    ASN  60           H        ASN  60  -2.825 -10.054   9.047
  439    HA   ASN  60           HA       ASN  60  -2.492  -9.010  11.671
  440    HB2  ASN  60           HB2      ASN  60  -1.246  -8.781   9.028
  441    HB3  ASN  60           HB3      ASN  60  -1.228  -7.310   9.964
  442   HD21  ASN  60          HD21      ASN  60  -0.094 -10.549   9.713
  443   HD22  ASN  60          HD22      ASN  60   1.100 -10.454  10.967
  444    HA   PRO  61           HA       PRO  61  -5.107  -5.450  12.120
  445    HB2  PRO  61           HB2      PRO  61  -2.758  -3.849  11.136
  446    HB3  PRO  61           HB3      PRO  61  -3.882  -3.482  12.451
  447    HG2  PRO  61           HG2      PRO  61  -1.510  -4.537  12.978
  448    HG3  PRO  61           HG3      PRO  61  -2.952  -5.061  13.867
  449    HD2  PRO  61           HD2      PRO  61  -1.371  -6.497  11.832
  450    HD3  PRO  61           HD3      PRO  61  -2.423  -7.139  13.106
  451    HA   PRO  62           HA       PRO  62  -7.602  -4.044   8.889
  452    HB2  PRO  62           HB2      PRO  62  -6.554  -1.305   9.384
  453    HB3  PRO  62           HB3      PRO  62  -8.221  -1.839   9.129
  454    HG2  PRO  62           HG2      PRO  62  -7.360  -1.409  11.583
  455    HG3  PRO  62           HG3      PRO  62  -8.357  -2.832  11.233
  456    HD2  PRO  62           HD2      PRO  62  -5.452  -2.645  11.792
  457    HD3  PRO  62           HD3      PRO  62  -6.589  -3.956  12.148
  458    H    GLN  63           H        GLN  63  -4.275  -3.378   8.382
  459    HA   GLN  63           HA       GLN  63  -4.039  -1.909   6.106
  460    HB2  GLN  63           HB2      GLN  63  -2.227  -3.028   7.399
  461    HB3  GLN  63           HB3      GLN  63  -2.587  -4.491   6.483
  462    HG2  GLN  63           HG2      GLN  63  -2.300  -3.064   4.413
  463    HG3  GLN  63           HG3      GLN  63  -1.552  -1.873   5.483
  464   HE21  GLN  63          HE21      GLN  63  -1.342  -4.940   4.011
  465   HE22  GLN  63          HE22      GLN  63   0.299  -5.225   4.380
  466    H    LEU  64           H        LEU  64  -5.632  -4.981   6.244
  467    HA   LEU  64           HA       LEU  64  -5.584  -5.982   3.726
  468    HB2  LEU  64           HB2      LEU  64  -6.957  -7.106   5.245
  469    HB3  LEU  64           HB3      LEU  64  -7.817  -5.642   5.694
  470    HG   LEU  64           HG       LEU  64  -8.659  -5.653   3.275
  471   HD11  LEU  64          HD11      LEU  64  -8.845  -7.867   2.250
  472   HD12  LEU  64          HD12      LEU  64  -7.832  -8.536   3.529
  473   HD13  LEU  64          HD13      LEU  64  -7.167  -7.348   2.407
  474   HD21  LEU  64          HD21      LEU  64 -10.009  -6.116   5.335
  475   HD22  LEU  64          HD22      LEU  64  -9.708  -7.835   5.056
  476   HD23  LEU  64          HD23      LEU  64 -10.594  -6.887   3.854
  477    H    GLY  65           H        GLY  65  -7.569  -3.292   4.869
  478    HA2  GLY  65           HA2      GLY  65  -9.051  -2.773   2.588
  479    HA3  GLY  65           HA3      GLY  65  -8.620  -1.568   3.776
  480    H    ARG  66           H        ARG  66  -5.737  -1.926   3.234
  481    HA   ARG  66           HA       ARG  66  -5.539  -0.059   1.062
  482    HB2  ARG  66           HB2      ARG  66  -4.023   0.501   2.655
  483    HB3  ARG  66           HB3      ARG  66  -3.795  -1.163   3.170
  484    HG2  ARG  66           HG2      ARG  66  -2.786  -0.969   0.559
  485    HG3  ARG  66           HG3      ARG  66  -2.172   0.417   1.457
  486    HD2  ARG  66           HD2      ARG  66  -1.631  -1.252   3.308
  487    HD3  ARG  66           HD3      ARG  66  -1.907  -2.504   2.094
  488    HE   ARG  66           HE       ARG  66  -0.147  -1.240   0.747
  489   HH11  ARG  66          HH11      ARG  66  -0.115  -1.303   4.248
  490   HH12  ARG  66          HH12      ARG  66   1.596  -1.101   4.360
  491   HH21  ARG  66          HH21      ARG  66   2.110  -0.960   0.900
  492   HH22  ARG  66          HH22      ARG  66   2.863  -0.905   2.459
  493    H    ILE  67           H        ILE  67  -4.753  -3.378   1.738
  494    HA   ILE  67           HA       ILE  67  -3.180  -4.005  -0.461
  495    HB   ILE  67           HB       ILE  67  -5.094  -5.790   1.035
  496   HG12  ILE  67          HG12      ILE  67  -2.210  -5.089   1.610
  497   HG13  ILE  67          HG13      ILE  67  -3.593  -4.497   2.507
  498   HG21  ILE  67          HG21      ILE  67  -4.278  -6.806  -0.992
  499   HG22  ILE  67          HG22      ILE  67  -3.509  -7.561   0.406
  500   HG23  ILE  67          HG23      ILE  67  -2.616  -6.392  -0.567
  501   HD11  ILE  67          HD11      ILE  67  -4.119  -6.838   3.124
  502   HD12  ILE  67          HD12      ILE  67  -2.586  -6.241   3.751
  503   HD13  ILE  67          HD13      ILE  67  -2.611  -7.325   2.362
  504    H    LEU  68           H        LEU  68  -6.693  -4.240  -0.047
  505    HA   LEU  68           HA       LEU  68  -7.354  -5.689  -2.276
  506    HB2  LEU  68           HB2      LEU  68  -8.848  -3.483  -0.917
  507    HB3  LEU  68           HB3      LEU  68  -9.525  -4.334  -2.284
  508    HG   LEU  68           HG       LEU  68 -10.441  -5.654  -0.748
  509   HD11  LEU  68          HD11      LEU  68  -9.087  -7.527   0.019
  510   HD12  LEU  68          HD12      LEU  68  -7.627  -6.651  -0.440
  511   HD13  LEU  68          HD13      LEU  68  -8.781  -7.146  -1.675
  512   HD21  LEU  68          HD21      LEU  68  -9.871  -5.691   1.586
  513   HD22  LEU  68          HD22      LEU  68  -9.825  -4.022   1.003
  514   HD23  LEU  68          HD23      LEU  68  -8.320  -4.909   1.245
  515    H    LYS  69           H        LYS  69  -7.270  -2.112  -2.148
  516    HA   LYS  69           HA       LYS  69  -8.045  -2.092  -4.932
  517    HB2  LYS  69           HB2      LYS  69  -9.117  -0.573  -3.334
  518    HB3  LYS  69           HB3      LYS  69  -7.567   0.198  -3.026
  519    HG2  LYS  69           HG2      LYS  69  -7.470   0.904  -5.376
  520    HG3  LYS  69           HG3      LYS  69  -9.055   0.176  -5.643
  521    HD2  LYS  69           HD2      LYS  69  -9.996   1.684  -3.927
  522    HD3  LYS  69           HD3      LYS  69  -8.411   2.444  -3.760
  523    HE2  LYS  69           HE2      LYS  69 -10.061   2.340  -6.283
  524    HE3  LYS  69           HE3      LYS  69  -9.897   3.738  -5.220
  525    HZ1  LYS  69           HZ1      LYS  69  -8.445   3.839  -7.178
  526    HZ2  LYS  69           HZ2      LYS  69  -7.648   2.441  -6.661
  527    HZ3  LYS  69           HZ3      LYS  69  -7.568   3.853  -5.733
  528    H    TYR  70           H        TYR  70  -5.403  -0.425  -3.129
  529    HA   TYR  70           HA       TYR  70  -3.978  -0.426  -5.699
  530    HB2  TYR  70           HB2      TYR  70  -5.050   1.804  -4.524
  531    HB3  TYR  70           HB3      TYR  70  -3.372   1.871  -4.006
  532    HD1  TYR  70           HD1      TYR  70  -1.954   0.778  -6.333
  533    HD2  TYR  70           HD2      TYR  70  -5.269   3.437  -6.160
  534    HE1  TYR  70           HE1      TYR  70  -1.323   1.697  -8.523
  535    HE2  TYR  70           HE2      TYR  70  -4.646   4.364  -8.349
  536    HH   TYR  70           HH       TYR  70  -2.617   4.574  -9.761
  537    H    HIS  71           H        HIS  71  -3.749  -1.136  -2.362
  538    HA   HIS  71           HA       HIS  71  -2.044  -1.838  -1.026
  539    HB2  HIS  71           HB2      HIS  71  -1.437  -3.220  -3.031
  540    HB3  HIS  71           HB3      HIS  71  -0.397  -1.914  -3.576
  541    HD1  HIS  71           HD1      HIS  71   1.962  -2.118  -2.930
  542    HD2  HIS  71           HD2      HIS  71  -0.512  -4.323  -0.420
  543    HE1  HIS  71           HE1      HIS  71   3.502  -3.384  -1.407
  544    HE2  HIS  71           HE2      HIS  71   2.000  -4.940  -0.131
  545    H    VAL  72           H        VAL  72  -2.660   0.830  -1.268
  546    HA   VAL  72           HA       VAL  72  -0.146   2.318  -1.596
  547    HB   VAL  72           HB       VAL  72  -1.902   2.778  -3.277
  548   HG11  VAL  72          HG11      VAL  72  -3.960   3.924  -2.625
  549   HG12  VAL  72          HG12      VAL  72  -3.517   3.753  -0.927
  550   HG13  VAL  72          HG13      VAL  72  -3.857   2.321  -1.897
  551   HG21  VAL  72          HG21      VAL  72  -1.920   5.201  -3.122
  552   HG22  VAL  72          HG22      VAL  72  -0.335   4.563  -2.688
  553   HG23  VAL  72          HG23      VAL  72  -1.439   5.115  -1.428
  554    H    VAL  73           H        VAL  73   0.174   4.166  -0.283
  555    HA   VAL  73           HA       VAL  73  -1.575   4.491   2.053
  556    HB   VAL  73           HB       VAL  73   0.293   3.464   3.063
  557   HG11  VAL  73          HG11      VAL  73   1.798   3.554   1.111
  558   HG12  VAL  73          HG12      VAL  73   2.606   4.023   2.608
  559   HG13  VAL  73          HG13      VAL  73   2.103   5.256   1.456
  560   HG21  VAL  73          HG21      VAL  73   0.856   6.407   3.200
  561   HG22  VAL  73          HG22      VAL  73   1.300   5.184   4.397
  562   HG23  VAL  73          HG23      VAL  73  -0.402   5.569   4.119
  563    H    ALA  74           H        ALA  74  -2.206   6.558   2.370
  564    HA   ALA  74           HA       ALA  74  -1.622   8.575   0.468
  565    HB1  ALA  74           HB1      ALA  74  -2.833  10.060   2.066
  566    HB2  ALA  74           HB2      ALA  74  -2.911   8.694   3.189
  567    HB3  ALA  74           HB3      ALA  74  -3.715   8.598   1.619
  568    H    GLY  75           H        GLY  75  -0.447  10.396   0.576
  569    HA2  GLY  75           HA2      GLY  75   1.007  11.951   1.677
  570    HA3  GLY  75           HA3      GLY  75   1.446  10.670   2.808
  571    H    ALA  76           H        ALA  76   2.094  12.142  -0.168
  572    HA   ALA  76           HA       ALA  76   3.644  10.330  -1.529
  573    HB1  ALA  76           HB1      ALA  76   2.829  12.490  -2.406
  574    HB2  ALA  76           HB2      ALA  76   4.552  12.237  -2.693
  575    HB3  ALA  76           HB3      ALA  76   4.020  13.316  -1.403
  576    H    TYR  77           H        TYR  77   5.231   9.245  -0.691
  577    HA   TYR  77           HA       TYR  77   7.309  10.719   0.817
  578    HB2  TYR  77           HB2      TYR  77   6.948   7.744   1.066
  579    HB3  TYR  77           HB3      TYR  77   7.798   8.849   2.128
  580    HD1  TYR  77           HD1      TYR  77   6.022  10.792   3.064
  581    HD2  TYR  77           HD2      TYR  77   5.140   6.767   1.999
  582    HE1  TYR  77           HE1      TYR  77   4.095  10.808   4.595
  583    HE2  TYR  77           HE2      TYR  77   3.206   6.774   3.512
  584    HH   TYR  77           HH       TYR  77   1.859   9.512   4.758
  585    H    LYS  78           H        LYS  78   8.951  11.076  -0.654
  586    HA   LYS  78           HA       LYS  78   9.858   9.277  -2.567
  587    HB2  LYS  78           HB2      LYS  78  10.964  11.672  -1.170
  588    HB3  LYS  78           HB3      LYS  78  12.019  10.688  -2.180
  589    HG2  LYS  78           HG2      LYS  78   9.426  11.932  -3.083
  590    HG3  LYS  78           HG3      LYS  78  11.019  12.506  -3.473
  591    HD2  LYS  78           HD2      LYS  78  11.506  10.274  -4.424
  592    HD3  LYS  78           HD3      LYS  78   9.783   9.934  -4.173
  593    HE2  LYS  78           HE2      LYS  78   9.776  10.700  -6.296
  594    HE3  LYS  78           HE3      LYS  78   9.428  12.137  -5.333
  595    HZ1  LYS  78           HZ1      LYS  78  11.710  12.841  -5.549
  596    HZ2  LYS  78           HZ2      LYS  78  11.085  12.566  -7.095
  597    HZ3  LYS  78           HZ3      LYS  78  12.120  11.426  -6.388
  598    H    ALA  79           H        ALA  79  12.062   8.187  -2.397
  599    HA   ALA  79           HA       ALA  79  11.910   6.237  -0.401
  600    HB1  ALA  79           HB1      ALA  79  14.060   5.454  -1.188
  601    HB2  ALA  79           HB2      ALA  79  14.335   6.986  -2.018
  602    HB3  ALA  79           HB3      ALA  79  13.043   5.913  -2.555
  603    H    THR  80           H        THR  80  13.316   9.352  -0.345
  604    HA   THR  80           HA       THR  80  15.303   8.776   1.645
  605    HB   THR  80           HB       THR  80  15.649  10.549  -0.036
  606    HG1  THR  80           HG1      THR  80  16.753  11.769   1.357
  607   HG21  THR  80          HG21      THR  80  13.368  11.426  -0.159
  608   HG22  THR  80          HG22      THR  80  14.525  12.708   0.195
  609   HG23  THR  80          HG23      THR  80  13.516  12.051   1.483
  610    H    ASP  81           H        ASP  81  11.982   9.944   1.597
  611    HA   ASP  81           HA       ASP  81  11.969  10.977   4.256
  612    HB2  ASP  81           HB2      ASP  81  10.279  11.563   2.512
  613    HB3  ASP  81           HB3      ASP  81   9.638   9.927   2.633
  614    H    LEU  82           H        LEU  82  10.944   7.923   2.810
  615    HA   LEU  82           HA       LEU  82  10.013   6.634   5.068
  616    HB2  LEU  82           HB2      LEU  82  11.349   5.592   2.580
  617    HB3  LEU  82           HB3      LEU  82  10.557   4.553   3.752
  618    HG   LEU  82           HG       LEU  82   8.722   4.817   2.512
  619   HD11  LEU  82          HD11      LEU  82   8.734   7.689   3.339
  620   HD12  LEU  82          HD12      LEU  82   8.274   6.369   4.402
  621   HD13  LEU  82          HD13      LEU  82   7.336   6.687   2.945
  622   HD21  LEU  82          HD21      LEU  82   9.976   7.217   1.237
  623   HD22  LEU  82          HD22      LEU  82   8.521   6.386   0.685
  624   HD23  LEU  82          HD23      LEU  82  10.077   5.558   0.647
  625    H    LYS  83           H        LYS  83  13.239   6.430   3.622
  626    HA   LYS  83           HA       LYS  83  14.231   4.676   5.605
  627    HB2  LYS  83           HB2      LYS  83  15.122   4.900   3.301
  628    HB3  LYS  83           HB3      LYS  83  15.755   6.476   3.753
  629    HG2  LYS  83           HG2      LYS  83  17.300   5.552   5.250
  630    HG3  LYS  83           HG3      LYS  83  16.503   3.974   5.211
  631    HD2  LYS  83           HD2      LYS  83  18.569   3.951   3.895
  632    HD3  LYS  83           HD3      LYS  83  17.153   3.692   2.873
  633    HE2  LYS  83           HE2      LYS  83  18.680   5.212   1.781
  634    HE3  LYS  83           HE3      LYS  83  17.209   6.069   2.232
  635    HZ1  LYS  83           HZ1      LYS  83  19.212   7.349   2.712
  636    HZ2  LYS  83           HZ2      LYS  83  19.759   6.135   3.751
  637    HZ3  LYS  83           HZ3      LYS  83  18.356   7.002   4.128
  638    H    ARG  84           H        ARG  84  14.245   8.163   5.257
  639    HA   ARG  84           HA       ARG  84  15.926   9.010   7.237
  640    HB2  ARG  84           HB2      ARG  84  13.917  10.099   5.683
  641    HB3  ARG  84           HB3      ARG  84  13.372  10.369   7.328
  642    HG2  ARG  84           HG2      ARG  84  15.025  11.838   7.790
  643    HG3  ARG  84           HG3      ARG  84  16.187  11.006   6.749
  644    HD2  ARG  84           HD2      ARG  84  15.102  11.873   4.794
  645    HD3  ARG  84           HD3      ARG  84  13.878  12.671   5.777
  646    HE   ARG  84           HE       ARG  84  16.483  13.532   6.515
  647   HH11  ARG  84          HH11      ARG  84  14.058  13.914   4.016
  648   HH12  ARG  84          HH12      ARG  84  14.585  15.502   3.567
  649   HH21  ARG  84          HH21      ARG  84  17.183  15.627   5.917
  650   HH22  ARG  84          HH22      ARG  84  16.359  16.475   4.645
  651    H    MET  85           H        MET  85  12.597   7.943   7.482
  652    HA   MET  85           HA       MET  85  12.532   8.106  10.359
  653    HB2  MET  85           HB2      MET  85  10.593   6.882   8.401
  654    HB3  MET  85           HB3      MET  85  10.300   7.057  10.120
  655    HG2  MET  85           HG2      MET  85  10.407   9.467   9.899
  656    HG3  MET  85           HG3      MET  85  10.758   9.304   8.181
  657    HE1  MET  85           HE1      MET  85   8.215   7.128  10.300
  658    HE2  MET  85           HE2      MET  85   6.746   8.088  10.122
  659    HE3  MET  85           HE3      MET  85   8.119   8.736  11.017
  660    H    GLY  86           H        GLY  86  12.894   5.604   7.917
  661    HA2  GLY  86           HA2      GLY  86  13.758   3.452   8.183
  662    HA3  GLY  86           HA3      GLY  86  13.862   3.739   9.912
  663    H    ILE  87           H        ILE  87  10.870   4.528   8.634
  664    HA   ILE  87           HA       ILE  87   9.604   2.004   8.682
  665    HB   ILE  87           HB       ILE  87  10.003   2.822  11.188
  666   HG12  ILE  87          HG12      ILE  87   7.235   1.870  10.494
  667   HG13  ILE  87          HG13      ILE  87   8.623   0.830  10.232
  668   HG21  ILE  87          HG21      ILE  87   8.032   4.044  12.007
  669   HG22  ILE  87          HG22      ILE  87   7.488   4.222  10.335
  670   HG23  ILE  87          HG23      ILE  87   8.986   4.992  10.863
  671   HD11  ILE  87          HD11      ILE  87   9.171   1.047  12.629
  672   HD12  ILE  87          HD12      ILE  87   7.608   0.293  12.320
  673   HD13  ILE  87          HD13      ILE  87   7.687   1.977  12.841
  674    H    VAL  88           H        VAL  88   7.380   2.196   8.163
  675    HA   VAL  88           HA       VAL  88   6.517   4.835   7.197
  676    HB   VAL  88           HB       VAL  88   5.496   3.586   5.234
  677   HG11  VAL  88          HG11      VAL  88   7.374   4.937   4.836
  678   HG12  VAL  88          HG12      VAL  88   7.743   3.393   4.074
  679   HG13  VAL  88          HG13      VAL  88   8.467   3.807   5.636
  680   HG21  VAL  88          HG21      VAL  88   5.661   1.328   6.189
  681   HG22  VAL  88          HG22      VAL  88   7.424   1.444   6.158
  682   HG23  VAL  88          HG23      VAL  88   6.508   1.435   4.644
  683    H    THR  89           H        THR  89   4.285   5.223   7.387
  684    HA   THR  89           HA       THR  89   2.847   3.133   8.870
  685    HB   THR  89           HB       THR  89   1.951   5.998   8.723
  686    HG1  THR  89           HG1      THR  89   4.237   5.380   9.671
  687   HG21  THR  89          HG21      THR  89   0.327   4.393   9.544
  688   HG22  THR  89          HG22      THR  89   0.911   5.368  10.897
  689   HG23  THR  89          HG23      THR  89   1.514   3.720  10.673
  690    H    SER  90           H        SER  90   1.059   2.276   8.098
  691    HA   SER  90           HA       SER  90   0.340   2.652   5.375
  692    HB2  SER  90           HB2      SER  90  -0.843   1.023   7.643
  693    HB3  SER  90           HB3      SER  90  -1.445   0.959   5.973
  694    HG   SER  90           HG       SER  90   1.156   0.299   6.912
  695    H    LEU  91           H        LEU  91  -1.892   3.147   4.648
  696    HA   LEU  91           HA       LEU  91  -2.889   5.557   5.498
  697    HB2  LEU  91           HB2      LEU  91  -3.427   4.002   3.436
  698    HB3  LEU  91           HB3      LEU  91  -4.787   3.504   4.415
  699    HG   LEU  91           HG       LEU  91  -5.845   5.519   4.252
  700   HD11  LEU  91          HD11      LEU  91  -4.255   6.982   5.159
  701   HD12  LEU  91          HD12      LEU  91  -4.623   7.598   3.543
  702   HD13  LEU  91          HD13      LEU  91  -3.136   6.691   3.827
  703   HD21  LEU  91          HD21      LEU  91  -5.734   6.265   1.970
  704   HD22  LEU  91          HD22      LEU  91  -5.607   4.504   2.040
  705   HD23  LEU  91          HD23      LEU  91  -4.166   5.484   1.770
  706    H    GLU  92           H        GLU  92  -3.651   2.337   6.599
  707    HA   GLU  92           HA       GLU  92  -5.866   3.085   8.261
  708    HB2  GLU  92           HB2      GLU  92  -5.790   0.771   9.047
  709    HB3  GLU  92           HB3      GLU  92  -5.650   0.832   7.285
  710    HG2  GLU  92           HG2      GLU  92  -3.863  -0.464   7.471
  711    HG3  GLU  92           HG3      GLU  92  -3.030   0.905   8.201
  712    H    GLY  93           H        GLY  93  -2.449   2.872   8.584
  713    HA2  GLY  93           HA2      GLY  93  -1.504   4.215  10.427
  714    HA3  GLY  93           HA3      GLY  93  -2.669   3.430  11.470
  715    H    SER  94           H        SER  94  -1.504   1.131   9.312
  716    HA   SER  94           HA       SER  94   0.070  -0.070  11.357
  717    HB2  SER  94           HB2      SER  94  -0.987  -0.881   8.725
  718    HB3  SER  94           HB3      SER  94   0.477  -1.696   9.265
  719    HG   SER  94           HG       SER  94  -2.102  -1.959  10.133
  720    H    THR  95           H        THR  95   2.134   0.332  11.726
  721    HA   THR  95           HA       THR  95   3.805   1.586   9.768
  722    HB   THR  95           HB       THR  95   5.458   0.805  11.843
  723    HG1  THR  95           HG1      THR  95   3.708   0.068  13.071
  724   HG21  THR  95          HG21      THR  95   3.821   3.330  11.586
  725   HG22  THR  95          HG22      THR  95   5.359   3.013  10.782
  726   HG23  THR  95          HG23      THR  95   5.293   3.144  12.541
  727    H    ILE  96           H        ILE  96   5.434   0.798   8.633
  728    HA   ILE  96           HA       ILE  96   6.196  -2.021   8.909
  729    HB   ILE  96           HB       ILE  96   5.469  -0.522   6.422
  730   HG12  ILE  96          HG12      ILE  96   4.627  -2.913   5.863
  731   HG13  ILE  96          HG13      ILE  96   4.837  -3.212   7.585
  732   HG21  ILE  96          HG21      ILE  96   7.394  -2.823   6.525
  733   HG22  ILE  96          HG22      ILE  96   7.708  -1.190   5.933
  734   HG23  ILE  96          HG23      ILE  96   6.591  -2.247   5.066
  735   HD11  ILE  96          HD11      ILE  96   3.291  -1.394   8.094
  736   HD12  ILE  96          HD12      ILE  96   2.543  -2.620   7.071
  737   HD13  ILE  96          HD13      ILE  96   3.078  -1.093   6.369
  738    HA   PRO  97           HA       PRO  97  10.050   0.079   9.501
  739    HB2  PRO  97           HB2      PRO  97  11.496  -2.413   9.345
  740    HB3  PRO  97           HB3      PRO  97  11.094  -1.464  10.776
  741    HG2  PRO  97           HG2      PRO  97  10.028  -3.933  10.164
  742    HG3  PRO  97           HG3      PRO  97   9.289  -2.750  11.259
  743    HD2  PRO  97           HD2      PRO  97   8.604  -3.435   8.449
  744    HD3  PRO  97           HD3      PRO  97   7.556  -2.905   9.779
  745    H    ILE  98           H        ILE  98  11.329   1.067   8.221
  746    HA   ILE  98           HA       ILE  98  11.858   0.047   5.556
  747    HB   ILE  98           HB       ILE  98  12.285   2.753   6.814
  748   HG12  ILE  98          HG12      ILE  98   9.955   2.169   6.356
  749   HG13  ILE  98          HG13      ILE  98  10.508   3.445   5.276
  750   HG21  ILE  98          HG21      ILE  98  14.039   2.434   5.216
  751   HG22  ILE  98          HG22      ILE  98  12.832   3.515   4.517
  752   HG23  ILE  98          HG23      ILE  98  12.896   1.825   4.017
  753   HD11  ILE  98          HD11      ILE  98  10.429   0.545   4.513
  754   HD12  ILE  98          HD12      ILE  98  10.680   1.934   3.455
  755   HD13  ILE  98          HD13      ILE  98   9.106   1.675   4.225
  756    H    HIS  99           H        HIS  99  13.734  -0.541   4.844
  757    HA   HIS  99           HA       HIS  99  16.147  -0.077   6.471
  758    HB2  HIS  99           HB2      HIS  99  15.639  -2.578   4.874
  759    HB3  HIS  99           HB3      HIS  99  17.002  -2.263   5.922
  760    HD1  HIS  99           HD1      HIS  99  16.772  -2.943   8.331
  761    HD2  HIS  99           HD2      HIS  99  13.155  -3.037   6.285
  762    HE1  HIS  99           HE1      HIS  99  15.137  -4.027   9.899
  763    HE2  HIS  99           HE2      HIS  99  13.023  -4.275   8.548
  764    H    GLY 100           H        GLY 100  18.136  -0.628   4.870
  765    HA2  GLY 100           HA2      GLY 100  17.928  -0.496   2.151
  766    HA3  GLY 100           HA3      GLY 100  17.779   1.176   2.660
  767    H    ASP 101           H        ASP 101  19.887  -1.203   1.724
  768    HA   ASP 101           HA       ASP 101  22.183   0.211   2.898
  769    HB2  ASP 101           HB2      ASP 101  22.009  -2.346   3.025
  770    HB3  ASP 101           HB3      ASP 101  22.301  -2.343   1.288
  771    H    ASN 102           H        ASN 102  21.101  -1.187  -0.191
  772    HA   ASN 102           HA       ASN 102  22.389   1.089  -1.525
  773    HB2  ASN 102           HB2      ASN 102  21.930  -1.693  -2.611
  774    HB3  ASN 102           HB3      ASN 102  22.462  -0.336  -3.593
  775   HD21  ASN 102          HD21      ASN 102  24.534   0.506  -3.260
  776   HD22  ASN 102          HD22      ASN 102  25.757  -0.405  -2.447
  777    HA   PRO 103           HA       PRO 103  18.014   1.005  -3.318
  778    HB2  PRO 103           HB2      PRO 103  16.463  -1.112  -3.367
  779    HB3  PRO 103           HB3      PRO 103  17.900  -1.097  -4.400
  780    HG2  PRO 103           HG2      PRO 103  17.514  -2.392  -1.726
  781    HG3  PRO 103           HG3      PRO 103  18.200  -3.086  -3.207
  782    HD2  PRO 103           HD2      PRO 103  19.698  -2.008  -1.183
  783    HD3  PRO 103           HD3      PRO 103  20.238  -2.125  -2.861
  784    H    LEU 104           H        LEU 104  15.715   1.158  -2.477
  785    HA   LEU 104           HA       LEU 104  15.650   1.401   0.375
  786    HB2  LEU 104           HB2      LEU 104  14.344   2.835  -1.271
  787    HB3  LEU 104           HB3      LEU 104  13.298   1.445  -1.483
  788    HG   LEU 104           HG       LEU 104  12.883   1.531   1.021
  789   HD11  LEU 104          HD11      LEU 104  14.131   4.253   0.681
  790   HD12  LEU 104          HD12      LEU 104  14.764   2.927   1.660
  791   HD13  LEU 104          HD13      LEU 104  13.239   3.703   2.102
  792   HD21  LEU 104          HD21      LEU 104  11.230   3.330   0.799
  793   HD22  LEU 104          HD22      LEU 104  11.227   2.230  -0.578
  794   HD23  LEU 104          HD23      LEU 104  11.988   3.818  -0.718
  795    H    GLU 105           H        GLU 105  14.142   0.273   1.743
  796    HA   GLU 105           HA       GLU 105  13.491  -2.429   0.837
  797    HB2  GLU 105           HB2      GLU 105  15.191  -1.784   3.249
  798    HB3  GLU 105           HB3      GLU 105  14.569  -3.380   2.860
  799    HG2  GLU 105           HG2      GLU 105  16.079  -2.092   0.708
  800    HG3  GLU 105           HG3      GLU 105  17.014  -2.445   2.161
  801    H    VAL 106           H        VAL 106  11.410  -2.486   1.195
  802    HA   VAL 106           HA       VAL 106  10.328  -1.333   3.671
  803    HB   VAL 106           HB       VAL 106   9.231  -0.093   2.099
  804   HG11  VAL 106          HG11      VAL 106  10.456  -0.956   0.200
  805   HG12  VAL 106          HG12      VAL 106   8.743  -0.815  -0.198
  806   HG13  VAL 106          HG13      VAL 106   9.435  -2.396   0.170
  807   HG21  VAL 106          HG21      VAL 106   7.611  -2.634   2.056
  808   HG22  VAL 106          HG22      VAL 106   7.040  -1.088   1.430
  809   HG23  VAL 106          HG23      VAL 106   7.413  -1.262   3.149
  810    H    LYS 107           H        LYS 107   9.411  -2.743   5.074
  811    HA   LYS 107           HA       LYS 107   8.828  -4.704   6.022
  812    HB2  LYS 107           HB2      LYS 107   7.014  -5.950   4.996
  813    HB3  LYS 107           HB3      LYS 107   6.737  -4.232   4.808
  814    HG2  LYS 107           HG2      LYS 107   7.789  -4.592   2.454
  815    HG3  LYS 107           HG3      LYS 107   7.403  -6.284   2.749
  816    HD2  LYS 107           HD2      LYS 107   5.420  -4.016   2.880
  817    HD3  LYS 107           HD3      LYS 107   5.639  -5.085   1.494
  818    HE2  LYS 107           HE2      LYS 107   4.871  -5.979   4.263
  819    HE3  LYS 107           HE3      LYS 107   3.737  -5.719   2.942
  820    HZ1  LYS 107           HZ1      LYS 107   4.425  -8.065   3.271
  821    HZ2  LYS 107           HZ2      LYS 107   5.993  -7.645   2.808
  822    HZ3  LYS 107           HZ3      LYS 107   4.709  -7.486   1.705
  823    H    ASN 108           H        ASN 108   8.292  -7.157   4.146
  824    HA   ASN 108           HA       ASN 108  11.063  -8.043   4.130
  825    HB2  ASN 108           HB2      ASN 108  10.123 -10.266   3.611
  826    HB3  ASN 108           HB3      ASN 108   9.397  -9.572   5.055
  827   HD21  ASN 108          HD21      ASN 108   8.400 -11.645   3.289
  828   HD22  ASN 108          HD22      ASN 108   6.867 -11.091   2.715
  829    H    ALA 109           H        ALA 109  10.236  -5.993   2.296
  830    HA   ALA 109           HA       ALA 109  10.558  -7.381  -0.280
  831    HB1  ALA 109           HB1      ALA 109   9.024  -4.818   0.130
  832    HB2  ALA 109           HB2      ALA 109   8.270  -6.419   0.109
  833    HB3  ALA 109           HB3      ALA 109   9.100  -5.814  -1.327
  834    H    THR 110           H        THR 110  11.577  -6.056  -1.947
  835    HA   THR 110           HA       THR 110  13.434  -4.079  -0.896
  836    HB   THR 110           HB       THR 110  14.078  -6.177  -2.982
  837    HG1  THR 110           HG1      THR 110  14.899  -5.955  -0.242
  838   HG21  THR 110          HG21      THR 110  15.332  -4.110  -3.286
  839   HG22  THR 110          HG22      THR 110  16.398  -5.380  -2.682
  840   HG23  THR 110          HG23      THR 110  15.811  -4.126  -1.589
  841    H    VAL 111           H        VAL 111  13.695  -2.323  -2.182
  842    HA   VAL 111           HA       VAL 111  11.709  -1.993  -4.234
  843    HB   VAL 111           HB       VAL 111  13.629  -0.181  -2.864
  844   HG11  VAL 111          HG11      VAL 111  13.029   1.648  -4.335
  845   HG12  VAL 111          HG12      VAL 111  12.066   0.558  -5.329
  846   HG13  VAL 111          HG13      VAL 111  13.817   0.367  -5.252
  847   HG21  VAL 111          HG21      VAL 111  11.554   1.083  -2.435
  848   HG22  VAL 111          HG22      VAL 111  11.480  -0.574  -1.835
  849   HG23  VAL 111          HG23      VAL 111  10.655  -0.141  -3.332
  850    H    LEU 112           H        LEU 112  11.952  -2.284  -6.288
  851    HA   LEU 112           HA       LEU 112  14.562  -2.716  -7.457
  852    HB2  LEU 112           HB2      LEU 112  11.769  -2.955  -8.548
  853    HB3  LEU 112           HB3      LEU 112  13.196  -3.152  -9.542
  854    HG   LEU 112           HG       LEU 112  13.838  -4.980  -7.793
  855   HD11  LEU 112          HD11      LEU 112  10.965  -5.463  -7.502
  856   HD12  LEU 112          HD12      LEU 112  11.585  -4.046  -6.629
  857   HD13  LEU 112          HD13      LEU 112  12.285  -5.645  -6.319
  858   HD21  LEU 112          HD21      LEU 112  11.603  -5.369  -9.784
  859   HD22  LEU 112          HD22      LEU 112  12.590  -6.651  -9.085
  860   HD23  LEU 112          HD23      LEU 112  13.331  -5.440 -10.133
  861    H    ALA 113           H        ALA 113  11.894  -0.481  -7.503
  862    HA   ALA 113           HA       ALA 113  13.584   1.644  -8.503
  863    HB1  ALA 113           HB1      ALA 113  12.831   0.636 -10.599
  864    HB2  ALA 113           HB2      ALA 113  12.129   2.240 -10.379
  865    HB3  ALA 113           HB3      ALA 113  11.153   0.802 -10.080
  866    H    ALA 114           H        ALA 114  13.136   3.248  -7.084
  867    HA   ALA 114           HA       ALA 114  10.332   3.810  -6.479
  868    HB1  ALA 114           HB1      ALA 114  11.040   4.244  -4.109
  869    HB2  ALA 114           HB2      ALA 114  12.577   3.479  -4.513
  870    HB3  ALA 114           HB3      ALA 114  11.078   2.549  -4.592
  871    H    ASP 115           H        ASP 115  10.567   5.892  -4.866
  872    HA   ASP 115           HA       ASP 115  10.945   8.130  -4.772
  873    HB2  ASP 115           HB2      ASP 115  13.386   7.360  -4.861
  874    HB3  ASP 115           HB3      ASP 115  13.334   7.654  -6.592
  875    H    ILE 116           H        ILE 116   9.336   6.776  -6.607
  876    HA   ILE 116           HA       ILE 116   9.454   8.187  -9.128
  877    HB   ILE 116           HB       ILE 116   7.440   6.138  -8.230
  878   HG12  ILE 116          HG12      ILE 116  10.148   5.685  -9.470
  879   HG13  ILE 116          HG13      ILE 116   9.594   5.120  -7.912
  880   HG21  ILE 116          HG21      ILE 116   7.127   5.739 -10.588
  881   HG22  ILE 116          HG22      ILE 116   8.414   6.882 -10.974
  882   HG23  ILE 116          HG23      ILE 116   6.915   7.456 -10.235
  883   HD11  ILE 116          HD11      ILE 116   9.654   3.330  -9.572
  884   HD12  ILE 116          HD12      ILE 116   8.500   4.222 -10.565
  885   HD13  ILE 116          HD13      ILE 116   8.019   3.623  -8.978
  886    H    GLU 117           H        GLU 117   8.444  10.132  -9.126
  887    HA   GLU 117           HA       GLU 117   6.365  10.833  -7.342
  888    HB2  GLU 117           HB2      GLU 117   7.012  12.072 -10.021
  889    HB3  GLU 117           HB3      GLU 117   6.043  12.793  -8.740
  890    HG2  GLU 117           HG2      GLU 117   8.014  12.761  -7.272
  891    HG3  GLU 117           HG3      GLU 117   8.967  12.117  -8.599
  892    H    ALA 118           H        ALA 118   4.513   9.817  -7.291
  893    HA   ALA 118           HA       ALA 118   3.499   8.406  -9.587
  894    HB1  ALA 118           HB1      ALA 118   1.732   8.682  -7.254
  895    HB2  ALA 118           HB2      ALA 118   3.302   7.944  -6.932
  896    HB3  ALA 118           HB3      ALA 118   2.225   7.239  -8.146
  897    H    GLU 119           H        GLU 119   0.988   8.495  -9.751
  898    HA   GLU 119           HA       GLU 119   0.094  10.759 -10.990
  899    HB2  GLU 119           HB2      GLU 119  -2.228   9.871 -10.236
  900    HB3  GLU 119           HB3      GLU 119  -1.226   8.872 -11.278
  901    HG2  GLU 119           HG2      GLU 119  -0.496   7.564  -9.369
  902    HG3  GLU 119           HG3      GLU 119  -1.434   8.585  -8.276
  903    H    ASN 120           H        ASN 120  -0.413   9.905  -7.567
  904    HA   ASN 120           HA       ASN 120  -1.061  12.734  -7.083
  905    HB2  ASN 120           HB2      ASN 120  -2.159  10.259  -5.763
  906    HB3  ASN 120           HB3      ASN 120  -2.326  11.859  -5.052
  907   HD21  ASN 120          HD21      ASN 120  -3.388   9.694  -7.510
  908   HD22  ASN 120          HD22      ASN 120  -4.667  10.683  -8.125
  909    H    GLY 121           H        GLY 121   1.136  10.228  -6.373
  910    HA2  GLY 121           HA2      GLY 121   2.329  11.850  -4.267
  911    HA3  GLY 121           HA3      GLY 121   1.822  10.248  -3.804
  912    H    ILE 122           H        ILE 122   3.140   8.666  -4.084
  913    HA   ILE 122           HA       ILE 122   5.470   8.907  -5.816
  914    HB   ILE 122           HB       ILE 122   5.543   8.383  -2.852
  915   HG12  ILE 122          HG12      ILE 122   5.564  10.762  -3.645
  916   HG13  ILE 122          HG13      ILE 122   6.983  10.293  -2.709
  917   HG21  ILE 122          HG21      ILE 122   6.966   6.780  -4.029
  918   HG22  ILE 122          HG22      ILE 122   7.915   7.917  -3.071
  919   HG23  ILE 122          HG23      ILE 122   7.808   8.114  -4.819
  920   HD11  ILE 122          HD11      ILE 122   8.258  11.047  -4.359
  921   HD12  ILE 122          HD12      ILE 122   6.815  11.310  -5.374
  922   HD13  ILE 122          HD13      ILE 122   7.604   9.720  -5.372
  923    H    ILE 123           H        ILE 123   6.371   6.927  -6.394
  924    HA   ILE 123           HA       ILE 123   4.868   4.531  -5.517
  925    HB   ILE 123           HB       ILE 123   5.893   5.135  -8.298
  926   HG12  ILE 123          HG12      ILE 123   3.138   4.518  -7.243
  927   HG13  ILE 123          HG13      ILE 123   3.733   6.125  -7.632
  928   HG21  ILE 123          HG21      ILE 123   5.088   2.923  -8.951
  929   HG22  ILE 123          HG22      ILE 123   4.687   2.566  -7.271
  930   HG23  ILE 123          HG23      ILE 123   6.370   2.798  -7.745
  931   HD11  ILE 123          HD11      ILE 123   2.363   5.377  -9.417
  932   HD12  ILE 123          HD12      ILE 123   3.246   3.854  -9.534
  933   HD13  ILE 123          HD13      ILE 123   4.034   5.368  -9.978
  934    H    HIS 124           H        HIS 124   6.012   2.708  -5.043
  935    HA   HIS 124           HA       HIS 124   8.896   2.701  -5.626
  936    HB2  HIS 124           HB2      HIS 124   7.990   1.474  -3.057
  937    HB3  HIS 124           HB3      HIS 124   9.572   2.059  -3.510
  938    HD1  HIS 124           HD1      HIS 124   6.941   2.802  -1.306
  939    HD2  HIS 124           HD2      HIS 124   9.420   5.128  -3.688
  940    HE1  HIS 124           HE1      HIS 124   6.909   5.086  -0.277
  941    HE2  HIS 124           HE2      HIS 124   8.290   6.516  -1.814
  942    H    VAL 125           H        VAL 125   9.191   1.022  -6.913
  943    HA   VAL 125           HA       VAL 125   7.400  -1.239  -6.950
  944    HB   VAL 125           HB       VAL 125  10.025  -0.819  -8.399
  945   HG11  VAL 125          HG11      VAL 125   9.142  -2.524  -9.966
  946   HG12  VAL 125          HG12      VAL 125   7.810  -2.811  -8.846
  947   HG13  VAL 125          HG13      VAL 125   9.470  -3.151  -8.351
  948   HG21  VAL 125          HG21      VAL 125   8.397   0.917  -8.937
  949   HG22  VAL 125          HG22      VAL 125   7.204  -0.321  -9.339
  950   HG23  VAL 125          HG23      VAL 125   8.665  -0.156 -10.312
  951    H    ILE 126           H        ILE 126   7.690  -3.168  -5.911
  952    HA   ILE 126           HA       ILE 126  10.279  -3.607  -4.572
  953    HB   ILE 126           HB       ILE 126   9.225  -4.404  -2.581
  954   HG12  ILE 126          HG12      ILE 126   7.030  -4.932  -4.094
  955   HG13  ILE 126          HG13      ILE 126   7.043  -4.933  -2.338
  956   HG21  ILE 126          HG21      ILE 126   8.106  -1.713  -3.329
  957   HG22  ILE 126          HG22      ILE 126   9.717  -2.039  -2.679
  958   HG23  ILE 126          HG23      ILE 126   8.290  -2.346  -1.689
  959   HD11  ILE 126          HD11      ILE 126   5.139  -3.723  -3.218
  960   HD12  ILE 126          HD12      ILE 126   6.218  -2.633  -4.089
  961   HD13  ILE 126          HD13      ILE 126   6.219  -2.655  -2.325
  962    H    ASP 127           H        ASP 127  10.437  -5.753  -3.684
  963    HA   ASP 127           HA       ASP 127   9.856  -7.567  -5.860
  964    HB2  ASP 127           HB2      ASP 127  12.163  -7.151  -5.372
  965    HB3  ASP 127           HB3      ASP 127  11.942  -7.566  -3.694
  966    H    THR 128           H        THR 128   8.221  -6.846  -3.328
  967    HA   THR 128           HA       THR 128   7.085  -9.433  -2.901
  968    HB   THR 128           HB       THR 128   8.774  -8.211  -0.719
  969    HG1  THR 128           HG1      THR 128   9.156 -10.195  -2.419
  970   HG21  THR 128          HG21      THR 128   7.811  -9.998   0.760
  971   HG22  THR 128          HG22      THR 128   6.552 -10.228  -0.456
  972   HG23  THR 128          HG23      THR 128   6.718  -8.673   0.365
  973    H    VAL 129           H        VAL 129   4.951  -9.045  -2.598
  974    HA   VAL 129           HA       VAL 129   3.955  -6.423  -2.413
  975    HB   VAL 129           HB       VAL 129   2.431  -9.012  -1.981
  976   HG11  VAL 129          HG11      VAL 129   0.525  -7.754  -2.739
  977   HG12  VAL 129          HG12      VAL 129   1.529  -6.337  -3.048
  978   HG13  VAL 129          HG13      VAL 129   1.274  -6.891  -1.396
  979   HG21  VAL 129          HG21      VAL 129   1.917  -8.700  -4.457
  980   HG22  VAL 129          HG22      VAL 129   3.536  -9.269  -4.045
  981   HG23  VAL 129          HG23      VAL 129   3.282  -7.586  -4.486
  Start of MODEL    9
    1    H1   MET   1           H1       MET   1 -19.743   9.804  -8.727
    2    H2   MET   1           H2       MET   1 -20.734  10.696  -9.761
    3    H3   MET   1           H3       MET   1 -21.199  10.441  -8.158
    4    HA   MET   1           HA       MET   1 -18.855  12.009  -9.051
    5    HB2  MET   1           HB2      MET   1 -21.492  12.878  -7.847
    6    HB3  MET   1           HB3      MET   1 -20.119  13.938  -8.128
    7    HG2  MET   1           HG2      MET   1 -21.664  12.456 -10.239
    8    HG3  MET   1           HG3      MET   1 -21.801  14.172  -9.866
    9    HE1  MET   1           HE1      MET   1 -21.412  14.769 -12.390
   10    HE2  MET   1           HE2      MET   1 -21.244  13.064 -12.810
   11    HE3  MET   1           HE3      MET   1 -20.027  14.226 -13.337
   12    H    ALA   2           H        ALA   2 -18.053  10.151  -7.494
   13    HA   ALA   2           HA       ALA   2 -17.809  11.348  -4.851
   14    HB1  ALA   2           HB1      ALA   2 -18.349   9.265  -3.703
   15    HB2  ALA   2           HB2      ALA   2 -18.715   8.499  -5.248
   16    HB3  ALA   2           HB3      ALA   2 -19.721   9.823  -4.661
   17    H    THR   3           H        THR   3 -16.162  10.141  -3.538
   18    HA   THR   3           HA       THR   3 -13.783   9.742  -5.044
   19    HB   THR   3           HB       THR   3 -14.336   9.072  -2.145
   20    HG1  THR   3           HG1      THR   3 -12.984  11.373  -2.532
   21   HG21  THR   3          HG21      THR   3 -11.735   9.734  -3.525
   22   HG22  THR   3          HG22      THR   3 -12.250   8.114  -3.058
   23   HG23  THR   3          HG23      THR   3 -11.951   9.334  -1.819
   24    H    ILE   4           H        ILE   4 -12.641   7.847  -5.413
   25    HA   ILE   4           HA       ILE   4 -14.114   5.635  -6.186
   26    HB   ILE   4           HB       ILE   4 -11.813   4.455  -6.248
   27   HG12  ILE   4          HG12      ILE   4  -9.947   6.191  -6.414
   28   HG13  ILE   4          HG13      ILE   4 -11.016   7.289  -5.555
   29   HG21  ILE   4          HG21      ILE   4 -11.238   5.674  -8.300
   30   HG22  ILE   4          HG22      ILE   4 -12.375   6.944  -7.849
   31   HG23  ILE   4          HG23      ILE   4 -12.961   5.317  -8.193
   32   HD11  ILE   4          HD11      ILE   4  -9.373   6.219  -4.092
   33   HD12  ILE   4          HD12      ILE   4 -10.047   4.642  -4.504
   34   HD13  ILE   4          HD13      ILE   4 -11.031   5.823  -3.638
   35    H    VAL   5           H        VAL   5 -12.767   6.281  -3.068
   36    HA   VAL   5           HA       VAL   5 -13.199   3.548  -2.178
   37    HB   VAL   5           HB       VAL   5 -11.273   4.489  -1.177
   38   HG11  VAL   5          HG11      VAL   5 -11.302   6.619   0.076
   39   HG12  VAL   5          HG12      VAL   5 -12.942   6.892  -0.529
   40   HG13  VAL   5          HG13      VAL   5 -11.584   6.809  -1.657
   41   HG21  VAL   5          HG21      VAL   5 -11.873   4.640   1.218
   42   HG22  VAL   5          HG22      VAL   5 -12.553   3.242   0.385
   43   HG23  VAL   5          HG23      VAL   5 -13.565   4.646   0.722
   44    H    ASP   6           H        ASP   6 -14.547   6.750  -1.877
   45    HA   ASP   6           HA       ASP   6 -16.371   6.353   0.181
   46    HB2  ASP   6           HB2      ASP   6 -15.782   8.534  -0.942
   47    HB3  ASP   6           HB3      ASP   6 -16.837   8.066  -2.259
   48    H    ILE   7           H        ILE   7 -16.720   5.992  -3.296
   49    HA   ILE   7           HA       ILE   7 -19.355   5.134  -3.377
   50    HB   ILE   7           HB       ILE   7 -17.183   4.135  -5.210
   51   HG12  ILE   7          HG12      ILE   7 -18.867   6.566  -5.703
   52   HG13  ILE   7          HG13      ILE   7 -17.409   6.698  -4.733
   53   HG21  ILE   7          HG21      ILE   7 -20.160   4.539  -5.566
   54   HG22  ILE   7          HG22      ILE   7 -19.316   2.992  -5.484
   55   HG23  ILE   7          HG23      ILE   7 -19.043   4.076  -6.851
   56   HD11  ILE   7          HD11      ILE   7 -17.496   5.636  -7.541
   57   HD12  ILE   7          HD12      ILE   7 -16.062   5.929  -6.552
   58   HD13  ILE   7          HD13      ILE   7 -17.059   7.283  -7.084
   59    H    ALA   8           H        ALA   8 -16.523   3.387  -2.336
   60    HA   ALA   8           HA       ALA   8 -17.477   0.763  -2.696
   61    HB1  ALA   8           HB1      ALA   8 -15.807   0.086  -1.060
   62    HB2  ALA   8           HB2      ALA   8 -15.585   1.766  -0.573
   63    HB3  ALA   8           HB3      ALA   8 -15.132   1.251  -2.198
   64    H    VAL   9           H        VAL   9 -18.056   3.141  -0.158
   65    HA   VAL   9           HA       VAL   9 -19.667   1.220   1.325
   66    HB   VAL   9           HB       VAL   9 -18.203   2.957   2.468
   67   HG11  VAL   9          HG11      VAL   9 -19.157   5.179   2.811
   68   HG12  VAL   9          HG12      VAL   9 -20.439   4.804   1.658
   69   HG13  VAL   9          HG13      VAL   9 -18.762   4.887   1.117
   70   HG21  VAL   9          HG21      VAL   9 -19.847   3.374   4.265
   71   HG22  VAL   9          HG22      VAL   9 -19.834   1.700   3.712
   72   HG23  VAL   9          HG23      VAL   9 -21.122   2.790   3.196
   73    H    ASN  10           H        ASN  10 -20.056   3.392  -1.218
   74    HA   ASN  10           HA       ASN  10 -22.875   3.921  -0.717
   75    HB2  ASN  10           HB2      ASN  10 -21.076   4.694  -3.015
   76    HB3  ASN  10           HB3      ASN  10 -22.732   5.207  -2.836
   77   HD21  ASN  10          HD21      ASN  10 -20.449   6.836  -3.075
   78   HD22  ASN  10          HD22      ASN  10 -20.323   7.774  -1.632
   79    H    THR  11           H        THR  11 -20.964   1.570  -2.200
   80    HA   THR  11           HA       THR  11 -22.347   0.994  -4.538
   81    HB   THR  11           HB       THR  11 -21.438  -1.364  -4.192
   82    HG1  THR  11           HG1      THR  11 -19.705  -0.283  -2.288
   83   HG21  THR  11          HG21      THR  11 -19.154  -0.657  -4.744
   84   HG22  THR  11          HG22      THR  11 -19.545   0.983  -4.229
   85   HG23  THR  11          HG23      THR  11 -20.362   0.277  -5.625
   86    HA   PRO  12           HA       PRO  12 -25.992  -1.036  -2.975
   87    HB2  PRO  12           HB2      PRO  12 -26.496  -1.963  -5.678
   88    HB3  PRO  12           HB3      PRO  12 -27.354  -0.731  -4.760
   89    HG2  PRO  12           HG2      PRO  12 -25.831  -0.157  -6.930
   90    HG3  PRO  12           HG3      PRO  12 -26.077   0.977  -5.592
   91    HD2  PRO  12           HD2      PRO  12 -23.765  -0.842  -6.138
   92    HD3  PRO  12           HD3      PRO  12 -23.767   0.856  -5.621
   93    H    GLY  13           H        GLY  13 -24.075  -2.494  -2.140
   94    HA2  GLY  13           HA2      GLY  13 -23.610  -4.676  -1.568
   95    HA3  GLY  13           HA3      GLY  13 -24.949  -5.173  -2.591
   96    H    PHE  14           H        PHE  14 -21.962  -3.433  -3.362
   97    HA   PHE  14           HA       PHE  14 -21.478  -4.910  -5.720
   98    HB2  PHE  14           HB2      PHE  14 -20.303  -2.693  -4.432
   99    HB3  PHE  14           HB3      PHE  14 -19.019  -3.869  -4.675
  100    HD1  PHE  14           HD1      PHE  14 -21.804  -2.202  -6.497
  101    HD2  PHE  14           HD2      PHE  14 -17.938  -3.967  -6.703
  102    HE1  PHE  14           HE1      PHE  14 -21.621  -1.516  -8.850
  103    HE2  PHE  14           HE2      PHE  14 -17.747  -3.281  -9.056
  104    HZ   PHE  14           HZ       PHE  14 -19.589  -2.056 -10.133
  105    H    SER  15           H        SER  15 -18.978  -5.717  -5.866
  106    HA   SER  15           HA       SER  15 -18.961  -8.272  -4.721
  107    HB2  SER  15           HB2      SER  15 -16.586  -6.757  -5.821
  108    HB3  SER  15           HB3      SER  15 -16.802  -8.507  -5.756
  109    HG   SER  15           HG       SER  15 -17.272  -7.730  -7.831
  110    H    THR  16           H        THR  16 -17.092  -9.122  -3.414
  111    HA   THR  16           HA       THR  16 -17.140  -7.910  -0.881
  112    HB   THR  16           HB       THR  16 -15.154  -9.992  -1.813
  113    HG1  THR  16           HG1      THR  16 -16.780 -11.342  -1.942
  114   HG21  THR  16          HG21      THR  16 -15.244 -10.751   0.512
  115   HG22  THR  16          HG22      THR  16 -16.388  -9.465   0.897
  116   HG23  THR  16          HG23      THR  16 -14.737  -9.064   0.427
  117    H    LEU  17           H        LEU  17 -15.069  -7.420  -3.579
  118    HA   LEU  17           HA       LEU  17 -12.751  -6.463  -2.422
  119    HB2  LEU  17           HB2      LEU  17 -14.222  -5.444  -4.848
  120    HB3  LEU  17           HB3      LEU  17 -12.600  -4.946  -4.410
  121    HG   LEU  17           HG       LEU  17 -13.419  -7.771  -5.083
  122   HD11  LEU  17          HD11      LEU  17 -12.148  -7.410  -7.147
  123   HD12  LEU  17          HD12      LEU  17 -11.913  -5.721  -6.697
  124   HD13  LEU  17          HD13      LEU  17 -13.535  -6.327  -7.030
  125   HD21  LEU  17          HD21      LEU  17 -10.706  -6.552  -4.586
  126   HD22  LEU  17          HD22      LEU  17 -11.007  -8.203  -5.129
  127   HD23  LEU  17          HD23      LEU  17 -11.545  -7.688  -3.531
  128    H    VAL  18           H        VAL  18 -15.910  -4.889  -2.680
  129    HA   VAL  18           HA       VAL  18 -14.826  -2.338  -1.780
  130    HB   VAL  18           HB       VAL  18 -16.963  -1.411  -2.026
  131   HG11  VAL  18          HG11      VAL  18 -17.743  -2.167  -4.227
  132   HG12  VAL  18          HG12      VAL  18 -16.728  -3.602  -4.073
  133   HG13  VAL  18          HG13      VAL  18 -15.990  -2.001  -4.151
  134   HG21  VAL  18          HG21      VAL  18 -18.155  -4.186  -1.990
  135   HG22  VAL  18          HG22      VAL  18 -19.049  -2.678  -2.203
  136   HG23  VAL  18          HG23      VAL  18 -18.227  -3.011  -0.669
  137    H    THR  19           H        THR  19 -16.325  -5.146  -0.477
  138    HA   THR  19           HA       THR  19 -16.988  -3.938   2.028
  139    HB   THR  19           HB       THR  19 -16.735  -6.888   1.739
  140    HG1  THR  19           HG1      THR  19 -19.049  -5.541   0.799
  141   HG21  THR  19          HG21      THR  19 -18.845  -6.757   3.073
  142   HG22  THR  19          HG22      THR  19 -18.675  -4.999   3.073
  143   HG23  THR  19          HG23      THR  19 -17.458  -6.004   3.861
  144    H    ALA  20           H        ALA  20 -14.280  -5.536   0.640
  145    HA   ALA  20           HA       ALA  20 -12.980  -6.387   2.971
  146    HB1  ALA  20           HB1      ALA  20 -11.077  -6.713   1.609
  147    HB2  ALA  20           HB2      ALA  20 -11.680  -5.576   0.406
  148    HB3  ALA  20           HB3      ALA  20 -12.500  -7.116   0.650
  149    H    VAL  21           H        VAL  21 -12.736  -3.291   1.217
  150    HA   VAL  21           HA       VAL  21 -10.971  -2.177   3.200
  151    HB   VAL  21           HB       VAL  21 -10.787  -1.033   1.171
  152   HG11  VAL  21          HG11      VAL  21 -12.796  -1.874   0.065
  153   HG12  VAL  21          HG12      VAL  21 -12.708  -0.119  -0.090
  154   HG13  VAL  21          HG13      VAL  21 -13.806  -0.845   1.082
  155   HG21  VAL  21          HG21      VAL  21 -10.857   0.533   2.996
  156   HG22  VAL  21          HG22      VAL  21 -12.625   0.561   2.946
  157   HG23  VAL  21          HG23      VAL  21 -11.691   1.243   1.607
  158    H    LYS  22           H        LYS  22 -14.447  -2.293   2.711
  159    HA   LYS  22           HA       LYS  22 -15.213  -0.395   4.616
  160    HB2  LYS  22           HB2      LYS  22 -16.505  -2.574   3.141
  161    HB3  LYS  22           HB3      LYS  22 -17.263  -2.233   4.680
  162    HG2  LYS  22           HG2      LYS  22 -17.336   0.165   3.922
  163    HG3  LYS  22           HG3      LYS  22 -16.903  -0.412   2.327
  164    HD2  LYS  22           HD2      LYS  22 -19.283  -1.375   3.878
  165    HD3  LYS  22           HD3      LYS  22 -19.327  -0.089   2.681
  166    HE2  LYS  22           HE2      LYS  22 -18.656  -1.601   0.945
  167    HE3  LYS  22           HE3      LYS  22 -18.401  -2.887   2.104
  168    HZ1  LYS  22           HZ1      LYS  22 -20.801  -2.760   2.629
  169    HZ2  LYS  22           HZ2      LYS  22 -20.481  -3.236   1.042
  170    HZ3  LYS  22           HZ3      LYS  22 -20.985  -1.659   1.360
  171    H    VAL  23           H        VAL  23 -14.627  -3.843   4.855
  172    HA   VAL  23           HA       VAL  23 -15.386  -4.022   7.621
  173    HB   VAL  23           HB       VAL  23 -15.599  -5.963   6.133
  174   HG11  VAL  23          HG11      VAL  23 -13.648  -7.178   5.345
  175   HG12  VAL  23          HG12      VAL  23 -12.582  -5.965   6.058
  176   HG13  VAL  23          HG13      VAL  23 -13.644  -5.525   4.715
  177   HG21  VAL  23          HG21      VAL  23 -13.565  -6.392   8.306
  178   HG22  VAL  23          HG22      VAL  23 -14.638  -7.618   7.625
  179   HG23  VAL  23          HG23      VAL  23 -15.307  -6.269   8.547
  180    H    ALA  24           H        ALA  24 -12.457  -3.630   5.800
  181    HA   ALA  24           HA       ALA  24 -10.647  -4.050   7.952
  182    HB1  ALA  24           HB1      ALA  24 -10.109  -2.548   5.425
  183    HB2  ALA  24           HB2      ALA  24 -10.121  -4.306   5.535
  184    HB3  ALA  24           HB3      ALA  24  -8.951  -3.369   6.467
  185    H    ASN  25           H        ASN  25 -12.777  -1.618   7.416
  186    HA   ASN  25           HA       ASN  25 -13.170   0.373   8.312
  187    HB2  ASN  25           HB2      ASN  25 -12.420   0.793  10.413
  188    HB3  ASN  25           HB3      ASN  25 -11.989  -0.897  10.268
  189   HD21  ASN  25          HD21      ASN  25 -10.642   2.376  10.075
  190   HD22  ASN  25          HD22      ASN  25  -9.037   1.916  10.533
  191    H    LEU  26           H        LEU  26 -10.958  -0.091   6.138
  192    HA   LEU  26           HA       LEU  26  -9.632   2.482   6.311
  193    HB2  LEU  26           HB2      LEU  26  -9.288   0.090   4.619
  194    HB3  LEU  26           HB3      LEU  26  -8.797   1.637   3.951
  195    HG   LEU  26           HG       LEU  26  -7.389   1.967   6.033
  196   HD11  LEU  26          HD11      LEU  26  -8.341  -0.815   6.458
  197   HD12  LEU  26          HD12      LEU  26  -8.129   0.497   7.620
  198   HD13  LEU  26          HD13      LEU  26  -6.725  -0.359   6.979
  199   HD21  LEU  26          HD21      LEU  26  -5.609   0.413   5.216
  200   HD22  LEU  26          HD22      LEU  26  -6.323   1.444   3.976
  201   HD23  LEU  26          HD23      LEU  26  -6.802  -0.258   4.092
  202    H    VAL  27           H        VAL  27 -12.609   1.720   5.450
  203    HA   VAL  27           HA       VAL  27 -12.991   2.867   2.932
  204    HB   VAL  27           HB       VAL  27 -14.650   2.011   5.081
  205   HG11  VAL  27          HG11      VAL  27 -15.088   4.334   5.617
  206   HG12  VAL  27          HG12      VAL  27 -16.522   3.586   4.907
  207   HG13  VAL  27          HG13      VAL  27 -15.515   4.659   3.935
  208   HG21  VAL  27          HG21      VAL  27 -15.195   2.685   2.195
  209   HG22  VAL  27          HG22      VAL  27 -16.338   1.857   3.252
  210   HG23  VAL  27          HG23      VAL  27 -14.790   1.099   2.872
  211    H    GLU  28           H        GLU  28 -12.706   4.282   6.102
  212    HA   GLU  28           HA       GLU  28 -13.038   6.972   5.111
  213    HB2  GLU  28           HB2      GLU  28 -12.391   7.535   7.524
  214    HB3  GLU  28           HB3      GLU  28 -13.915   6.717   7.227
  215    HG2  GLU  28           HG2      GLU  28 -12.920   4.593   7.842
  216    HG3  GLU  28           HG3      GLU  28 -11.366   5.388   8.114
  217    H    ALA  29           H        ALA  29 -10.422   4.813   5.433
  218    HA   ALA  29           HA       ALA  29  -8.418   6.776   5.939
  219    HB1  ALA  29           HB1      ALA  29  -6.846   5.012   5.876
  220    HB2  ALA  29           HB2      ALA  29  -7.956   3.964   4.995
  221    HB3  ALA  29           HB3      ALA  29  -8.285   4.382   6.679
  222    H    LEU  30           H        LEU  30  -8.946   4.578   3.194
  223    HA   LEU  30           HA       LEU  30  -7.276   5.631   1.315
  224    HB2  LEU  30           HB2      LEU  30 -10.022   4.745   0.568
  225    HB3  LEU  30           HB3      LEU  30  -8.539   4.579  -0.343
  226    HG   LEU  30           HG       LEU  30  -9.309   3.063   2.133
  227   HD11  LEU  30          HD11      LEU  30 -10.452   2.367   0.113
  228   HD12  LEU  30          HD12      LEU  30  -9.286   1.145   0.621
  229   HD13  LEU  30          HD13      LEU  30  -8.908   2.224  -0.723
  230   HD21  LEU  30          HD21      LEU  30  -7.258   1.781   1.784
  231   HD22  LEU  30          HD22      LEU  30  -6.928   3.472   2.176
  232   HD23  LEU  30          HD23      LEU  30  -6.780   2.908   0.510
  233    H    GLN  31           H        GLN  31  -9.903   7.268   2.634
  234    HA   GLN  31           HA       GLN  31 -10.978   8.667   0.433
  235    HB2  GLN  31           HB2      GLN  31 -10.977   9.389   3.362
  236    HB3  GLN  31           HB3      GLN  31 -12.002  10.120   2.131
  237    HG2  GLN  31           HG2      GLN  31 -12.031   7.177   2.516
  238    HG3  GLN  31           HG3      GLN  31 -12.900   8.214   3.629
  239   HE21  GLN  31          HE21      GLN  31 -13.620   6.229   1.488
  240   HE22  GLN  31          HE22      GLN  31 -14.878   7.048   0.636
  241    H    SER  32           H        SER  32  -7.960   8.944   1.698
  242    HA   SER  32           HA       SER  32  -7.463  11.646   2.034
  243    HB2  SER  32           HB2      SER  32  -5.106  10.991   1.220
  244    HB3  SER  32           HB3      SER  32  -5.746  10.167   2.641
  245    HG   SER  32           HG       SER  32  -5.892   9.163  -0.012
  246    HA   PRO  33           HA       PRO  33  -8.067  12.976  -2.245
  247    HB2  PRO  33           HB2      PRO  33  -8.426  15.580  -1.686
  248    HB3  PRO  33           HB3      PRO  33  -9.706  14.388  -1.432
  249    HG2  PRO  33           HG2      PRO  33  -7.886  15.673   0.550
  250    HG3  PRO  33           HG3      PRO  33  -9.596  15.241   0.712
  251    HD2  PRO  33           HD2      PRO  33  -7.481  13.761   1.713
  252    HD3  PRO  33           HD3      PRO  33  -9.104  13.124   1.392
  253    H    GLY  34           H        GLY  34  -5.782  13.899   0.150
  254    HA2  GLY  34           HA2      GLY  34  -4.203  15.634  -1.496
  255    HA3  GLY  34           HA3      GLY  34  -3.744  14.970   0.066
  256    HA   PRO  35           HA       PRO  35  -1.043  12.825  -2.786
  257    HB2  PRO  35           HB2      PRO  35   0.930  12.294  -1.022
  258    HB3  PRO  35           HB3      PRO  35   0.728  13.853  -1.824
  259    HG2  PRO  35           HG2      PRO  35   0.187  13.086   0.959
  260    HG3  PRO  35           HG3      PRO  35   0.554  14.675   0.285
  261    HD2  PRO  35           HD2      PRO  35  -1.991  13.691   1.030
  262    HD3  PRO  35           HD3      PRO  35  -1.634  15.197   0.170
  263    H    PHE  36           H        PHE  36  -0.075  10.703  -2.942
  264    HA   PHE  36           HA       PHE  36  -1.352   8.650  -1.334
  265    HB2  PHE  36           HB2      PHE  36  -3.087   8.566  -2.750
  266    HB3  PHE  36           HB3      PHE  36  -2.310   9.650  -3.885
  267    HD1  PHE  36           HD1      PHE  36  -0.407   8.311  -5.360
  268    HD2  PHE  36           HD2      PHE  36  -3.881   6.647  -3.555
  269    HE1  PHE  36           HE1      PHE  36  -0.414   6.509  -7.034
  270    HE2  PHE  36           HE2      PHE  36  -3.901   4.855  -5.234
  271    HZ   PHE  36           HZ       PHE  36  -2.166   4.782  -6.975
  272    H    THR  37           H        THR  37   0.035   7.056  -1.007
  273    HA   THR  37           HA       THR  37   2.410   6.915  -2.737
  274    HB   THR  37           HB       THR  37   2.181   6.648   0.277
  275    HG1  THR  37           HG1      THR  37   2.937   8.630   0.236
  276   HG21  THR  37          HG21      THR  37   3.746   4.973  -0.607
  277   HG22  THR  37          HG22      THR  37   4.596   6.250   0.266
  278   HG23  THR  37          HG23      THR  37   4.597   6.235  -1.500
  279    H    VAL  38           H        VAL  38   2.811   5.009  -3.652
  280    HA   VAL  38           HA       VAL  38   1.347   2.663  -2.616
  281    HB   VAL  38           HB       VAL  38   1.958   3.388  -5.483
  282   HG11  VAL  38          HG11      VAL  38   2.213   0.980  -5.164
  283   HG12  VAL  38          HG12      VAL  38   0.776   1.349  -6.117
  284   HG13  VAL  38          HG13      VAL  38   0.617   0.907  -4.417
  285   HG21  VAL  38          HG21      VAL  38  -0.650   3.066  -4.017
  286   HG22  VAL  38          HG22      VAL  38  -0.469   3.429  -5.733
  287   HG23  VAL  38          HG23      VAL  38   0.077   4.591  -4.523
  288    H    PHE  39           H        PHE  39   2.389   0.766  -2.418
  289    HA   PHE  39           HA       PHE  39   5.191   0.610  -3.293
  290    HB2  PHE  39           HB2      PHE  39   3.676  -1.094  -1.290
  291    HB3  PHE  39           HB3      PHE  39   5.356  -1.335  -1.751
  292    HD1  PHE  39           HD1      PHE  39   7.063   0.328  -1.119
  293    HD2  PHE  39           HD2      PHE  39   3.048   0.581   0.273
  294    HE1  PHE  39           HE1      PHE  39   7.778   1.882   0.648
  295    HE2  PHE  39           HE2      PHE  39   3.756   2.138   2.043
  296    HZ   PHE  39           HZ       PHE  39   6.122   2.791   2.232
  297    H    ALA  40           H        ALA  40   5.399  -0.323  -5.225
  298    HA   ALA  40           HA       ALA  40   3.158  -1.919  -6.236
  299    HB1  ALA  40           HB1      ALA  40   4.040  -1.418  -8.457
  300    HB2  ALA  40           HB2      ALA  40   5.410  -0.579  -7.728
  301    HB3  ALA  40           HB3      ALA  40   3.777   0.057  -7.527
  302    HA   PRO  41           HA       PRO  41   5.848  -5.478  -5.874
  303    HB2  PRO  41           HB2      PRO  41   4.011  -7.320  -6.557
  304    HB3  PRO  41           HB3      PRO  41   3.994  -6.515  -4.984
  305    HG2  PRO  41           HG2      PRO  41   2.341  -5.961  -7.415
  306    HG3  PRO  41           HG3      PRO  41   1.848  -6.011  -5.712
  307    HD2  PRO  41           HD2      PRO  41   2.366  -3.699  -7.080
  308    HD3  PRO  41           HD3      PRO  41   2.544  -3.867  -5.323
  309    H    ASN  42           H        ASN  42   7.220  -6.364  -7.339
  310    HA   ASN  42           HA       ASN  42   6.628  -6.069 -10.169
  311    HB2  ASN  42           HB2      ASN  42   8.875  -6.506 -10.612
  312    HB3  ASN  42           HB3      ASN  42   8.959  -5.763  -9.044
  313   HD21  ASN  42          HD21      ASN  42   9.540  -6.939  -7.296
  314   HD22  ASN  42          HD22      ASN  42  10.305  -8.488  -7.455
  315    H    ASP  43           H        ASP  43   7.698  -8.209 -11.379
  316    HA   ASP  43           HA       ASP  43   5.623 -10.065 -11.357
  317    HB2  ASP  43           HB2      ASP  43   8.423 -10.209 -12.439
  318    HB3  ASP  43           HB3      ASP  43   7.298 -11.552 -12.607
  319    H    ASP  44           H        ASP  44   8.533  -9.996  -9.392
  320    HA   ASP  44           HA       ASP  44   8.225 -12.811  -8.691
  321    HB2  ASP  44           HB2      ASP  44  10.489 -11.732  -9.025
  322    HB3  ASP  44           HB3      ASP  44  10.193 -10.862  -7.528
  323    H    ALA  45           H        ALA  45   7.410  -9.699  -7.605
  324    HA   ALA  45           HA       ALA  45   6.793 -10.462  -4.905
  325    HB1  ALA  45           HB1      ALA  45   6.010  -8.028  -6.486
  326    HB2  ALA  45           HB2      ALA  45   7.408  -8.175  -5.421
  327    HB3  ALA  45           HB3      ALA  45   5.779  -8.251  -4.751
  328    H    PHE  46           H        PHE  46   5.138 -10.024  -7.962
  329    HA   PHE  46           HA       PHE  46   2.499 -10.613  -7.213
  330    HB2  PHE  46           HB2      PHE  46   3.392  -9.800  -9.450
  331    HB3  PHE  46           HB3      PHE  46   3.880 -11.453  -9.770
  332    HD1  PHE  46           HD1      PHE  46   1.059  -9.155  -9.460
  333    HD2  PHE  46           HD2      PHE  46   2.243 -13.163 -10.264
  334    HE1  PHE  46           HE1      PHE  46  -1.170  -9.625 -10.383
  335    HE2  PHE  46           HE2      PHE  46   0.013 -13.641 -11.186
  336    HZ   PHE  46           HZ       PHE  46  -1.697 -11.869 -11.247
  337    H    ALA  47           H        ALA  47   5.311 -12.466  -7.377
  338    HA   ALA  47           HA       ALA  47   4.053 -15.059  -7.572
  339    HB1  ALA  47           HB1      ALA  47   6.920 -14.218  -7.185
  340    HB2  ALA  47           HB2      ALA  47   6.153 -14.722  -8.689
  341    HB3  ALA  47           HB3      ALA  47   6.376 -15.887  -7.384
  342    H    LYS  48           H        LYS  48   4.749 -12.828  -5.140
  343    HA   LYS  48           HA       LYS  48   5.066 -14.776  -2.994
  344    HB2  LYS  48           HB2      LYS  48   4.535 -11.860  -2.570
  345    HB3  LYS  48           HB3      LYS  48   5.471 -12.976  -1.587
  346    HG2  LYS  48           HG2      LYS  48   6.299 -12.049  -4.307
  347    HG3  LYS  48           HG3      LYS  48   6.815 -11.287  -2.806
  348    HD2  LYS  48           HD2      LYS  48   7.255 -14.186  -3.476
  349    HD3  LYS  48           HD3      LYS  48   8.438 -12.909  -3.790
  350    HE2  LYS  48           HE2      LYS  48   8.365 -12.356  -1.355
  351    HE3  LYS  48           HE3      LYS  48   7.358 -13.785  -1.121
  352    HZ1  LYS  48           HZ1      LYS  48   9.734 -14.184  -0.677
  353    HZ2  LYS  48           HZ2      LYS  48  10.086 -13.830  -2.292
  354    HZ3  LYS  48           HZ3      LYS  48   9.129 -15.170  -1.910
  355    H    LEU  49           H        LEU  49   2.699 -12.852  -4.540
  356    HA   LEU  49           HA       LEU  49   0.646 -12.521  -2.839
  357    HB2  LEU  49           HB2      LEU  49   0.628 -13.326  -5.720
  358    HB3  LEU  49           HB3      LEU  49  -0.843 -12.942  -4.852
  359    HG   LEU  49           HG       LEU  49   1.491 -11.099  -5.329
  360   HD11  LEU  49          HD11      LEU  49   0.045 -11.431  -7.267
  361   HD12  LEU  49          HD12      LEU  49  -0.083  -9.796  -6.615
  362   HD13  LEU  49          HD13      LEU  49  -1.354 -10.977  -6.292
  363   HD21  LEU  49          HD21      LEU  49  -1.018 -10.723  -3.716
  364   HD22  LEU  49          HD22      LEU  49   0.025  -9.402  -4.240
  365   HD23  LEU  49          HD23      LEU  49   0.654 -10.644  -3.156
  366    HA   PRO  50           HA       PRO  50  -0.991 -17.203  -3.961
  367    HB2  PRO  50           HB2      PRO  50   1.772 -18.186  -3.347
  368    HB3  PRO  50           HB3      PRO  50   0.513 -18.933  -4.335
  369    HG2  PRO  50           HG2      PRO  50   2.557 -17.585  -5.438
  370    HG3  PRO  50           HG3      PRO  50   0.933 -17.574  -6.145
  371    HD2  PRO  50           HD2      PRO  50   2.397 -15.408  -4.785
  372    HD3  PRO  50           HD3      PRO  50   0.993 -15.321  -5.869
  373    H    ASP  51           H        ASP  51   1.750 -16.749  -1.742
  374    HA   ASP  51           HA       ASP  51   0.072 -16.533   0.544
  375    HB2  ASP  51           HB2      ASP  51  -0.022 -18.974   0.328
  376    HB3  ASP  51           HB3      ASP  51   1.738 -19.049   0.290
  377    H    GLY  52           H        GLY  52   1.164 -14.694   1.022
  378    HA2  GLY  52           HA2      GLY  52   4.000 -15.018   1.706
  379    HA3  GLY  52           HA3      GLY  52   3.542 -13.762   0.570
  380    H    THR  53           H        THR  53   4.168 -12.062   1.761
  381    HA   THR  53           HA       THR  53   3.824 -11.784   4.535
  382    HB   THR  53           HB       THR  53   4.264  -9.700   2.415
  383    HG1  THR  53           HG1      THR  53   5.967 -11.342   3.979
  384   HG21  THR  53          HG21      THR  53   4.474  -9.575   5.417
  385   HG22  THR  53          HG22      THR  53   3.518  -8.543   4.341
  386   HG23  THR  53          HG23      THR  53   5.280  -8.423   4.355
  387    H    ILE  54           H        ILE  54   2.171 -10.056   1.884
  388    HA   ILE  54           HA       ILE  54   0.394  -8.691   3.448
  389    HB   ILE  54           HB       ILE  54   0.716  -9.200   0.663
  390   HG12  ILE  54          HG12      ILE  54  -0.222  -6.855   0.629
  391   HG13  ILE  54          HG13      ILE  54  -0.507  -7.035   2.356
  392   HG21  ILE  54          HG21      ILE  54  -1.454 -10.315   0.772
  393   HG22  ILE  54          HG22      ILE  54  -1.576  -8.776  -0.080
  394   HG23  ILE  54          HG23      ILE  54  -2.141  -8.908   1.585
  395   HD11  ILE  54          HD11      ILE  54   2.128  -6.956   0.953
  396   HD12  ILE  54          HD12      ILE  54   1.939  -7.464   2.631
  397   HD13  ILE  54          HD13      ILE  54   1.480  -5.827   2.144
  398    H    THR  55           H        THR  55   0.353 -11.978   2.506
  399    HA   THR  55           HA       THR  55  -2.308 -12.627   3.062
  400    HB   THR  55           HB       THR  55   0.123 -14.314   3.532
  401    HG1  THR  55           HG1      THR  55  -1.530 -13.853   1.275
  402   HG21  THR  55          HG21      THR  55  -2.728 -15.197   3.126
  403   HG22  THR  55          HG22      THR  55  -1.972 -15.037   4.709
  404   HG23  THR  55          HG23      THR  55  -1.345 -16.210   3.543
  405    H    SER  56           H        SER  56   0.430 -12.312   5.285
  406    HA   SER  56           HA       SER  56  -1.123 -13.144   7.539
  407    HB2  SER  56           HB2      SER  56   1.314 -13.528   7.465
  408    HB3  SER  56           HB3      SER  56   1.581 -11.788   7.394
  409    HG   SER  56           HG       SER  56   0.314 -13.186   9.521
  410    H    LEU  57           H        LEU  57  -0.095 -10.285   6.010
  411    HA   LEU  57           HA       LEU  57  -0.973  -8.364   7.853
  412    HB2  LEU  57           HB2      LEU  57  -0.272  -8.342   5.023
  413    HB3  LEU  57           HB3      LEU  57  -1.087  -6.950   5.661
  414    HG   LEU  57           HG       LEU  57   0.733  -6.640   7.277
  415   HD11  LEU  57          HD11      LEU  57   1.441  -8.964   7.499
  416   HD12  LEU  57          HD12      LEU  57   2.796  -7.912   7.088
  417   HD13  LEU  57          HD13      LEU  57   2.068  -8.935   5.850
  418   HD21  LEU  57          HD21      LEU  57   0.972  -5.361   5.325
  419   HD22  LEU  57          HD22      LEU  57   1.382  -6.772   4.349
  420   HD23  LEU  57          HD23      LEU  57   2.542  -6.150   5.527
  421    H    VAL  58           H        VAL  58  -2.666 -10.376   5.677
  422    HA   VAL  58           HA       VAL  58  -4.956  -8.576   5.547
  423    HB   VAL  58           HB       VAL  58  -4.087  -9.941   3.542
  424   HG11  VAL  58          HG11      VAL  58  -4.928 -12.186   3.288
  425   HG12  VAL  58          HG12      VAL  58  -5.690 -12.116   4.877
  426   HG13  VAL  58          HG13      VAL  58  -3.930 -12.098   4.745
  427   HG21  VAL  58          HG21      VAL  58  -6.179  -8.687   3.568
  428   HG22  VAL  58          HG22      VAL  58  -7.008 -10.085   4.256
  429   HG23  VAL  58          HG23      VAL  58  -6.322 -10.176   2.633
  430    H    GLN  59           H        GLN  59  -3.794 -11.266   7.357
  431    HA   GLN  59           HA       GLN  59  -6.283 -12.478   7.854
  432    HB2  GLN  59           HB2      GLN  59  -3.753 -12.688   9.444
  433    HB3  GLN  59           HB3      GLN  59  -5.097 -13.816   9.468
  434    HG2  GLN  59           HG2      GLN  59  -3.932 -13.248   6.846
  435    HG3  GLN  59           HG3      GLN  59  -2.943 -14.159   7.957
  436   HE21  GLN  59          HE21      GLN  59  -4.160 -14.968   5.462
  437   HE22  GLN  59          HE22      GLN  59  -5.190 -16.310   5.820
  438    H    ASN  60           H        ASN  60  -4.302 -10.309   9.821
  439    HA   ASN  60           HA       ASN  60  -6.764  -9.696  11.197
  440    HB2  ASN  60           HB2      ASN  60  -4.709 -11.378  12.127
  441    HB3  ASN  60           HB3      ASN  60  -4.749  -9.956  13.134
  442   HD21  ASN  60          HD21      ASN  60  -6.339 -12.794  12.123
  443   HD22  ASN  60          HD22      ASN  60  -7.631 -12.764  13.279
  444    HA   PRO  61           HA       PRO  61  -4.488  -5.746  11.603
  445    HB2  PRO  61           HB2      PRO  61  -3.051  -5.298   9.153
  446    HB3  PRO  61           HB3      PRO  61  -2.433  -5.279  10.807
  447    HG2  PRO  61           HG2      PRO  61  -1.747  -7.162   8.962
  448    HG3  PRO  61           HG3      PRO  61  -1.749  -7.457  10.708
  449    HD2  PRO  61           HD2      PRO  61  -3.858  -8.154   8.675
  450    HD3  PRO  61           HD3      PRO  61  -3.188  -9.152   9.986
  451    HA   PRO  62           HA       PRO  62  -7.711  -3.997   9.043
  452    HB2  PRO  62           HB2      PRO  62  -6.361  -1.432   9.555
  453    HB3  PRO  62           HB3      PRO  62  -8.028  -1.915   9.886
  454    HG2  PRO  62           HG2      PRO  62  -6.288  -1.678  11.859
  455    HG3  PRO  62           HG3      PRO  62  -7.451  -3.010  11.857
  456    HD2  PRO  62           HD2      PRO  62  -4.546  -3.026  11.102
  457    HD3  PRO  62           HD3      PRO  62  -5.459  -4.197  12.078
  458    H    GLN  63           H        GLN  63  -4.364  -3.632   8.454
  459    HA   GLN  63           HA       GLN  63  -4.157  -1.840   6.397
  460    HB2  GLN  63           HB2      GLN  63  -2.278  -2.836   7.566
  461    HB3  GLN  63           HB3      GLN  63  -2.553  -4.341   6.700
  462    HG2  GLN  63           HG2      GLN  63  -2.474  -2.495   4.695
  463    HG3  GLN  63           HG3      GLN  63  -1.256  -1.887   5.820
  464   HE21  GLN  63          HE21      GLN  63  -2.254  -5.147   5.143
  465   HE22  GLN  63          HE22      GLN  63  -0.758  -5.642   4.530
  466    H    LEU  64           H        LEU  64  -5.639  -4.905   6.185
  467    HA   LEU  64           HA       LEU  64  -5.426  -5.694   3.594
  468    HB2  LEU  64           HB2      LEU  64  -6.788  -7.019   4.836
  469    HB3  LEU  64           HB3      LEU  64  -7.633  -5.677   5.576
  470    HG   LEU  64           HG       LEU  64  -8.627  -5.297   3.237
  471   HD11  LEU  64          HD11      LEU  64  -8.792  -7.207   1.805
  472   HD12  LEU  64          HD12      LEU  64  -7.875  -8.191   2.939
  473   HD13  LEU  64          HD13      LEU  64  -7.087  -6.856   2.093
  474   HD21  LEU  64          HD21      LEU  64  -9.493  -7.774   4.701
  475   HD22  LEU  64          HD22      LEU  64 -10.477  -6.695   3.703
  476   HD23  LEU  64          HD23      LEU  64  -9.836  -6.130   5.254
  477    H    GLY  65           H        GLY  65  -7.519  -3.167   4.851
  478    HA2  GLY  65           HA2      GLY  65  -9.031  -2.529   2.653
  479    HA3  GLY  65           HA3      GLY  65  -8.551  -1.372   3.858
  480    H    ARG  66           H        ARG  66  -5.723  -1.605   3.221
  481    HA   ARG  66           HA       ARG  66  -5.612   0.425   1.230
  482    HB2  ARG  66           HB2      ARG  66  -3.805   0.859   2.431
  483    HB3  ARG  66           HB3      ARG  66  -3.972  -0.677   3.266
  484    HG2  ARG  66           HG2      ARG  66  -2.872  -1.668   1.132
  485    HG3  ARG  66           HG3      ARG  66  -2.313  -0.009   0.883
  486    HD2  ARG  66           HD2      ARG  66  -2.042  -0.981   3.594
  487    HD3  ARG  66           HD3      ARG  66  -1.072  -1.889   2.417
  488    HE   ARG  66           HE       ARG  66  -0.852   0.965   2.107
  489   HH11  ARG  66          HH11      ARG  66   0.408  -1.745   3.961
  490   HH12  ARG  66          HH12      ARG  66   1.890  -0.934   4.351
  491   HH21  ARG  66          HH21      ARG  66   1.102   2.010   2.628
  492   HH22  ARG  66          HH22      ARG  66   2.282   1.200   3.602
  493    H    ILE  67           H        ILE  67  -5.072  -2.943   1.433
  494    HA   ILE  67           HA       ILE  67  -3.315  -3.265  -0.745
  495    HB   ILE  67           HB       ILE  67  -5.058  -5.276   0.661
  496   HG12  ILE  67          HG12      ILE  67  -2.302  -4.207   1.366
  497   HG13  ILE  67          HG13      ILE  67  -3.799  -3.910   2.234
  498   HG21  ILE  67          HG21      ILE  67  -3.324  -6.875   0.018
  499   HG22  ILE  67          HG22      ILE  67  -2.483  -5.601  -0.867
  500   HG23  ILE  67          HG23      ILE  67  -4.096  -6.119  -1.382
  501   HD11  ILE  67          HD11      ILE  67  -2.554  -5.527   3.421
  502   HD12  ILE  67          HD12      ILE  67  -2.376  -6.534   1.978
  503   HD13  ILE  67          HD13      ILE  67  -3.965  -6.325   2.717
  504    H    LEU  68           H        LEU  68  -6.770  -3.835  -0.314
  505    HA   LEU  68           HA       LEU  68  -7.349  -5.216  -2.590
  506    HB2  LEU  68           HB2      LEU  68  -9.004  -3.139  -1.194
  507    HB3  LEU  68           HB3      LEU  68  -9.620  -4.067  -2.536
  508    HG   LEU  68           HG       LEU  68 -10.428  -5.381  -0.924
  509   HD11  LEU  68          HD11      LEU  68  -8.967  -7.205  -0.274
  510   HD12  LEU  68          HD12      LEU  68  -7.563  -6.256  -0.759
  511   HD13  LEU  68          HD13      LEU  68  -8.737  -6.773  -1.968
  512   HD21  LEU  68          HD21      LEU  68  -8.231  -4.610   0.978
  513   HD22  LEU  68          HD22      LEU  68  -9.787  -5.370   1.378
  514   HD23  LEU  68          HD23      LEU  68  -9.730  -3.702   0.791
  515    H    LYS  69           H        LYS  69  -7.326  -1.651  -2.298
  516    HA   LYS  69           HA       LYS  69  -8.139  -1.452  -5.072
  517    HB2  LYS  69           HB2      LYS  69  -7.671   0.644  -2.954
  518    HB3  LYS  69           HB3      LYS  69  -8.201   1.004  -4.590
  519    HG2  LYS  69           HG2      LYS  69  -9.815  -0.992  -3.151
  520    HG3  LYS  69           HG3      LYS  69  -9.858   0.645  -2.494
  521    HD2  LYS  69           HD2      LYS  69 -11.656   0.383  -4.078
  522    HD3  LYS  69           HD3      LYS  69 -10.457   1.487  -4.748
  523    HE2  LYS  69           HE2      LYS  69  -9.527  -0.375  -6.071
  524    HE3  LYS  69           HE3      LYS  69 -10.791  -1.430  -5.441
  525    HZ1  LYS  69           HZ1      LYS  69 -11.192   0.992  -7.107
  526    HZ2  LYS  69           HZ2      LYS  69 -12.439   0.062  -6.447
  527    HZ3  LYS  69           HZ3      LYS  69 -11.405  -0.611  -7.603
  528    H    TYR  70           H        TYR  70  -5.466   0.062  -3.190
  529    HA   TYR  70           HA       TYR  70  -4.025   0.216  -5.752
  530    HB2  TYR  70           HB2      TYR  70  -4.161   2.331  -3.612
  531    HB3  TYR  70           HB3      TYR  70  -3.079   2.387  -4.997
  532    HD1  TYR  70           HD1      TYR  70  -4.236   2.234  -7.336
  533    HD2  TYR  70           HD2      TYR  70  -6.235   3.333  -3.748
  534    HE1  TYR  70           HE1      TYR  70  -5.977   3.359  -8.657
  535    HE2  TYR  70           HE2      TYR  70  -7.982   4.456  -5.058
  536    HH   TYR  70           HH       TYR  70  -8.117   5.534  -7.382
  537    H    HIS  71           H        HIS  71  -3.840  -0.918  -2.579
  538    HA   HIS  71           HA       HIS  71  -2.147  -1.592  -1.191
  539    HB2  HIS  71           HB2      HIS  71  -1.386  -2.608  -3.477
  540    HB3  HIS  71           HB3      HIS  71  -0.208  -1.306  -3.490
  541    HD1  HIS  71           HD1      HIS  71  -0.778  -4.676  -2.261
  542    HD2  HIS  71           HD2      HIS  71   1.686  -1.483  -1.264
  543    HE1  HIS  71           HE1      HIS  71   1.057  -5.655  -0.854
  544    HE2  HIS  71           HE2      HIS  71   2.671  -3.759  -0.512
  545    H    VAL  72           H        VAL  72  -2.879   0.991  -1.052
  546    HA   VAL  72           HA       VAL  72  -0.522   2.699  -1.441
  547    HB   VAL  72           HB       VAL  72  -2.474   3.194  -2.875
  548   HG11  VAL  72          HG11      VAL  72  -4.251   2.473  -1.393
  549   HG12  VAL  72          HG12      VAL  72  -4.508   4.147  -1.886
  550   HG13  VAL  72          HG13      VAL  72  -3.880   3.787  -0.278
  551   HG21  VAL  72          HG21      VAL  72  -0.984   5.019  -2.340
  552   HG22  VAL  72          HG22      VAL  72  -1.849   5.324  -0.834
  553   HG23  VAL  72          HG23      VAL  72  -2.646   5.614  -2.380
  554    H    VAL  73           H        VAL  73  -0.154   4.405  -0.032
  555    HA   VAL  73           HA       VAL  73  -1.761   4.619   2.397
  556    HB   VAL  73           HB       VAL  73   0.163   3.555   3.281
  557   HG11  VAL  73          HG11      VAL  73   1.966   5.518   1.888
  558   HG12  VAL  73          HG12      VAL  73   1.562   3.946   1.191
  559   HG13  VAL  73          HG13      VAL  73   2.416   4.037   2.735
  560   HG21  VAL  73          HG21      VAL  73   0.637   6.504   3.546
  561   HG22  VAL  73          HG22      VAL  73   1.132   5.241   4.681
  562   HG23  VAL  73          HG23      VAL  73  -0.589   5.591   4.449
  563    H    ALA  74           H        ALA  74  -2.276   6.697   2.876
  564    HA   ALA  74           HA       ALA  74  -1.745   8.793   0.992
  565    HB1  ALA  74           HB1      ALA  74  -3.831   8.806   2.142
  566    HB2  ALA  74           HB2      ALA  74  -2.907  10.184   2.751
  567    HB3  ALA  74           HB3      ALA  74  -3.040   8.706   3.718
  568    H    GLY  75           H        GLY  75  -0.456  10.487   1.127
  569    HA2  GLY  75           HA2      GLY  75   0.941  11.973   2.491
  570    HA3  GLY  75           HA3      GLY  75   1.434  10.543   3.389
  571    H    ALA  76           H        ALA  76   1.932  12.456   0.630
  572    HA   ALA  76           HA       ALA  76   3.414  10.765  -1.012
  573    HB1  ALA  76           HB1      ALA  76   4.316  12.820  -2.002
  574    HB2  ALA  76           HB2      ALA  76   3.632  13.746  -0.664
  575    HB3  ALA  76           HB3      ALA  76   2.570  12.894  -1.781
  576    H    TYR  77           H        TYR  77   4.985   9.578  -0.143
  577    HA   TYR  77           HA       TYR  77   7.239  11.038   1.102
  578    HB2  TYR  77           HB2      TYR  77   6.934   8.081   1.452
  579    HB3  TYR  77           HB3      TYR  77   7.754   9.245   2.472
  580    HD1  TYR  77           HD1      TYR  77   6.063  11.005   3.636
  581    HD2  TYR  77           HD2      TYR  77   5.039   7.117   2.248
  582    HE1  TYR  77           HE1      TYR  77   4.186  10.934   5.226
  583    HE2  TYR  77           HE2      TYR  77   3.150   7.036   3.817
  584    HH   TYR  77           HH       TYR  77   1.980   9.741   5.427
  585    H    LYS  78           H        LYS  78   9.041  11.107  -0.194
  586    HA   LYS  78           HA       LYS  78   9.342   9.169  -2.307
  587    HB2  LYS  78           HB2      LYS  78  11.183  11.369  -1.384
  588    HB3  LYS  78           HB3      LYS  78  11.558  10.266  -2.702
  589    HG2  LYS  78           HG2      LYS  78  10.679  11.993  -3.901
  590    HG3  LYS  78           HG3      LYS  78   9.219  11.072  -3.581
  591    HD2  LYS  78           HD2      LYS  78   9.447  12.662  -1.359
  592    HD3  LYS  78           HD3      LYS  78   9.945  13.725  -2.682
  593    HE2  LYS  78           HE2      LYS  78   7.912  13.110  -3.906
  594    HE3  LYS  78           HE3      LYS  78   7.430  12.088  -2.552
  595    HZ1  LYS  78           HZ1      LYS  78   7.863  15.021  -2.357
  596    HZ2  LYS  78           HZ2      LYS  78   7.245  14.012  -1.152
  597    HZ3  LYS  78           HZ3      LYS  78   6.351  14.298  -2.559
  598    H    ALA  79           H        ALA  79  11.453   7.876  -2.384
  599    HA   ALA  79           HA       ALA  79  11.329   6.025  -0.358
  600    HB1  ALA  79           HB1      ALA  79  13.460   5.148  -1.137
  601    HB2  ALA  79           HB2      ALA  79  13.755   6.640  -2.036
  602    HB3  ALA  79           HB3      ALA  79  12.422   5.582  -2.497
  603    H    THR  80           H        THR  80  13.211   8.946  -0.533
  604    HA   THR  80           HA       THR  80  15.098   8.230   1.545
  605    HB   THR  80           HB       THR  80  15.743   9.801  -0.207
  606    HG1  THR  80           HG1      THR  80  16.296  10.113   2.240
  607   HG21  THR  80          HG21      THR  80  13.603  11.621   0.901
  608   HG22  THR  80          HG22      THR  80  13.565  10.807  -0.662
  609   HG23  THR  80          HG23      THR  80  14.773  12.050  -0.346
  610    H    ASP  81           H        ASP  81  11.953   9.683   1.449
  611    HA   ASP  81           HA       ASP  81  12.126  10.983   3.996
  612    HB2  ASP  81           HB2      ASP  81  10.489  11.500   2.072
  613    HB3  ASP  81           HB3      ASP  81   9.582  10.103   2.634
  614    H    LEU  82           H        LEU  82  10.862   7.940   2.737
  615    HA   LEU  82           HA       LEU  82   9.958   6.849   5.117
  616    HB2  LEU  82           HB2      LEU  82  11.069   5.562   2.639
  617    HB3  LEU  82           HB3      LEU  82  10.290   4.670   3.932
  618    HG   LEU  82           HG       LEU  82   8.458   4.936   2.683
  619   HD11  LEU  82          HD11      LEU  82   8.534   7.756   3.670
  620   HD12  LEU  82          HD12      LEU  82   8.073   6.370   4.653
  621   HD13  LEU  82          HD13      LEU  82   7.106   6.811   3.247
  622   HD21  LEU  82          HD21      LEU  82   9.697   5.752   0.777
  623   HD22  LEU  82          HD22      LEU  82   9.632   7.386   1.437
  624   HD23  LEU  82          HD23      LEU  82   8.148   6.574   0.938
  625    H    LYS  83           H        LYS  83  13.221   6.603   3.671
  626    HA   LYS  83           HA       LYS  83  14.263   5.036   5.703
  627    HB2  LYS  83           HB2      LYS  83  16.153   6.721   4.234
  628    HB3  LYS  83           HB3      LYS  83  16.001   4.995   4.413
  629    HG2  LYS  83           HG2      LYS  83  14.289   4.950   2.772
  630    HG3  LYS  83           HG3      LYS  83  14.614   6.657   2.467
  631    HD2  LYS  83           HD2      LYS  83  15.790   5.137   0.878
  632    HD3  LYS  83           HD3      LYS  83  16.862   6.205   1.781
  633    HE2  LYS  83           HE2      LYS  83  17.471   4.412   3.271
  634    HE3  LYS  83           HE3      LYS  83  16.291   3.337   2.527
  635    HZ1  LYS  83           HZ1      LYS  83  18.639   4.499   1.128
  636    HZ2  LYS  83           HZ2      LYS  83  17.553   3.368   0.496
  637    HZ3  LYS  83           HZ3      LYS  83  18.578   2.937   1.772
  638    H    ARG  84           H        ARG  84  14.020   8.515   5.202
  639    HA   ARG  84           HA       ARG  84  15.617   9.404   7.288
  640    HB2  ARG  84           HB2      ARG  84  13.730  10.471   5.523
  641    HB3  ARG  84           HB3      ARG  84  13.137  10.856   7.127
  642    HG2  ARG  84           HG2      ARG  84  14.802  12.304   7.552
  643    HG3  ARG  84           HG3      ARG  84  15.998  11.319   6.707
  644    HD2  ARG  84           HD2      ARG  84  15.080  12.058   4.573
  645    HD3  ARG  84           HD3      ARG  84  13.923  13.084   5.422
  646    HE   ARG  84           HE       ARG  84  16.555  13.695   6.251
  647   HH11  ARG  84          HH11      ARG  84  14.409  14.104   3.511
  648   HH12  ARG  84          HH12      ARG  84  15.209  15.538   2.946
  649   HH21  ARG  84          HH21      ARG  84  17.580  15.594   5.520
  650   HH22  ARG  84          HH22      ARG  84  17.003  16.384   4.086
  651    H    MET  85           H        MET  85  12.336   8.227   7.163
  652    HA   MET  85           HA       MET  85  11.912   8.294   9.992
  653    HB2  MET  85           HB2      MET  85  10.464   6.741   7.848
  654    HB3  MET  85           HB3      MET  85   9.928   6.919   9.507
  655    HG2  MET  85           HG2      MET  85   9.677   9.302   9.179
  656    HG3  MET  85           HG3      MET  85  10.265   9.148   7.528
  657    HE1  MET  85           HE1      MET  85   7.576  10.634   8.087
  658    HE2  MET  85           HE2      MET  85   6.514   9.921   6.873
  659    HE3  MET  85           HE3      MET  85   8.183  10.316   6.462
  660    H    GLY  86           H        GLY  86  12.878   5.787   7.605
  661    HA2  GLY  86           HA2      GLY  86  13.902   3.736   8.043
  662    HA3  GLY  86           HA3      GLY  86  13.917   4.127   9.756
  663    H    ILE  87           H        ILE  87  10.911   4.601   8.412
  664    HA   ILE  87           HA       ILE  87   9.826   2.001   8.558
  665    HB   ILE  87           HB       ILE  87  10.185   2.912  11.026
  666   HG12  ILE  87          HG12      ILE  87   7.473   1.788  10.354
  667   HG13  ILE  87          HG13      ILE  87   8.925   0.818  10.178
  668   HG21  ILE  87          HG21      ILE  87   8.184   4.065  11.840
  669   HG22  ILE  87          HG22      ILE  87   7.583   4.146  10.181
  670   HG23  ILE  87          HG23      ILE  87   9.050   5.018  10.630
  671   HD11  ILE  87          HD11      ILE  87   7.838   0.373  12.279
  672   HD12  ILE  87          HD12      ILE  87   7.926   2.080  12.712
  673   HD13  ILE  87          HD13      ILE  87   9.404   1.131  12.549
  674    H    VAL  88           H        VAL  88   7.539   2.044   8.101
  675    HA   VAL  88           HA       VAL  88   6.548   4.581   7.003
  676    HB   VAL  88           HB       VAL  88   5.598   3.199   5.091
  677   HG11  VAL  88          HG11      VAL  88   7.381   4.669   4.633
  678   HG12  VAL  88          HG12      VAL  88   7.841   3.124   3.918
  679   HG13  VAL  88          HG13      VAL  88   8.548   3.634   5.460
  680   HG21  VAL  88          HG21      VAL  88   5.940   0.999   6.126
  681   HG22  VAL  88          HG22      VAL  88   7.691   1.241   6.061
  682   HG23  VAL  88          HG23      VAL  88   6.753   1.110   4.563
  683    H    THR  89           H        THR  89   4.364   4.916   7.298
  684    HA   THR  89           HA       THR  89   2.971   2.774   8.753
  685    HB   THR  89           HB       THR  89   2.164   5.668   8.881
  686    HG1  THR  89           HG1      THR  89   4.371   5.533   9.531
  687   HG21  THR  89          HG21      THR  89   1.297   4.934  11.080
  688   HG22  THR  89          HG22      THR  89   1.855   3.292  10.730
  689   HG23  THR  89          HG23      THR  89   0.591   4.031   9.739
  690    H    SER  90           H        SER  90   1.083   2.042   8.058
  691    HA   SER  90           HA       SER  90   0.182   2.557   5.413
  692    HB2  SER  90           HB2      SER  90  -0.076   0.357   6.279
  693    HB3  SER  90           HB3      SER  90  -0.884   0.924   7.736
  694    HG   SER  90           HG       SER  90  -2.323   0.004   6.188
  695    H    LEU  91           H        LEU  91  -2.177   3.107   4.908
  696    HA   LEU  91           HA       LEU  91  -3.077   5.506   5.922
  697    HB2  LEU  91           HB2      LEU  91  -4.206   3.528   4.201
  698    HB3  LEU  91           HB3      LEU  91  -5.342   3.936   5.391
  699    HG   LEU  91           HG       LEU  91  -5.980   5.510   4.140
  700   HD11  LEU  91          HD11      LEU  91  -4.563   6.757   5.741
  701   HD12  LEU  91          HD12      LEU  91  -4.831   7.579   4.201
  702   HD13  LEU  91          HD13      LEU  91  -3.300   6.759   4.508
  703   HD21  LEU  91          HD21      LEU  91  -3.461   5.426   2.607
  704   HD22  LEU  91          HD22      LEU  91  -5.045   5.991   2.075
  705   HD23  LEU  91          HD23      LEU  91  -4.777   4.276   2.409
  706    H    GLU  92           H        GLU  92  -3.528   2.237   7.059
  707    HA   GLU  92           HA       GLU  92  -5.645   2.895   8.911
  708    HB2  GLU  92           HB2      GLU  92  -5.477   0.555   9.598
  709    HB3  GLU  92           HB3      GLU  92  -5.534   0.695   7.837
  710    HG2  GLU  92           HG2      GLU  92  -3.696  -0.527   7.722
  711    HG3  GLU  92           HG3      GLU  92  -2.825   0.759   8.547
  712    H    GLY  93           H        GLY  93  -2.235   2.796   8.932
  713    HA2  GLY  93           HA2      GLY  93  -1.102   3.912  10.787
  714    HA3  GLY  93           HA3      GLY  93  -2.235   3.115  11.861
  715    H    SER  94           H        SER  94  -1.152   1.017   9.394
  716    HA   SER  94           HA       SER  94   0.395  -0.459  11.279
  717    HB2  SER  94           HB2      SER  94  -0.684  -0.930   8.581
  718    HB3  SER  94           HB3      SER  94   0.818  -1.769   8.951
  719    HG   SER  94           HG       SER  94  -1.724  -2.220   9.874
  720    H    THR  95           H        THR  95   2.470  -0.117  11.692
  721    HA   THR  95           HA       THR  95   4.112   1.349   9.816
  722    HB   THR  95           HB       THR  95   5.732   0.599  11.938
  723    HG1  THR  95           HG1      THR  95   3.647   1.597  13.368
  724   HG21  THR  95          HG21      THR  95   4.049   3.085  11.612
  725   HG22  THR  95          HG22      THR  95   5.627   2.800  10.874
  726   HG23  THR  95          HG23      THR  95   5.483   2.935  12.628
  727    H    ILE  96           H        ILE  96   5.774   0.621   8.698
  728    HA   ILE  96           HA       ILE  96   6.657  -2.159   8.992
  729    HB   ILE  96           HB       ILE  96   5.790  -0.736   6.513
  730   HG12  ILE  96          HG12      ILE  96   5.042  -3.159   5.987
  731   HG13  ILE  96          HG13      ILE  96   5.328  -3.450   7.701
  732   HG21  ILE  96          HG21      ILE  96   7.981  -1.243   5.879
  733   HG22  ILE  96          HG22      ILE  96   6.970  -2.516   5.193
  734   HG23  ILE  96          HG23      ILE  96   7.919  -2.828   6.646
  735   HD11  ILE  96          HD11      ILE  96   2.989  -2.973   7.274
  736   HD12  ILE  96          HD12      ILE  96   3.420  -1.425   6.547
  737   HD13  ILE  96          HD13      ILE  96   3.709  -1.702   8.264
  738    HA   PRO  97           HA       PRO  97  10.431   0.141   9.467
  739    HB2  PRO  97           HB2      PRO  97  11.942  -2.340   9.296
  740    HB3  PRO  97           HB3      PRO  97  11.639  -1.318  10.703
  741    HG2  PRO  97           HG2      PRO  97  10.563  -3.803  10.383
  742    HG3  PRO  97           HG3      PRO  97   9.801  -2.519  11.338
  743    HD2  PRO  97           HD2      PRO  97   9.170  -3.470   8.577
  744    HD3  PRO  97           HD3      PRO  97   8.075  -2.944   9.872
  745    H    ILE  98           H        ILE  98  11.656   1.154   8.144
  746    HA   ILE  98           HA       ILE  98  12.135   0.156   5.459
  747    HB   ILE  98           HB       ILE  98  12.469   2.860   6.737
  748   HG12  ILE  98          HG12      ILE  98  10.165   2.143   6.318
  749   HG13  ILE  98          HG13      ILE  98  10.620   3.483   5.276
  750   HG21  ILE  98          HG21      ILE  98  13.058   2.034   3.906
  751   HG22  ILE  98          HG22      ILE  98  14.205   2.651   5.098
  752   HG23  ILE  98          HG23      ILE  98  12.939   3.702   4.466
  753   HD11  ILE  98          HD11      ILE  98  10.816   2.059   3.394
  754   HD12  ILE  98          HD12      ILE  98   9.289   1.669   4.196
  755   HD13  ILE  98          HD13      ILE  98  10.689   0.617   4.399
  756    H    HIS  99           H        HIS  99  14.051  -0.225   4.600
  757    HA   HIS  99           HA       HIS  99  16.519   0.293   6.091
  758    HB2  HIS  99           HB2      HIS  99  16.062  -2.384   4.807
  759    HB3  HIS  99           HB3      HIS  99  17.345  -1.920   5.905
  760    HD1  HIS  99           HD1      HIS  99  16.626  -1.636   8.468
  761    HD2  HIS  99           HD2      HIS  99  13.817  -3.429   5.981
  762    HE1  HIS  99           HE1      HIS  99  14.953  -2.716  10.001
  763    HE2  HIS  99           HE2      HIS  99  13.394  -3.968   8.472
  764    H    GLY 100           H        GLY 100  18.416  -0.550   4.413
  765    HA2  GLY 100           HA2      GLY 100  18.382  -0.891   1.854
  766    HA3  GLY 100           HA3      GLY 100  17.697   0.724   1.870
  767    H    ASP 101           H        ASP 101  20.473  -1.044   1.543
  768    HA   ASP 101           HA       ASP 101  22.299   0.975   2.527
  769    HB2  ASP 101           HB2      ASP 101  22.973  -1.399   2.543
  770    HB3  ASP 101           HB3      ASP 101  22.833  -1.447   0.789
  771    H    ASN 102           H        ASN 102  21.282  -0.291  -0.623
  772    HA   ASN 102           HA       ASN 102  22.107   2.273  -1.792
  773    HB2  ASN 102           HB2      ASN 102  23.473   0.482  -2.691
  774    HB3  ASN 102           HB3      ASN 102  22.039  -0.432  -3.135
  775   HD21  ASN 102          HD21      ASN 102  22.612  -0.488  -5.307
  776   HD22  ASN 102          HD22      ASN 102  22.513   0.911  -6.322
  777    HA   PRO 103           HA       PRO 103  17.742   1.552  -3.462
  778    HB2  PRO 103           HB2      PRO 103  16.489  -0.758  -3.404
  779    HB3  PRO 103           HB3      PRO 103  17.863  -0.572  -4.502
  780    HG2  PRO 103           HG2      PRO 103  17.762  -1.855  -1.802
  781    HG3  PRO 103           HG3      PRO 103  18.490  -2.473  -3.300
  782    HD2  PRO 103           HD2      PRO 103  19.896  -1.151  -1.347
  783    HD3  PRO 103           HD3      PRO 103  20.397  -1.238  -3.038
  784    H    LEU 104           H        LEU 104  15.493   1.416  -2.500
  785    HA   LEU 104           HA       LEU 104  15.570   1.608   0.373
  786    HB2  LEU 104           HB2      LEU 104  14.071   3.009  -1.091
  787    HB3  LEU 104           HB3      LEU 104  13.169   1.548  -1.430
  788    HG   LEU 104           HG       LEU 104  12.803   1.376   1.095
  789   HD11  LEU 104          HD11      LEU 104  12.845   3.561   2.266
  790   HD12  LEU 104          HD12      LEU 104  13.724   4.238   0.895
  791   HD13  LEU 104          HD13      LEU 104  14.455   2.960   1.868
  792   HD21  LEU 104          HD21      LEU 104  10.933   2.979   0.997
  793   HD22  LEU 104          HD22      LEU 104  11.034   1.929  -0.414
  794   HD23  LEU 104          HD23      LEU 104  11.588   3.602  -0.519
  795    H    GLU 105           H        GLU 105  14.285   0.337   1.773
  796    HA   GLU 105           HA       GLU 105  13.551  -2.307   0.770
  797    HB2  GLU 105           HB2      GLU 105  15.228  -1.872   3.236
  798    HB3  GLU 105           HB3      GLU 105  14.647  -3.417   2.638
  799    HG2  GLU 105           HG2      GLU 105  15.998  -2.983   0.568
  800    HG3  GLU 105           HG3      GLU 105  16.706  -1.610   1.414
  801    H    VAL 106           H        VAL 106  11.535  -2.432   1.217
  802    HA   VAL 106           HA       VAL 106  10.514  -1.278   3.703
  803    HB   VAL 106           HB       VAL 106   9.150  -0.333   2.157
  804   HG11  VAL 106          HG11      VAL 106   9.545  -2.707   0.346
  805   HG12  VAL 106          HG12      VAL 106  10.415  -1.173   0.255
  806   HG13  VAL 106          HG13      VAL 106   8.680  -1.227  -0.065
  807   HG21  VAL 106          HG21      VAL 106   7.894  -3.061   2.360
  808   HG22  VAL 106          HG22      VAL 106   7.100  -1.652   1.659
  809   HG23  VAL 106          HG23      VAL 106   7.560  -1.648   3.365
  810    H    LYS 107           H        LYS 107  10.124  -2.614   5.319
  811    HA   LYS 107           HA       LYS 107  10.160  -4.499   6.553
  812    HB2  LYS 107           HB2      LYS 107   8.435  -6.292   5.788
  813    HB3  LYS 107           HB3      LYS 107   7.874  -4.721   6.329
  814    HG2  LYS 107           HG2      LYS 107   7.427  -4.020   4.119
  815    HG3  LYS 107           HG3      LYS 107   8.300  -5.385   3.434
  816    HD2  LYS 107           HD2      LYS 107   6.607  -6.908   4.280
  817    HD3  LYS 107           HD3      LYS 107   5.741  -5.554   5.018
  818    HE2  LYS 107           HE2      LYS 107   5.139  -4.655   2.961
  819    HE3  LYS 107           HE3      LYS 107   6.387  -5.552   2.095
  820    HZ1  LYS 107           HZ1      LYS 107   5.138  -7.595   2.577
  821    HZ2  LYS 107           HZ2      LYS 107   4.261  -6.504   1.626
  822    HZ3  LYS 107           HZ3      LYS 107   3.909  -6.666   3.277
  823    H    ASN 108           H        ASN 108   9.327  -6.745   4.127
  824    HA   ASN 108           HA       ASN 108  12.047  -7.849   4.241
  825    HB2  ASN 108           HB2      ASN 108  10.939 -10.033   3.729
  826    HB3  ASN 108           HB3      ASN 108  10.444  -9.332   5.265
  827   HD21  ASN 108          HD21      ASN 108   9.076 -11.283   3.608
  828   HD22  ASN 108          HD22      ASN 108   7.521 -10.594   3.250
  829    H    ALA 109           H        ALA 109  10.441  -5.952   2.341
  830    HA   ALA 109           HA       ALA 109  11.016  -7.360  -0.170
  831    HB1  ALA 109           HB1      ALA 109   9.524  -5.824  -1.248
  832    HB2  ALA 109           HB2      ALA 109   9.415  -4.828   0.201
  833    HB3  ALA 109           HB3      ALA 109   8.711  -6.447   0.189
  834    H    THR 110           H        THR 110  11.919  -5.953  -1.916
  835    HA   THR 110           HA       THR 110  13.745  -3.946  -0.884
  836    HB   THR 110           HB       THR 110  14.497  -5.960  -3.013
  837    HG1  THR 110           HG1      THR 110  14.472  -7.183  -1.202
  838   HG21  THR 110          HG21      THR 110  16.167  -4.026  -1.397
  839   HG22  THR 110          HG22      THR 110  15.704  -3.816  -3.087
  840   HG23  THR 110          HG23      THR 110  16.769  -5.143  -2.622
  841    H    VAL 111           H        VAL 111  13.895  -2.160  -2.168
  842    HA   VAL 111           HA       VAL 111  11.813  -1.985  -4.168
  843    HB   VAL 111           HB       VAL 111  13.522   0.001  -2.752
  844   HG11  VAL 111          HG11      VAL 111  11.865   0.614  -5.196
  845   HG12  VAL 111          HG12      VAL 111  13.625   0.685  -5.102
  846   HG13  VAL 111          HG13      VAL 111  12.646   1.799  -4.150
  847   HG21  VAL 111          HG21      VAL 111  10.561  -0.292  -3.197
  848   HG22  VAL 111          HG22      VAL 111  11.324   0.992  -2.261
  849   HG23  VAL 111          HG23      VAL 111  11.450  -0.683  -1.725
  850    H    LEU 112           H        LEU 112  12.039  -2.104  -6.236
  851    HA   LEU 112           HA       LEU 112  14.661  -2.419  -7.425
  852    HB2  LEU 112           HB2      LEU 112  11.864  -2.768  -8.486
  853    HB3  LEU 112           HB3      LEU 112  13.288  -2.919  -9.494
  854    HG   LEU 112           HG       LEU 112  14.018  -4.747  -7.822
  855   HD11  LEU 112          HD11      LEU 112  11.743  -3.841  -6.557
  856   HD12  LEU 112          HD12      LEU 112  12.643  -5.313  -6.175
  857   HD13  LEU 112          HD13      LEU 112  11.250  -5.385  -7.266
  858   HD21  LEU 112          HD21      LEU 112  13.314  -5.208 -10.119
  859   HD22  LEU 112          HD22      LEU 112  11.625  -5.181  -9.612
  860   HD23  LEU 112          HD23      LEU 112  12.706  -6.436  -9.010
  861    H    ALA 113           H        ALA 113  11.862  -0.324  -7.528
  862    HA   ALA 113           HA       ALA 113  13.441   1.825  -8.660
  863    HB1  ALA 113           HB1      ALA 113  12.631   0.659 -10.659
  864    HB2  ALA 113           HB2      ALA 113  11.902   2.258 -10.506
  865    HB3  ALA 113           HB3      ALA 113  10.974   0.821 -10.080
  866    H    ALA 114           H        ALA 114  12.990   3.486  -7.351
  867    HA   ALA 114           HA       ALA 114  10.197   3.986  -6.644
  868    HB1  ALA 114           HB1      ALA 114  12.522   3.667  -4.805
  869    HB2  ALA 114           HB2      ALA 114  10.888   2.997  -4.663
  870    HB3  ALA 114           HB3      ALA 114  11.177   4.712  -4.358
  871    H    ASP 115           H        ASP 115  10.454   6.194  -5.147
  872    HA   ASP 115           HA       ASP 115  10.604   8.449  -5.295
  873    HB2  ASP 115           HB2      ASP 115  13.037   8.165  -5.391
  874    HB3  ASP 115           HB3      ASP 115  12.955   7.845  -7.117
  875    H    ILE 116           H        ILE 116   9.057   6.716  -6.926
  876    HA   ILE 116           HA       ILE 116   8.775   7.949  -9.516
  877    HB   ILE 116           HB       ILE 116   7.022   5.850  -8.258
  878   HG12  ILE 116          HG12      ILE 116   9.598   5.482  -9.782
  879   HG13  ILE 116          HG13      ILE 116   9.281   5.015  -8.127
  880   HG21  ILE 116          HG21      ILE 116   7.626   6.478 -11.136
  881   HG22  ILE 116          HG22      ILE 116   6.172   6.974 -10.259
  882   HG23  ILE 116          HG23      ILE 116   6.494   5.261 -10.544
  883   HD11  ILE 116          HD11      ILE 116   7.691   3.347  -8.879
  884   HD12  ILE 116          HD12      ILE 116   9.271   3.097  -9.624
  885   HD13  ILE 116          HD13      ILE 116   7.962   3.830 -10.552
  886    H    GLU 117           H        GLU 117   7.717   9.846  -9.503
  887    HA   GLU 117           HA       GLU 117   5.845  10.595  -7.532
  888    HB2  GLU 117           HB2      GLU 117   6.221  11.753 -10.290
  889    HB3  GLU 117           HB3      GLU 117   5.376  12.511  -8.944
  890    HG2  GLU 117           HG2      GLU 117   7.492  12.487  -7.664
  891    HG3  GLU 117           HG3      GLU 117   8.307  11.860  -9.095
  892    H    ALA 118           H        ALA 118   4.035   9.575  -7.251
  893    HA   ALA 118           HA       ALA 118   2.522   8.380  -9.388
  894    HB1  ALA 118           HB1      ALA 118   0.863   7.925  -7.561
  895    HB2  ALA 118           HB2      ALA 118   1.992   8.706  -6.448
  896    HB3  ALA 118           HB3      ALA 118   2.470   7.248  -7.314
  897    H    GLU 119           H        GLU 119   0.024   8.807  -9.198
  898    HA   GLU 119           HA       GLU 119  -0.615  11.179 -10.376
  899    HB2  GLU 119           HB2      GLU 119  -2.965  10.787  -9.395
  900    HB3  GLU 119           HB3      GLU 119  -2.285   9.542 -10.431
  901    HG2  GLU 119           HG2      GLU 119  -1.922   8.085  -8.659
  902    HG3  GLU 119           HG3      GLU 119  -1.982   9.366  -7.463
  903    H    ASN 120           H        ASN 120  -0.815  10.496  -6.900
  904    HA   ASN 120           HA       ASN 120  -0.939  13.380  -6.430
  905    HB2  ASN 120           HB2      ASN 120  -2.372  11.169  -4.978
  906    HB3  ASN 120           HB3      ASN 120  -2.202  12.787  -4.313
  907   HD21  ASN 120          HD21      ASN 120  -4.609  11.351  -5.038
  908   HD22  ASN 120          HD22      ASN 120  -5.414  12.316  -6.225
  909    H    GLY 121           H        GLY 121   0.779  10.500  -5.899
  910    HA2  GLY 121           HA2      GLY 121   2.403  11.876  -3.878
  911    HA3  GLY 121           HA3      GLY 121   1.760  10.300  -3.477
  912    H    ILE 122           H        ILE 122   3.052   8.687  -3.802
  913    HA   ILE 122           HA       ILE 122   5.145   8.771  -5.822
  914    HB   ILE 122           HB       ILE 122   5.575   8.659  -2.856
  915   HG12  ILE 122          HG12      ILE 122   5.514  10.850  -4.060
  916   HG13  ILE 122          HG13      ILE 122   7.002  10.518  -3.180
  917   HG21  ILE 122          HG21      ILE 122   7.471   7.825  -5.021
  918   HG22  ILE 122          HG22      ILE 122   6.916   6.888  -3.629
  919   HG23  ILE 122          HG23      ILE 122   7.986   8.276  -3.396
  920   HD11  ILE 122          HD11      ILE 122   6.986   9.701  -6.007
  921   HD12  ILE 122          HD12      ILE 122   8.261  10.476  -5.049
  922   HD13  ILE 122          HD13      ILE 122   6.931  11.440  -5.700
  923    H    ILE 123           H        ILE 123   5.891   6.803  -6.443
  924    HA   ILE 123           HA       ILE 123   4.640   4.424  -5.215
  925    HB   ILE 123           HB       ILE 123   5.343   4.996  -8.099
  926   HG12  ILE 123          HG12      ILE 123   2.751   3.920  -7.115
  927   HG13  ILE 123          HG13      ILE 123   3.111   5.617  -6.837
  928   HG21  ILE 123          HG21      ILE 123   6.072   2.716  -7.586
  929   HG22  ILE 123          HG22      ILE 123   4.660   2.715  -8.643
  930   HG23  ILE 123          HG23      ILE 123   4.477   2.353  -6.927
  931   HD11  ILE 123          HD11      ILE 123   3.462   5.889  -9.268
  932   HD12  ILE 123          HD12      ILE 123   1.825   5.393  -8.844
  933   HD13  ILE 123          HD13      ILE 123   2.967   4.210  -9.491
  934    H    HIS 124           H        HIS 124   5.906   2.585  -4.933
  935    HA   HIS 124           HA       HIS 124   8.754   2.749  -5.646
  936    HB2  HIS 124           HB2      HIS 124   8.046   1.546  -3.002
  937    HB3  HIS 124           HB3      HIS 124   9.570   2.208  -3.536
  938    HD1  HIS 124           HD1      HIS 124   6.230   3.257  -2.163
  939    HD2  HIS 124           HD2      HIS 124   9.985   4.877  -2.896
  940    HE1  HIS 124           HE1      HIS 124   6.261   5.463  -0.968
  941    HE2  HIS 124           HE2      HIS 124   8.463   6.505  -1.578
  942    H    VAL 125           H        VAL 125   9.160   1.023  -6.853
  943    HA   VAL 125           HA       VAL 125   7.423  -1.277  -6.840
  944    HB   VAL 125           HB       VAL 125   9.995  -0.769  -8.353
  945   HG11  VAL 125          HG11      VAL 125   9.191  -2.571  -9.852
  946   HG12  VAL 125          HG12      VAL 125   7.900  -2.909  -8.698
  947   HG13  VAL 125          HG13      VAL 125   9.586  -3.134  -8.228
  948   HG21  VAL 125          HG21      VAL 125   7.125  -0.481  -9.231
  949   HG22  VAL 125          HG22      VAL 125   8.547  -0.248 -10.247
  950   HG23  VAL 125          HG23      VAL 125   8.242   0.841  -8.891
  951    H    ILE 126           H        ILE 126   7.752  -3.160  -5.788
  952    HA   ILE 126           HA       ILE 126  10.370  -3.572  -4.490
  953    HB   ILE 126           HB       ILE 126   9.318  -4.506  -2.554
  954   HG12  ILE 126          HG12      ILE 126   7.145  -4.946  -4.191
  955   HG13  ILE 126          HG13      ILE 126   7.193  -5.216  -2.455
  956   HG21  ILE 126          HG21      ILE 126   8.159  -1.811  -3.223
  957   HG22  ILE 126          HG22      ILE 126   9.727  -2.140  -2.482
  958   HG23  ILE 126          HG23      ILE 126   8.244  -2.512  -1.602
  959   HD11  ILE 126          HD11      ILE 126   6.247  -3.056  -2.051
  960   HD12  ILE 126          HD12      ILE 126   5.229  -3.946  -3.184
  961   HD13  ILE 126          HD13      ILE 126   6.297  -2.668  -3.771
  962    H    ASP 127           H        ASP 127  10.559  -5.795  -3.682
  963    HA   ASP 127           HA       ASP 127   9.808  -7.582  -5.868
  964    HB2  ASP 127           HB2      ASP 127  12.179  -7.014  -5.680
  965    HB3  ASP 127           HB3      ASP 127  12.211  -7.625  -4.040
  966    H    THR 128           H        THR 128   8.413  -6.949  -3.296
  967    HA   THR 128           HA       THR 128   7.538  -9.599  -2.719
  968    HB   THR 128           HB       THR 128   9.186  -8.150  -0.653
  969    HG1  THR 128           HG1      THR 128   9.821 -10.032  -2.228
  970   HG21  THR 128          HG21      THR 128   8.380  -9.802   1.006
  971   HG22  THR 128          HG22      THR 128   7.165 -10.335  -0.158
  972   HG23  THR 128          HG23      THR 128   7.123  -8.686   0.472
  973    H    VAL 129           H        VAL 129   5.402  -9.439  -2.319
  974    HA   VAL 129           HA       VAL 129   4.137  -6.929  -2.300
  975    HB   VAL 129           HB       VAL 129   3.108  -9.730  -1.850
  976   HG11  VAL 129          HG11      VAL 129   1.470  -7.222  -2.147
  977   HG12  VAL 129          HG12      VAL 129   1.715  -8.096  -0.638
  978   HG13  VAL 129          HG13      VAL 129   0.865  -8.871  -1.974
  979   HG21  VAL 129          HG21      VAL 129   3.881  -9.169  -4.108
  980   HG22  VAL 129          HG22      VAL 129   2.786  -7.787  -4.135
  981   HG23  VAL 129          HG23      VAL 129   2.136  -9.424  -4.066
  Start of MODEL   10
    1    H1   MET   1           H1       MET   1 -18.843  14.065  -8.197
    2    H2   MET   1           H2       MET   1 -18.284  12.553  -7.688
    3    H3   MET   1           H3       MET   1 -17.616  13.962  -7.035
    4    HA   MET   1           HA       MET   1 -19.674  14.528  -5.986
    5    HB2  MET   1           HB2      MET   1 -20.639  11.977  -7.280
    6    HB3  MET   1           HB3      MET   1 -21.486  12.772  -5.963
    7    HG2  MET   1           HG2      MET   1 -20.910  13.962  -8.663
    8    HG3  MET   1           HG3      MET   1 -22.460  13.328  -8.116
    9    HE1  MET   1           HE1      MET   1 -23.941  14.429  -6.253
   10    HE2  MET   1           HE2      MET   1 -23.488  15.869  -5.343
   11    HE3  MET   1           HE3      MET   1 -22.610  14.359  -5.099
   12    H    ALA   2           H        ALA   2 -18.946  11.032  -6.194
   13    HA   ALA   2           HA       ALA   2 -18.309  11.121  -3.317
   14    HB1  ALA   2           HB1      ALA   2 -20.356   9.861  -3.752
   15    HB2  ALA   2           HB2      ALA   2 -19.075   8.784  -3.189
   16    HB3  ALA   2           HB3      ALA   2 -19.495   8.838  -4.902
   17    H    THR   3           H        THR   3 -16.428  10.225  -2.644
   18    HA   THR   3           HA       THR   3 -14.395   9.564  -4.527
   19    HB   THR   3           HB       THR   3 -14.505   9.146  -1.527
   20    HG1  THR   3           HG1      THR   3 -14.361  11.362  -2.948
   21   HG21  THR   3          HG21      THR   3 -12.803   7.734  -2.632
   22   HG22  THR   3          HG22      THR   3 -12.092   8.968  -1.593
   23   HG23  THR   3          HG23      THR   3 -12.093   9.183  -3.346
   24    H    ILE   4           H        ILE   4 -13.476   7.515  -4.963
   25    HA   ILE   4           HA       ILE   4 -15.114   5.448  -5.582
   26    HB   ILE   4           HB       ILE   4 -12.273   5.021  -4.652
   27   HG12  ILE   4          HG12      ILE   4 -12.097   5.150  -7.355
   28   HG13  ILE   4          HG13      ILE   4 -13.366   6.334  -7.066
   29   HG21  ILE   4          HG21      ILE   4 -13.480   2.956  -4.968
   30   HG22  ILE   4          HG22      ILE   4 -12.306   3.160  -6.268
   31   HG23  ILE   4          HG23      ILE   4 -14.014   3.477  -6.565
   32   HD11  ILE   4          HD11      ILE   4 -10.627   6.357  -5.821
   33   HD12  ILE   4          HD12      ILE   4 -11.888   7.559  -5.564
   34   HD13  ILE   4          HD13      ILE   4 -11.165   7.366  -7.160
   35    H    VAL   5           H        VAL   5 -13.243   5.694  -2.604
   36    HA   VAL   5           HA       VAL   5 -14.079   3.247  -1.487
   37    HB   VAL   5           HB       VAL   5 -12.051   4.124  -0.672
   38   HG11  VAL   5          HG11      VAL   5 -11.883   6.323   0.463
   39   HG12  VAL   5          HG12      VAL   5 -13.538   6.655  -0.061
   40   HG13  VAL   5          HG13      VAL   5 -12.258   6.427  -1.258
   41   HG21  VAL   5          HG21      VAL   5 -14.191   4.495   1.369
   42   HG22  VAL   5          HG22      VAL   5 -12.470   4.460   1.748
   43   HG23  VAL   5          HG23      VAL   5 -13.251   3.038   1.052
   44    H    ASP   6           H        ASP   6 -15.286   6.529  -1.231
   45    HA   ASP   6           HA       ASP   6 -16.884   6.260   1.039
   46    HB2  ASP   6           HB2      ASP   6 -16.322   8.401  -0.151
   47    HB3  ASP   6           HB3      ASP   6 -17.518   7.977  -1.359
   48    H    ILE   7           H        ILE   7 -17.562   5.843  -2.354
   49    HA   ILE   7           HA       ILE   7 -20.247   5.207  -2.255
   50    HB   ILE   7           HB       ILE   7 -18.284   3.941  -4.160
   51   HG12  ILE   7          HG12      ILE   7 -19.766   6.484  -4.708
   52   HG13  ILE   7          HG13      ILE   7 -18.277   6.547  -3.770
   53   HG21  ILE   7          HG21      ILE   7 -20.183   3.874  -5.681
   54   HG22  ILE   7          HG22      ILE   7 -21.197   4.685  -4.488
   55   HG23  ILE   7          HG23      ILE   7 -20.609   3.051  -4.176
   56   HD11  ILE   7          HD11      ILE   7 -17.912   6.982  -6.150
   57   HD12  ILE   7          HD12      ILE   7 -18.521   5.368  -6.527
   58   HD13  ILE   7          HD13      ILE   7 -17.042   5.558  -5.578
   59    H    ALA   8           H        ALA   8 -17.543   3.276  -1.213
   60    HA   ALA   8           HA       ALA   8 -18.657   0.711  -1.448
   61    HB1  ALA   8           HB1      ALA   8 -16.737   1.734   0.639
   62    HB2  ALA   8           HB2      ALA   8 -16.310   1.044  -0.927
   63    HB3  ALA   8           HB3      ALA   8 -17.078   0.036   0.300
   64    H    VAL   9           H        VAL   9 -19.089   3.206   1.008
   65    HA   VAL   9           HA       VAL   9 -20.866   1.570   2.594
   66    HB   VAL   9           HB       VAL   9 -20.488   4.571   2.645
   67   HG11  VAL   9          HG11      VAL   9 -21.394   4.426   4.918
   68   HG12  VAL   9          HG12      VAL   9 -21.668   2.699   4.694
   69   HG13  VAL   9          HG13      VAL   9 -22.557   3.866   3.717
   70   HG21  VAL   9          HG21      VAL   9 -19.140   2.420   4.268
   71   HG22  VAL   9          HG22      VAL   9 -18.991   4.154   4.545
   72   HG23  VAL   9          HG23      VAL   9 -18.383   3.446   3.050
   73    H    ASN  10           H        ASN  10 -21.096   3.799  -0.042
   74    HA   ASN  10           HA       ASN  10 -23.891   4.370   0.153
   75    HB2  ASN  10           HB2      ASN  10 -22.239   5.861  -0.965
   76    HB3  ASN  10           HB3      ASN  10 -22.009   4.638  -2.198
   77   HD21  ASN  10          HD21      ASN  10 -22.608   6.004  -3.802
   78   HD22  ASN  10          HD22      ASN  10 -24.234   6.506  -4.039
   79    H    THR  11           H        THR  11 -22.019   1.824  -1.246
   80    HA   THR  11           HA       THR  11 -23.675   1.067  -3.359
   81    HB   THR  11           HB       THR  11 -22.602  -1.227  -3.027
   82    HG1  THR  11           HG1      THR  11 -20.658  -0.015  -1.471
   83   HG21  THR  11          HG21      THR  11 -20.840   1.187  -3.425
   84   HG22  THR  11          HG22      THR  11 -21.817   0.400  -4.666
   85   HG23  THR  11          HG23      THR  11 -20.463  -0.459  -3.932
   86    HA   PRO  12           HA       PRO  12 -26.959  -1.027  -1.205
   87    HB2  PRO  12           HB2      PRO  12 -27.689  -2.387  -3.645
   88    HB3  PRO  12           HB3      PRO  12 -28.484  -1.014  -2.883
   89    HG2  PRO  12           HG2      PRO  12 -27.174  -0.849  -5.266
   90    HG3  PRO  12           HG3      PRO  12 -27.354   0.516  -4.150
   91    HD2  PRO  12           HD2      PRO  12 -25.026  -1.322  -4.534
   92    HD3  PRO  12           HD3      PRO  12 -25.049   0.443  -4.356
   93    H    GLY  13           H        GLY  13 -24.782  -2.268  -0.466
   94    HA2  GLY  13           HA2      GLY  13 -24.015  -4.322   0.251
   95    HA3  GLY  13           HA3      GLY  13 -25.509  -5.018  -0.364
   96    H    PHE  14           H        PHE  14 -22.913  -3.272  -1.992
   97    HA   PHE  14           HA       PHE  14 -22.889  -4.805  -4.318
   98    HB2  PHE  14           HB2      PHE  14 -21.521  -2.579  -3.356
   99    HB3  PHE  14           HB3      PHE  14 -20.256  -3.754  -3.682
  100    HD1  PHE  14           HD1      PHE  14 -23.151  -2.015  -5.218
  101    HD2  PHE  14           HD2      PHE  14 -19.524  -4.144  -5.859
  102    HE1  PHE  14           HE1      PHE  14 -23.241  -1.439  -7.606
  103    HE2  PHE  14           HE2      PHE  14 -19.606  -3.569  -8.249
  104    HZ   PHE  14           HZ       PHE  14 -21.467  -2.218  -9.125
  105    H    SER  15           H        SER  15 -20.452  -5.583  -4.972
  106    HA   SER  15           HA       SER  15 -20.078  -8.140  -3.972
  107    HB2  SER  15           HB2      SER  15 -17.941  -6.391  -5.201
  108    HB3  SER  15           HB3      SER  15 -18.060  -8.150  -5.266
  109    HG   SER  15           HG       SER  15 -20.089  -7.796  -6.424
  110    H    THR  16           H        THR  16 -18.153  -8.961  -2.869
  111    HA   THR  16           HA       THR  16 -18.044  -7.913  -0.276
  112    HB   THR  16           HB       THR  16 -16.028  -9.842  -1.415
  113    HG1  THR  16           HG1      THR  16 -18.596 -10.579  -0.434
  114   HG21  THR  16          HG21      THR  16 -16.167 -10.849   0.816
  115   HG22  THR  16          HG22      THR  16 -17.364  -9.642   1.288
  116   HG23  THR  16          HG23      THR  16 -15.712  -9.149   0.916
  117    H    LEU  17           H        LEU  17 -16.179  -7.223  -3.059
  118    HA   LEU  17           HA       LEU  17 -13.779  -6.353  -1.970
  119    HB2  LEU  17           HB2      LEU  17 -14.278  -6.583  -4.387
  120    HB3  LEU  17           HB3      LEU  17 -15.281  -5.149  -4.295
  121    HG   LEU  17           HG       LEU  17 -13.279  -3.827  -3.656
  122   HD11  LEU  17          HD11      LEU  17 -11.065  -4.804  -3.957
  123   HD12  LEU  17          HD12      LEU  17 -11.794  -6.379  -4.267
  124   HD13  LEU  17          HD13      LEU  17 -11.955  -5.631  -2.679
  125   HD21  LEU  17          HD21      LEU  17 -14.029  -3.929  -5.973
  126   HD22  LEU  17          HD22      LEU  17 -13.040  -5.366  -6.237
  127   HD23  LEU  17          HD23      LEU  17 -12.272  -3.819  -5.876
  128    H    VAL  18           H        VAL  18 -16.952  -4.788  -2.001
  129    HA   VAL  18           HA       VAL  18 -15.821  -2.232  -1.182
  130    HB   VAL  18           HB       VAL  18 -17.977  -1.322  -1.212
  131   HG11  VAL  18          HG11      VAL  18 -17.908  -3.480  -3.298
  132   HG12  VAL  18          HG12      VAL  18 -17.203  -1.867  -3.417
  133   HG13  VAL  18          HG13      VAL  18 -18.954  -2.059  -3.337
  134   HG21  VAL  18          HG21      VAL  18 -19.114  -2.937   0.235
  135   HG22  VAL  18          HG22      VAL  18 -19.144  -4.106  -1.096
  136   HG23  VAL  18          HG23      VAL  18 -20.067  -2.603  -1.224
  137    H    THR  19           H        THR  19 -17.122  -5.068   0.247
  138    HA   THR  19           HA       THR  19 -17.531  -3.827   2.806
  139    HB   THR  19           HB       THR  19 -17.456  -6.788   2.454
  140    HG1  THR  19           HG1      THR  19 -19.329  -6.767   1.357
  141   HG21  THR  19          HG21      THR  19 -19.350  -6.592   4.076
  142   HG22  THR  19          HG22      THR  19 -19.080  -4.845   4.101
  143   HG23  THR  19          HG23      THR  19 -17.826  -5.942   4.681
  144    H    ALA  20           H        ALA  20 -15.033  -5.592   1.181
  145    HA   ALA  20           HA       ALA  20 -13.548  -6.441   3.392
  146    HB1  ALA  20           HB1      ALA  20 -11.729  -6.739   1.873
  147    HB2  ALA  20           HB2      ALA  20 -12.482  -5.656   0.703
  148    HB3  ALA  20           HB3      ALA  20 -13.229  -7.207   1.073
  149    H    VAL  21           H        VAL  21 -13.498  -3.332   1.682
  150    HA   VAL  21           HA       VAL  21 -11.510  -2.237   3.457
  151    HB   VAL  21           HB       VAL  21 -11.554  -1.099   1.420
  152   HG11  VAL  21          HG11      VAL  21 -14.556  -0.852   1.675
  153   HG12  VAL  21          HG12      VAL  21 -13.694  -1.921   0.568
  154   HG13  VAL  21          HG13      VAL  21 -13.576  -0.172   0.376
  155   HG21  VAL  21          HG21      VAL  21 -11.394   0.460   3.239
  156   HG22  VAL  21          HG22      VAL  21 -13.155   0.504   3.402
  157   HG23  VAL  21          HG23      VAL  21 -12.381   1.182   1.963
  158    H    LYS  22           H        LYS  22 -15.034  -2.289   3.334
  159    HA   LYS  22           HA       LYS  22 -15.523  -0.439   5.373
  160    HB2  LYS  22           HB2      LYS  22 -17.061  -2.578   4.031
  161    HB3  LYS  22           HB3      LYS  22 -17.667  -2.073   5.589
  162    HG2  LYS  22           HG2      LYS  22 -17.684   0.240   4.730
  163    HG3  LYS  22           HG3      LYS  22 -17.248  -0.370   3.152
  164    HD2  LYS  22           HD2      LYS  22 -19.706  -1.183   4.668
  165    HD3  LYS  22           HD3      LYS  22 -19.653   0.083   3.446
  166    HE2  LYS  22           HE2      LYS  22 -18.877  -1.565   1.801
  167    HE3  LYS  22           HE3      LYS  22 -19.006  -2.815   3.017
  168    HZ1  LYS  22           HZ1      LYS  22 -21.391  -2.274   3.198
  169    HZ2  LYS  22           HZ2      LYS  22 -20.957  -2.853   1.675
  170    HZ3  LYS  22           HZ3      LYS  22 -21.220  -1.199   1.905
  171    H    VAL  23           H        VAL  23 -14.985  -3.906   5.435
  172    HA   VAL  23           HA       VAL  23 -15.488  -4.193   8.248
  173    HB   VAL  23           HB       VAL  23 -15.803  -6.095   6.742
  174   HG11  VAL  23          HG11      VAL  23 -13.901  -7.239   5.730
  175   HG12  VAL  23          HG12      VAL  23 -12.814  -5.986   6.335
  176   HG13  VAL  23          HG13      VAL  23 -14.043  -5.581   5.129
  177   HG21  VAL  23          HG21      VAL  23 -14.664  -7.772   8.066
  178   HG22  VAL  23          HG22      VAL  23 -15.229  -6.458   9.104
  179   HG23  VAL  23          HG23      VAL  23 -13.527  -6.557   8.655
  180    H    ALA  24           H        ALA  24 -12.707  -3.726   6.205
  181    HA   ALA  24           HA       ALA  24 -10.734  -4.143   8.213
  182    HB1  ALA  24           HB1      ALA  24 -10.452  -2.595   5.669
  183    HB2  ALA  24           HB2      ALA  24 -10.348  -4.350   5.777
  184    HB3  ALA  24           HB3      ALA  24  -9.172  -3.340   6.622
  185    H    ASN  25           H        ASN  25 -12.921  -1.719   7.695
  186    HA   ASN  25           HA       ASN  25 -13.345   0.271   8.552
  187    HB2  ASN  25           HB2      ASN  25 -12.574   0.795  10.636
  188    HB3  ASN  25           HB3      ASN  25 -12.258  -0.923  10.549
  189   HD21  ASN  25          HD21      ASN  25 -10.586   2.192  10.036
  190   HD22  ASN  25          HD22      ASN  25  -9.063   1.635  10.643
  191    H    LEU  26           H        LEU  26 -11.341  -0.146   6.295
  192    HA   LEU  26           HA       LEU  26  -9.921   2.387   6.459
  193    HB2  LEU  26           HB2      LEU  26  -9.681   0.022   4.688
  194    HB3  LEU  26           HB3      LEU  26  -9.165   1.585   4.068
  195    HG   LEU  26           HG       LEU  26  -7.721   1.810   6.131
  196   HD11  LEU  26          HD11      LEU  26  -8.759   0.203   7.551
  197   HD12  LEU  26          HD12      LEU  26  -7.107  -0.320   7.221
  198   HD13  LEU  26          HD13      LEU  26  -8.457  -1.088   6.389
  199   HD21  LEU  26          HD21      LEU  26  -5.963   0.320   5.241
  200   HD22  LEU  26          HD22      LEU  26  -6.741   1.306   4.005
  201   HD23  LEU  26          HD23      LEU  26  -7.164  -0.400   4.165
  202    H    VAL  27           H        VAL  27 -12.935   1.730   5.809
  203    HA   VAL  27           HA       VAL  27 -13.458   2.923   3.334
  204    HB   VAL  27           HB       VAL  27 -14.992   2.097   5.602
  205   HG11  VAL  27          HG11      VAL  27 -16.840   3.692   5.510
  206   HG12  VAL  27          HG12      VAL  27 -15.903   4.716   4.422
  207   HG13  VAL  27          HG13      VAL  27 -15.354   4.458   6.081
  208   HG21  VAL  27          HG21      VAL  27 -15.649   2.691   2.724
  209   HG22  VAL  27          HG22      VAL  27 -16.784   1.954   3.853
  210   HG23  VAL  27          HG23      VAL  27 -15.281   1.117   3.448
  211    H    GLU  28           H        GLU  28 -12.910   4.286   6.502
  212    HA   GLU  28           HA       GLU  28 -13.208   7.001   5.543
  213    HB2  GLU  28           HB2      GLU  28 -12.323   7.480   7.935
  214    HB3  GLU  28           HB3      GLU  28 -13.933   6.808   7.720
  215    HG2  GLU  28           HG2      GLU  28 -13.051   4.573   8.175
  216    HG3  GLU  28           HG3      GLU  28 -11.453   5.269   8.452
  217    H    ALA  29           H        ALA  29 -10.663   4.726   5.742
  218    HA   ALA  29           HA       ALA  29  -8.551   6.619   6.021
  219    HB1  ALA  29           HB1      ALA  29  -7.049   4.756   5.802
  220    HB2  ALA  29           HB2      ALA  29  -8.358   3.732   5.213
  221    HB3  ALA  29           HB3      ALA  29  -8.378   4.314   6.880
  222    H    LEU  30           H        LEU  30  -9.544   4.435   3.393
  223    HA   LEU  30           HA       LEU  30  -7.835   5.297   1.401
  224    HB2  LEU  30           HB2      LEU  30 -10.676   4.507   0.893
  225    HB3  LEU  30           HB3      LEU  30  -9.311   4.336  -0.185
  226    HG   LEU  30           HG       LEU  30  -9.854   2.772   2.320
  227   HD11  LEU  30          HD11      LEU  30  -9.672   1.993  -0.574
  228   HD12  LEU  30          HD12      LEU  30 -11.151   2.128   0.376
  229   HD13  LEU  30          HD13      LEU  30  -9.956   0.891   0.773
  230   HD21  LEU  30          HD21      LEU  30  -7.836   1.488   1.735
  231   HD22  LEU  30          HD22      LEU  30  -7.493   3.146   2.231
  232   HD23  LEU  30          HD23      LEU  30  -7.445   2.710   0.521
  233    H    GLN  31           H        GLN  31 -10.295   7.074   2.829
  234    HA   GLN  31           HA       GLN  31 -11.366   8.524   0.662
  235    HB2  GLN  31           HB2      GLN  31 -11.185   9.302   3.567
  236    HB3  GLN  31           HB3      GLN  31 -12.233  10.042   2.363
  237    HG2  GLN  31           HG2      GLN  31 -12.375   7.118   2.850
  238    HG3  GLN  31           HG3      GLN  31 -13.140   8.234   3.968
  239   HE21  GLN  31          HE21      GLN  31 -14.081   6.211   1.992
  240   HE22  GLN  31          HE22      GLN  31 -15.332   7.052   1.150
  241    H    SER  32           H        SER  32  -8.291   8.681   2.002
  242    HA   SER  32           HA       SER  32  -7.637  11.362   2.111
  243    HB2  SER  32           HB2      SER  32  -5.919   9.112   1.049
  244    HB3  SER  32           HB3      SER  32  -5.335  10.664   1.646
  245    HG   SER  32           HG       SER  32  -6.940   9.495   3.474
  246    HA   PRO  33           HA       PRO  33  -8.319  12.373  -2.214
  247    HB2  PRO  33           HB2      PRO  33  -8.350  15.039  -1.903
  248    HB3  PRO  33           HB3      PRO  33  -9.709  14.022  -1.413
  249    HG2  PRO  33           HG2      PRO  33  -7.580  15.286   0.249
  250    HG3  PRO  33           HG3      PRO  33  -9.299  15.059   0.611
  251    HD2  PRO  33           HD2      PRO  33  -7.247  13.461   1.564
  252    HD3  PRO  33           HD3      PRO  33  -8.951  12.979   1.466
  253    H    GLY  34           H        GLY  34  -5.647  13.275  -0.223
  254    HA2  GLY  34           HA2      GLY  34  -4.339  14.957  -2.131
  255    HA3  GLY  34           HA3      GLY  34  -3.671  14.387  -0.615
  256    HA   PRO  35           HA       PRO  35  -1.115  12.349  -3.695
  257    HB2  PRO  35           HB2      PRO  35   1.047  12.030  -2.104
  258    HB3  PRO  35           HB3      PRO  35   0.647  13.554  -2.899
  259    HG2  PRO  35           HG2      PRO  35   0.329  12.750  -0.070
  260    HG3  PRO  35           HG3      PRO  35   0.649  14.348  -0.754
  261    HD2  PRO  35           HD2      PRO  35  -1.819  13.417   0.155
  262    HD3  PRO  35           HD3      PRO  35  -1.557  14.834  -0.876
  263    H    PHE  36           H        PHE  36   0.077  10.268  -3.822
  264    HA   PHE  36           HA       PHE  36  -0.997   8.256  -1.993
  265    HB2  PHE  36           HB2      PHE  36  -1.339   8.247  -5.001
  266    HB3  PHE  36           HB3      PHE  36  -1.631   6.854  -3.973
  267    HD1  PHE  36           HD1      PHE  36  -3.101   7.850  -1.735
  268    HD2  PHE  36           HD2      PHE  36  -3.327   9.023  -5.817
  269    HE1  PHE  36           HE1      PHE  36  -5.419   8.595  -1.390
  270    HE2  PHE  36           HE2      PHE  36  -5.641   9.777  -5.479
  271    HZ   PHE  36           HZ       PHE  36  -6.689   9.566  -3.264
  272    H    THR  37           H        THR  37   0.600   6.993  -1.365
  273    HA   THR  37           HA       THR  37   2.882   6.600  -3.165
  274    HB   THR  37           HB       THR  37   2.654   6.375  -0.155
  275    HG1  THR  37           HG1      THR  37   3.358   8.357  -0.283
  276   HG21  THR  37          HG21      THR  37   5.098   5.897  -0.222
  277   HG22  THR  37          HG22      THR  37   4.967   5.700  -1.972
  278   HG23  THR  37          HG23      THR  37   4.106   4.601  -0.895
  279    H    VAL  38           H        VAL  38   3.414   4.575  -3.824
  280    HA   VAL  38           HA       VAL  38   1.831   2.356  -2.721
  281    HB   VAL  38           HB       VAL  38   1.075   3.250  -5.029
  282   HG11  VAL  38          HG11      VAL  38   3.458   1.660  -5.933
  283   HG12  VAL  38          HG12      VAL  38   3.352   3.417  -5.945
  284   HG13  VAL  38          HG13      VAL  38   2.262   2.462  -6.951
  285   HG21  VAL  38          HG21      VAL  38   0.531   1.003  -5.810
  286   HG22  VAL  38          HG22      VAL  38   0.304   1.139  -4.065
  287   HG23  VAL  38          HG23      VAL  38   1.729   0.323  -4.709
  288    H    PHE  39           H        PHE  39   2.823   0.327  -2.770
  289    HA   PHE  39           HA       PHE  39   5.693   0.323  -3.399
  290    HB2  PHE  39           HB2      PHE  39   4.146  -1.522  -1.555
  291    HB3  PHE  39           HB3      PHE  39   5.867  -1.632  -1.898
  292    HD1  PHE  39           HD1      PHE  39   7.344   0.327  -1.257
  293    HD2  PHE  39           HD2      PHE  39   3.358  -0.143   0.158
  294    HE1  PHE  39           HE1      PHE  39   7.823   1.878   0.593
  295    HE2  PHE  39           HE2      PHE  39   3.829   1.406   2.011
  296    HZ   PHE  39           HZ       PHE  39   6.064   2.420   2.228
  297    H    ALA  40           H        ALA  40   6.034  -0.497  -5.336
  298    HA   ALA  40           HA       ALA  40   3.958  -2.165  -6.542
  299    HB1  ALA  40           HB1      ALA  40   4.942  -1.553  -8.669
  300    HB2  ALA  40           HB2      ALA  40   6.276  -0.745  -7.845
  301    HB3  ALA  40           HB3      ALA  40   4.637  -0.106  -7.709
  302    HA   PRO  41           HA       PRO  41   6.877  -5.502  -5.920
  303    HB2  PRO  41           HB2      PRO  41   5.130  -7.502  -6.357
  304    HB3  PRO  41           HB3      PRO  41   5.136  -6.579  -4.845
  305    HG2  PRO  41           HG2      PRO  41   3.324  -6.343  -7.215
  306    HG3  PRO  41           HG3      PRO  41   2.932  -6.250  -5.489
  307    HD2  PRO  41           HD2      PRO  41   3.252  -4.065  -7.128
  308    HD3  PRO  41           HD3      PRO  41   3.474  -4.037  -5.368
  309    H    ASN  42           H        ASN  42   8.274  -6.228  -7.447
  310    HA   ASN  42           HA       ASN  42   7.618  -5.990 -10.229
  311    HB2  ASN  42           HB2      ASN  42   9.828  -6.530 -10.714
  312    HB3  ASN  42           HB3      ASN  42   9.978  -5.867  -9.119
  313   HD21  ASN  42          HD21      ASN  42  10.622  -7.077  -7.487
  314   HD22  ASN  42          HD22      ASN  42  11.255  -8.678  -7.688
  315    H    ASP  43           H        ASP  43   8.497  -8.161 -11.527
  316    HA   ASP  43           HA       ASP  43   6.242  -9.797 -11.463
  317    HB2  ASP  43           HB2      ASP  43   8.966 -10.321 -12.642
  318    HB3  ASP  43           HB3      ASP  43   7.589 -11.395 -12.858
  319    H    ASP  44           H        ASP  44   9.171 -10.037  -9.559
  320    HA   ASP  44           HA       ASP  44   8.660 -12.843  -8.927
  321    HB2  ASP  44           HB2      ASP  44  10.976 -11.984  -9.259
  322    HB3  ASP  44           HB3      ASP  44  10.765 -11.006  -7.818
  323    H    ALA  45           H        ALA  45   8.125  -9.707  -7.726
  324    HA   ALA  45           HA       ALA  45   7.462 -10.578  -5.048
  325    HB1  ALA  45           HB1      ALA  45   8.525  -8.427  -5.366
  326    HB2  ALA  45           HB2      ALA  45   6.915  -8.236  -4.669
  327    HB3  ALA  45           HB3      ALA  45   7.184  -7.901  -6.383
  328    H    PHE  46           H        PHE  46   5.925  -9.635  -8.041
  329    HA   PHE  46           HA       PHE  46   3.232  -9.721  -7.203
  330    HB2  PHE  46           HB2      PHE  46   4.255  -8.891  -9.419
  331    HB3  PHE  46           HB3      PHE  46   4.263 -10.575  -9.913
  332    HD1  PHE  46           HD1      PHE  46   2.132 -11.770 -10.267
  333    HD2  PHE  46           HD2      PHE  46   2.252  -7.615  -9.353
  334    HE1  PHE  46           HE1      PHE  46  -0.191 -11.536 -11.040
  335    HE2  PHE  46           HE2      PHE  46  -0.072  -7.376 -10.121
  336    HZ   PHE  46           HZ       PHE  46  -1.296  -9.336 -10.965
  337    H    ALA  47           H        ALA  47   5.637 -12.030  -7.642
  338    HA   ALA  47           HA       ALA  47   3.961 -14.346  -7.995
  339    HB1  ALA  47           HB1      ALA  47   6.120 -15.558  -7.775
  340    HB2  ALA  47           HB2      ALA  47   6.913 -14.001  -7.505
  341    HB3  ALA  47           HB3      ALA  47   6.112 -14.332  -9.040
  342    H    LYS  48           H        LYS  48   4.878 -12.402  -5.424
  343    HA   LYS  48           HA       LYS  48   4.756 -14.476  -3.368
  344    HB2  LYS  48           HB2      LYS  48   4.790 -11.513  -2.889
  345    HB3  LYS  48           HB3      LYS  48   5.358 -12.809  -1.847
  346    HG2  LYS  48           HG2      LYS  48   6.625 -12.043  -4.452
  347    HG3  LYS  48           HG3      LYS  48   7.174 -11.483  -2.872
  348    HD2  LYS  48           HD2      LYS  48   6.994 -14.359  -3.752
  349    HD3  LYS  48           HD3      LYS  48   8.474 -13.390  -3.734
  350    HE2  LYS  48           HE2      LYS  48   8.142 -13.056  -1.286
  351    HE3  LYS  48           HE3      LYS  48   6.784 -14.177  -1.364
  352    HZ1  LYS  48           HZ1      LYS  48   8.308 -15.888  -2.159
  353    HZ2  LYS  48           HZ2      LYS  48   8.779 -15.301  -0.646
  354    HZ3  LYS  48           HZ3      LYS  48   9.605 -14.809  -2.037
  355    H    LEU  49           H        LEU  49   2.867 -12.098  -4.923
  356    HA   LEU  49           HA       LEU  49   0.824 -11.560  -3.177
  357    HB2  LEU  49           HB2      LEU  49   0.869 -11.796  -6.161
  358    HB3  LEU  49           HB3      LEU  49  -0.516 -11.193  -5.280
  359    HG   LEU  49           HG       LEU  49   2.249  -9.996  -5.326
  360   HD11  LEU  49          HD11      LEU  49  -0.370  -8.923  -6.323
  361   HD12  LEU  49          HD12      LEU  49   0.918  -9.581  -7.331
  362   HD13  LEU  49          HD13      LEU  49   1.194  -8.114  -6.391
  363   HD21  LEU  49          HD21      LEU  49   1.376  -9.732  -3.131
  364   HD22  LEU  49          HD22      LEU  49  -0.192  -9.219  -3.755
  365   HD23  LEU  49          HD23      LEU  49   1.222  -8.187  -3.970
  366    HA   PRO  50           HA       PRO  50  -1.838 -15.123  -5.180
  367    HB2  PRO  50           HB2      PRO  50  -0.371 -17.377  -5.829
  368    HB3  PRO  50           HB3      PRO  50  -0.946 -16.168  -6.979
  369    HG2  PRO  50           HG2      PRO  50   1.749 -16.482  -5.746
  370    HG3  PRO  50           HG3      PRO  50   1.315 -15.990  -7.393
  371    HD2  PRO  50           HD2      PRO  50   2.116 -14.214  -5.532
  372    HD3  PRO  50           HD3      PRO  50   0.891 -13.798  -6.759
  373    H    ASP  51           H        ASP  51  -2.427 -15.166  -3.028
  374    HA   ASP  51           HA       ASP  51  -2.790 -16.015  -0.967
  375    HB2  ASP  51           HB2      ASP  51  -2.108 -18.547  -2.464
  376    HB3  ASP  51           HB3      ASP  51  -2.731 -18.535  -0.816
  377    H    GLY  52           H        GLY  52  -0.472 -14.773  -0.975
  378    HA2  GLY  52           HA2      GLY  52   1.217 -16.504   0.712
  379    HA3  GLY  52           HA3      GLY  52   1.927 -15.438  -0.491
  380    H    THR  53           H        THR  53   2.284 -13.371  -0.016
  381    HA   THR  53           HA       THR  53   2.561 -12.573   2.626
  382    HB   THR  53           HB       THR  53   2.315 -10.796   0.206
  383    HG1  THR  53           HG1      THR  53   4.806 -10.966   0.719
  384   HG21  THR  53          HG21      THR  53   3.805  -9.297   1.594
  385   HG22  THR  53          HG22      THR  53   3.422 -10.335   2.967
  386   HG23  THR  53          HG23      THR  53   2.137  -9.446   2.147
  387    H    ILE  54           H        ILE  54   0.201 -11.342   0.247
  388    HA   ILE  54           HA       ILE  54  -1.079  -9.628   2.042
  389    HB   ILE  54           HB       ILE  54  -1.625 -10.593  -0.673
  390   HG12  ILE  54          HG12      ILE  54  -2.137  -8.113  -0.914
  391   HG13  ILE  54          HG13      ILE  54  -1.683  -7.943   0.784
  392   HG21  ILE  54          HG21      ILE  54  -3.882  -9.550   1.027
  393   HG22  ILE  54          HG22      ILE  54  -3.785 -11.122   0.234
  394   HG23  ILE  54          HG23      ILE  54  -3.909  -9.653  -0.733
  395   HD11  ILE  54          HD11      ILE  54   0.146  -7.362  -0.675
  396   HD12  ILE  54          HD12      ILE  54   0.083  -8.957  -1.424
  397   HD13  ILE  54          HD13      ILE  54   0.533  -8.796   0.276
  398    H    THR  55           H        THR  55  -1.414 -13.003   1.518
  399    HA   THR  55           HA       THR  55  -3.937 -13.401   2.687
  400    HB   THR  55           HB       THR  55  -1.578 -15.241   2.546
  401    HG1  THR  55           HG1      THR  55  -3.916 -15.358   0.962
  402   HG21  THR  55          HG21      THR  55  -3.270 -15.808   4.316
  403   HG22  THR  55          HG22      THR  55  -3.088 -17.039   3.060
  404   HG23  THR  55          HG23      THR  55  -4.472 -15.944   3.032
  405    H    SER  56           H        SER  56  -0.702 -13.217   4.072
  406    HA   SER  56           HA       SER  56  -1.627 -13.807   6.718
  407    HB2  SER  56           HB2      SER  56   0.654 -14.421   6.044
  408    HB3  SER  56           HB3      SER  56   1.025 -12.726   5.734
  409    HG   SER  56           HG       SER  56   1.773 -13.455   7.784
  410    H    LEU  57           H        LEU  57  -1.114 -11.120   4.713
  411    HA   LEU  57           HA       LEU  57  -1.134  -9.078   6.685
  412    HB2  LEU  57           HB2      LEU  57  -1.235  -9.236   3.780
  413    HB3  LEU  57           HB3      LEU  57  -1.888  -7.780   4.481
  414    HG   LEU  57           HG       LEU  57   0.235  -7.300   5.539
  415   HD11  LEU  57          HD11      LEU  57   2.218  -8.670   5.133
  416   HD12  LEU  57          HD12      LEU  57   1.220  -9.860   4.298
  417   HD13  LEU  57          HD13      LEU  57   0.979  -9.561   6.019
  418   HD21  LEU  57          HD21      LEU  57   1.639  -7.041   3.481
  419   HD22  LEU  57          HD22      LEU  57  -0.007  -6.429   3.333
  420   HD23  LEU  57          HD23      LEU  57   0.424  -7.978   2.609
  421    H    VAL  58           H        VAL  58  -3.619 -10.809   4.905
  422    HA   VAL  58           HA       VAL  58  -5.703  -8.966   5.646
  423    HB   VAL  58           HB       VAL  58  -5.842 -10.490   3.643
  424   HG11  VAL  58          HG11      VAL  58  -6.203 -12.548   5.817
  425   HG12  VAL  58          HG12      VAL  58  -5.039 -12.552   4.479
  426   HG13  VAL  58          HG13      VAL  58  -6.761 -12.793   4.154
  427   HG21  VAL  58          HG21      VAL  58  -7.782  -9.313   4.733
  428   HG22  VAL  58          HG22      VAL  58  -8.146 -10.836   5.549
  429   HG23  VAL  58          HG23      VAL  58  -8.197 -10.745   3.789
  430    H    GLN  59           H        GLN  59  -4.203 -11.792   6.998
  431    HA   GLN  59           HA       GLN  59  -6.177 -12.328   8.961
  432    HB2  GLN  59           HB2      GLN  59  -3.229 -12.901   9.188
  433    HB3  GLN  59           HB3      GLN  59  -4.559 -13.808   9.890
  434    HG2  GLN  59           HG2      GLN  59  -4.448 -13.540   6.955
  435    HG3  GLN  59           HG3      GLN  59  -3.303 -14.617   7.719
  436   HE21  GLN  59          HE21      GLN  59  -5.389 -15.253   5.897
  437   HE22  GLN  59          HE22      GLN  59  -6.475 -16.335   6.699
  438    H    ASN  60           H        ASN  60  -3.551 -10.235   8.577
  439    HA   ASN  60           HA       ASN  60  -3.162  -9.435  11.268
  440    HB2  ASN  60           HB2      ASN  60  -1.967  -8.985   8.640
  441    HB3  ASN  60           HB3      ASN  60  -1.940  -7.576   9.669
  442   HD21  ASN  60          HD21      ASN  60  -0.779 -10.768   9.165
  443   HD22  ASN  60          HD22      ASN  60   0.443 -10.746  10.392
  444    HA   PRO  61           HA       PRO  61  -5.689  -5.781  11.951
  445    HB2  PRO  61           HB2      PRO  61  -3.096  -4.315  11.550
  446    HB3  PRO  61           HB3      PRO  61  -4.346  -4.055  12.769
  447    HG2  PRO  61           HG2      PRO  61  -2.162  -5.399  13.398
  448    HG3  PRO  61           HG3      PRO  61  -3.746  -5.942  13.980
  449    HD2  PRO  61           HD2      PRO  61  -2.011  -7.095  11.869
  450    HD3  PRO  61           HD3      PRO  61  -3.170  -7.897  12.945
  451    HA   PRO  62           HA       PRO  62  -7.625  -3.707   8.739
  452    HB2  PRO  62           HB2      PRO  62  -6.029  -1.266   9.278
  453    HB3  PRO  62           HB3      PRO  62  -7.755  -1.421   8.935
  454    HG2  PRO  62           HG2      PRO  62  -6.869  -1.183  11.438
  455    HG3  PRO  62           HG3      PRO  62  -8.238  -2.230  11.034
  456    HD2  PRO  62           HD2      PRO  62  -5.529  -2.947  11.887
  457    HD3  PRO  62           HD3      PRO  62  -7.009  -3.917  11.919
  458    H    GLN  63           H        GLN  63  -4.227  -3.792   8.267
  459    HA   GLN  63           HA       GLN  63  -3.623  -2.452   5.999
  460    HB2  GLN  63           HB2      GLN  63  -1.804  -3.601   6.597
  461    HB3  GLN  63           HB3      GLN  63  -2.742  -4.926   7.257
  462    HG2  GLN  63           HG2      GLN  63  -1.875  -6.079   5.595
  463    HG3  GLN  63           HG3      GLN  63  -3.080  -5.249   4.612
  464   HE21  GLN  63          HE21      GLN  63  -1.974  -5.267   2.855
  465   HE22  GLN  63          HE22      GLN  63  -0.527  -4.393   2.548
  466    H    LEU  64           H        LEU  64  -5.837  -5.137   6.124
  467    HA   LEU  64           HA       LEU  64  -5.879  -6.036   3.521
  468    HB2  LEU  64           HB2      LEU  64  -7.220  -7.205   5.010
  469    HB3  LEU  64           HB3      LEU  64  -7.967  -5.749   5.634
  470    HG   LEU  64           HG       LEU  64  -9.037  -5.508   3.350
  471   HD11  LEU  64          HD11      LEU  64  -8.223  -8.399   3.151
  472   HD12  LEU  64          HD12      LEU  64  -7.650  -7.080   2.135
  473   HD13  LEU  64          HD13      LEU  64  -9.342  -7.569   2.073
  474   HD21  LEU  64          HD21      LEU  64 -10.177  -6.232   5.456
  475   HD22  LEU  64          HD22      LEU  64  -9.912  -7.905   4.939
  476   HD23  LEU  64          HD23      LEU  64 -10.905  -6.823   3.955
  477    H    GLY  65           H        GLY  65  -7.686  -3.335   4.910
  478    HA2  GLY  65           HA2      GLY  65  -9.311  -2.695   2.766
  479    HA3  GLY  65           HA3      GLY  65  -8.754  -1.536   3.950
  480    H    ARG  66           H        ARG  66  -5.964  -1.931   3.213
  481    HA   ARG  66           HA       ARG  66  -5.798   0.034   1.145
  482    HB2  ARG  66           HB2      ARG  66  -4.153   0.354   2.681
  483    HB3  ARG  66           HB3      ARG  66  -3.988  -1.361   3.017
  484    HG2  ARG  66           HG2      ARG  66  -3.108  -0.616   0.346
  485    HG3  ARG  66           HG3      ARG  66  -2.227   0.169   1.642
  486    HD2  ARG  66           HD2      ARG  66  -2.048  -2.147   2.694
  487    HD3  ARG  66           HD3      ARG  66  -2.532  -2.745   1.106
  488    HE   ARG  66           HE       ARG  66  -0.518  -1.849   0.192
  489   HH11  ARG  66          HH11      ARG  66  -0.701  -1.636   3.680
  490   HH12  ARG  66          HH12      ARG  66   1.004  -1.448   3.892
  491   HH21  ARG  66          HH21      ARG  66   1.752  -1.600   0.476
  492   HH22  ARG  66          HH22      ARG  66   2.399  -1.441   2.075
  493    H    ILE  67           H        ILE  67  -4.707  -3.279   1.492
  494    HA   ILE  67           HA       ILE  67  -3.762  -3.964  -0.942
  495    HB   ILE  67           HB       ILE  67  -5.727  -5.596   0.658
  496   HG12  ILE  67          HG12      ILE  67  -2.715  -5.468   0.845
  497   HG13  ILE  67          HG13      ILE  67  -3.829  -4.728   1.985
  498   HG21  ILE  67          HG21      ILE  67  -3.614  -6.452  -1.309
  499   HG22  ILE  67          HG22      ILE  67  -5.357  -6.507  -1.561
  500   HG23  ILE  67          HG23      ILE  67  -4.611  -7.532  -0.334
  501   HD11  ILE  67          HD11      ILE  67  -4.723  -6.964   2.499
  502   HD12  ILE  67          HD12      ILE  67  -3.017  -6.782   2.894
  503   HD13  ILE  67          HD13      ILE  67  -3.500  -7.661   1.444
  504    H    LEU  68           H        LEU  68  -7.225  -3.766  -0.120
  505    HA   LEU  68           HA       LEU  68  -8.261  -5.266  -2.147
  506    HB2  LEU  68           HB2      LEU  68  -9.353  -2.976  -0.606
  507    HB3  LEU  68           HB3      LEU  68 -10.278  -3.587  -1.958
  508    HG   LEU  68           HG       LEU  68 -11.206  -4.978  -0.499
  509   HD11  LEU  68          HD11      LEU  68  -9.749  -6.545  -1.633
  510   HD12  LEU  68          HD12      LEU  68 -10.011  -7.025   0.042
  511   HD13  LEU  68          HD13      LEU  68  -8.492  -6.263  -0.429
  512   HD21  LEU  68          HD21      LEU  68 -10.404  -3.588   1.345
  513   HD22  LEU  68          HD22      LEU  68  -8.912  -4.526   1.397
  514   HD23  LEU  68          HD23      LEU  68 -10.458  -5.298   1.789
  515    H    LYS  69           H        LYS  69  -8.146  -1.653  -2.387
  516    HA   LYS  69           HA       LYS  69  -9.040  -2.041  -5.126
  517    HB2  LYS  69           HB2      LYS  69  -8.970   0.268  -3.252
  518    HB3  LYS  69           HB3      LYS  69  -9.016   0.598  -4.976
  519    HG2  LYS  69           HG2      LYS  69 -11.012  -1.157  -3.565
  520    HG3  LYS  69           HG3      LYS  69 -11.240   0.572  -3.842
  521    HD2  LYS  69           HD2      LYS  69 -10.963   0.165  -6.276
  522    HD3  LYS  69           HD3      LYS  69 -10.879  -1.564  -5.942
  523    HE2  LYS  69           HE2      LYS  69 -13.127  -1.512  -5.012
  524    HE3  LYS  69           HE3      LYS  69 -13.210   0.230  -5.273
  525    HZ1  LYS  69           HZ1      LYS  69 -13.030  -0.153  -7.651
  526    HZ2  LYS  69           HZ2      LYS  69 -14.355  -0.985  -7.016
  527    HZ3  LYS  69           HZ3      LYS  69 -12.939  -1.825  -7.405
  528    H    TYR  70           H        TYR  70  -6.636   0.301  -3.840
  529    HA   TYR  70           HA       TYR  70  -5.070  -0.359  -6.161
  530    HB2  TYR  70           HB2      TYR  70  -4.667   2.015  -6.484
  531    HB3  TYR  70           HB3      TYR  70  -6.356   1.555  -6.470
  532    HD1  TYR  70           HD1      TYR  70  -7.351   1.732  -3.860
  533    HD2  TYR  70           HD2      TYR  70  -4.389   4.163  -5.712
  534    HE1  TYR  70           HE1      TYR  70  -7.992   3.602  -2.408
  535    HE2  TYR  70           HE2      TYR  70  -5.014   6.040  -4.250
  536    HH   TYR  70           HH       TYR  70  -7.061   6.766  -2.957
  537    H    HIS  71           H        HIS  71  -4.786  -0.945  -3.083
  538    HA   HIS  71           HA       HIS  71  -2.955  -1.714  -1.941
  539    HB2  HIS  71           HB2      HIS  71  -2.511  -2.639  -4.233
  540    HB3  HIS  71           HB3      HIS  71  -1.532  -1.228  -4.575
  541    HD1  HIS  71           HD1      HIS  71  -1.508  -4.461  -2.687
  542    HD2  HIS  71           HD2      HIS  71   1.055  -1.310  -3.555
  543    HE1  HIS  71           HE1      HIS  71   0.781  -5.253  -2.028
  544    HE2  HIS  71           HE2      HIS  71   2.327  -3.443  -2.851
  545    H    VAL  72           H        VAL  72  -3.559   1.070  -1.741
  546    HA   VAL  72           HA       VAL  72  -1.011   2.472  -2.136
  547    HB   VAL  72           HB       VAL  72  -3.178   3.151  -3.306
  548   HG11  VAL  72          HG11      VAL  72  -4.672   2.930  -1.425
  549   HG12  VAL  72          HG12      VAL  72  -4.667   4.604  -1.984
  550   HG13  VAL  72          HG13      VAL  72  -3.776   4.156  -0.529
  551   HG21  VAL  72          HG21      VAL  72  -1.654   5.187  -1.686
  552   HG22  VAL  72          HG22      VAL  72  -2.706   5.555  -3.050
  553   HG23  VAL  72          HG23      VAL  72  -1.244   4.600  -3.298
  554    H    VAL  73           H        VAL  73  -0.295   3.993  -0.693
  555    HA   VAL  73           HA       VAL  73  -1.787   4.377   1.796
  556    HB   VAL  73           HB       VAL  73   0.059   3.126   2.586
  557   HG11  VAL  73          HG11      VAL  73   2.004   4.892   1.129
  558   HG12  VAL  73          HG12      VAL  73   1.375   3.399   0.422
  559   HG13  VAL  73          HG13      VAL  73   2.307   3.343   1.922
  560   HG21  VAL  73          HG21      VAL  73  -0.412   5.194   3.818
  561   HG22  VAL  73          HG22      VAL  73   0.836   6.015   2.866
  562   HG23  VAL  73          HG23      VAL  73   1.274   4.688   3.945
  563    H    ALA  74           H        ALA  74  -2.414   6.418   1.930
  564    HA   ALA  74           HA       ALA  74  -1.659   8.406   0.057
  565    HB1  ALA  74           HB1      ALA  74  -3.814   8.480   1.078
  566    HB2  ALA  74           HB2      ALA  74  -2.931   9.921   1.590
  567    HB3  ALA  74           HB3      ALA  74  -3.106   8.547   2.693
  568    H    GLY  75           H        GLY  75  -0.469  10.221   0.246
  569    HA2  GLY  75           HA2      GLY  75   0.885  11.743   1.561
  570    HA3  GLY  75           HA3      GLY  75   1.324  10.378   2.579
  571    H    ALA  76           H        ALA  76   1.966  12.083  -0.318
  572    HA   ALA  76           HA       ALA  76   3.649  10.335  -1.670
  573    HB1  ALA  76           HB1      ALA  76   3.808  13.342  -1.528
  574    HB2  ALA  76           HB2      ALA  76   2.827  12.409  -2.655
  575    HB3  ALA  76           HB3      ALA  76   4.586  12.323  -2.738
  576    H    TYR  77           H        TYR  77   5.189   9.286  -0.662
  577    HA   TYR  77           HA       TYR  77   7.184  10.858   0.871
  578    HB2  TYR  77           HB2      TYR  77   7.075   7.868   1.052
  579    HB3  TYR  77           HB3      TYR  77   7.704   9.035   2.200
  580    HD1  TYR  77           HD1      TYR  77   5.769  10.639   3.217
  581    HD2  TYR  77           HD2      TYR  77   5.196   6.734   1.628
  582    HE1  TYR  77           HE1      TYR  77   3.738  10.382   4.585
  583    HE2  TYR  77           HE2      TYR  77   3.159   6.466   2.972
  584    HH   TYR  77           HH       TYR  77   1.584   8.975   4.449
  585    H    LYS  78           H        LYS  78   9.040  11.204  -0.282
  586    HA   LYS  78           HA       LYS  78   9.812   9.354  -2.341
  587    HB2  LYS  78           HB2      LYS  78  11.026  11.840  -1.235
  588    HB3  LYS  78           HB3      LYS  78  12.047  10.716  -2.121
  589    HG2  LYS  78           HG2      LYS  78  11.324  11.770  -3.956
  590    HG3  LYS  78           HG3      LYS  78   9.860  10.859  -3.701
  591    HD2  LYS  78           HD2      LYS  78   9.337  12.890  -2.082
  592    HD3  LYS  78           HD3      LYS  78  10.380  13.714  -3.252
  593    HE2  LYS  78           HE2      LYS  78   9.012  12.850  -5.078
  594    HE3  LYS  78           HE3      LYS  78   7.993  12.011  -3.900
  595    HZ1  LYS  78           HZ1      LYS  78   8.327  14.967  -4.118
  596    HZ2  LYS  78           HZ2      LYS  78   7.339  14.171  -3.003
  597    HZ3  LYS  78           HZ3      LYS  78   6.989  14.088  -4.651
  598    H    ALA  79           H        ALA  79  11.972   8.225  -2.170
  599    HA   ALA  79           HA       ALA  79  11.741   6.320  -0.214
  600    HB1  ALA  79           HB1      ALA  79  14.290   7.129  -1.598
  601    HB2  ALA  79           HB2      ALA  79  13.079   6.015  -2.231
  602    HB3  ALA  79           HB3      ALA  79  13.992   5.594  -0.779
  603    H    THR  80           H        THR  80  13.390   9.387  -0.040
  604    HA   THR  80           HA       THR  80  15.140   8.580   2.138
  605    HB   THR  80           HB       THR  80  15.949  10.203   0.520
  606    HG1  THR  80           HG1      THR  80  16.144  10.470   3.083
  607   HG21  THR  80          HG21      THR  80  13.832  11.239  -0.111
  608   HG22  THR  80          HG22      THR  80  15.013  12.462   0.357
  609   HG23  THR  80          HG23      THR  80  13.724  12.007   1.472
  610    H    ASP  81           H        ASP  81  11.981  10.063   1.873
  611    HA   ASP  81           HA       ASP  81  11.898  11.145   4.508
  612    HB2  ASP  81           HB2      ASP  81  10.249  11.734   2.720
  613    HB3  ASP  81           HB3      ASP  81   9.594  10.102   2.830
  614    H    LEU  82           H        LEU  82  10.876   8.124   3.028
  615    HA   LEU  82           HA       LEU  82   9.984   6.765   5.244
  616    HB2  LEU  82           HB2      LEU  82  11.369   5.785   2.761
  617    HB3  LEU  82           HB3      LEU  82  10.584   4.722   3.907
  618    HG   LEU  82           HG       LEU  82   8.756   4.962   2.650
  619   HD11  LEU  82          HD11      LEU  82   8.709   7.813   3.558
  620   HD12  LEU  82          HD12      LEU  82   8.193   6.442   4.535
  621   HD13  LEU  82          HD13      LEU  82   7.333   6.834   3.046
  622   HD21  LEU  82          HD21      LEU  82   8.525   6.542   0.839
  623   HD22  LEU  82          HD22      LEU  82  10.101   5.754   0.802
  624   HD23  LEU  82          HD23      LEU  82   9.956   7.405   1.405
  625    H    LYS  83           H        LYS  83  13.321   6.652   3.930
  626    HA   LYS  83           HA       LYS  83  14.302   5.012   5.912
  627    HB2  LYS  83           HB2      LYS  83  16.248   6.748   4.610
  628    HB3  LYS  83           HB3      LYS  83  16.065   5.012   4.653
  629    HG2  LYS  83           HG2      LYS  83  14.356   5.177   2.982
  630    HG3  LYS  83           HG3      LYS  83  14.795   6.878   2.807
  631    HD2  LYS  83           HD2      LYS  83  16.645   4.531   2.385
  632    HD3  LYS  83           HD3      LYS  83  15.921   5.510   1.113
  633    HE2  LYS  83           HE2      LYS  83  18.000   6.463   1.257
  634    HE3  LYS  83           HE3      LYS  83  17.101   7.479   2.379
  635    HZ1  LYS  83           HZ1      LYS  83  19.207   6.827   3.328
  636    HZ2  LYS  83           HZ2      LYS  83  18.851   5.191   3.107
  637    HZ3  LYS  83           HZ3      LYS  83  17.956   6.106   4.205
  638    H    ARG  84           H        ARG  84  14.256   8.563   5.613
  639    HA   ARG  84           HA       ARG  84  15.798   9.284   7.759
  640    HB2  ARG  84           HB2      ARG  84  13.989  10.529   6.137
  641    HB3  ARG  84           HB3      ARG  84  13.223  10.632   7.712
  642    HG2  ARG  84           HG2      ARG  84  14.871  11.926   8.607
  643    HG3  ARG  84           HG3      ARG  84  16.093  11.283   7.503
  644    HD2  ARG  84           HD2      ARG  84  15.173  12.505   5.693
  645    HD3  ARG  84           HD3      ARG  84  13.847  13.101   6.690
  646    HE   ARG  84           HE       ARG  84  16.534  13.766   7.584
  647   HH11  ARG  84          HH11      ARG  84  13.691  14.787   5.822
  648   HH12  ARG  84          HH12      ARG  84  14.062  16.475   5.941
  649   HH21  ARG  84          HH21      ARG  84  17.029  15.997   7.742
  650   HH22  ARG  84          HH22      ARG  84  15.964  17.164   7.023
  651    H    MET  85           H        MET  85  12.474   8.241   7.643
  652    HA   MET  85           HA       MET  85  12.134   8.076  10.477
  653    HB2  MET  85           HB2      MET  85  10.536   6.844   8.236
  654    HB3  MET  85           HB3      MET  85  10.057   6.856   9.922
  655    HG2  MET  85           HG2      MET  85   9.993   9.289   9.873
  656    HG3  MET  85           HG3      MET  85  10.472   9.260   8.181
  657    HE1  MET  85           HE1      MET  85   6.437   7.657   9.763
  658    HE2  MET  85           HE2      MET  85   7.682   8.381  10.782
  659    HE3  MET  85           HE3      MET  85   7.961   6.811  10.029
  660    H    GLY  86           H        GLY  86  12.934   5.756   7.867
  661    HA2  GLY  86           HA2      GLY  86  13.834   3.616   8.106
  662    HA3  GLY  86           HA3      GLY  86  13.913   3.868   9.843
  663    H    ILE  87           H        ILE  87  10.935   4.562   8.463
  664    HA   ILE  87           HA       ILE  87   9.734   2.013   8.514
  665    HB   ILE  87           HB       ILE  87  10.050   2.874  11.021
  666   HG12  ILE  87          HG12      ILE  87   7.333   1.829  10.252
  667   HG13  ILE  87          HG13      ILE  87   8.763   0.825  10.081
  668   HG21  ILE  87          HG21      ILE  87   7.528   4.195  10.075
  669   HG22  ILE  87          HG22      ILE  87   8.989   5.006  10.648
  670   HG23  ILE  87          HG23      ILE  87   8.015   4.047  11.767
  671   HD11  ILE  87          HD11      ILE  87   7.721   2.038  12.622
  672   HD12  ILE  87          HD12      ILE  87   9.197   1.084  12.479
  673   HD13  ILE  87          HD13      ILE  87   7.633   0.342  12.146
  674    H    VAL  88           H        VAL  88   7.530   2.147   7.912
  675    HA   VAL  88           HA       VAL  88   6.655   4.755   6.868
  676    HB   VAL  88           HB       VAL  88   5.673   3.433   4.936
  677   HG11  VAL  88          HG11      VAL  88   8.612   3.752   5.417
  678   HG12  VAL  88          HG12      VAL  88   7.524   4.750   4.441
  679   HG13  VAL  88          HG13      VAL  88   7.994   3.151   3.873
  680   HG21  VAL  88          HG21      VAL  88   7.577   1.333   6.000
  681   HG22  VAL  88          HG22      VAL  88   6.744   1.270   4.439
  682   HG23  VAL  88          HG23      VAL  88   5.815   1.206   5.938
  683    H    THR  89           H        THR  89   4.434   5.161   7.032
  684    HA   THR  89           HA       THR  89   2.944   3.086   8.485
  685    HB   THR  89           HB       THR  89   2.135   5.978   8.441
  686    HG1  THR  89           HG1      THR  89   4.410   5.181   9.379
  687   HG21  THR  89          HG21      THR  89   1.082   5.316  10.582
  688   HG22  THR  89          HG22      THR  89   1.674   3.664  10.342
  689   HG23  THR  89          HG23      THR  89   0.493   4.358   9.219
  690    H    SER  90           H        SER  90   1.147   2.305   7.697
  691    HA   SER  90           HA       SER  90   0.443   2.815   4.975
  692    HB2  SER  90           HB2      SER  90  -0.674   0.982   7.113
  693    HB3  SER  90           HB3      SER  90  -1.264   1.010   5.441
  694    HG   SER  90           HG       SER  90   1.379   0.418   6.319
  695    H    LEU  91           H        LEU  91  -1.906   3.121   4.342
  696    HA   LEU  91           HA       LEU  91  -2.899   5.543   5.168
  697    HB2  LEU  91           HB2      LEU  91  -3.522   3.926   3.193
  698    HB3  LEU  91           HB3      LEU  91  -4.812   3.419   4.263
  699    HG   LEU  91           HG       LEU  91  -5.891   5.443   4.171
  700   HD11  LEU  91          HD11      LEU  91  -4.278   6.985   4.806
  701   HD12  LEU  91          HD12      LEU  91  -4.743   7.472   3.171
  702   HD13  LEU  91          HD13      LEU  91  -3.241   6.583   3.439
  703   HD21  LEU  91          HD21      LEU  91  -4.513   5.159   1.524
  704   HD22  LEU  91          HD22      LEU  91  -5.960   6.118   1.826
  705   HD23  LEU  91          HD23      LEU  91  -6.005   4.365   2.028
  706    H    GLU  92           H        GLU  92  -3.593   2.344   6.405
  707    HA   GLU  92           HA       GLU  92  -5.750   3.135   8.127
  708    HB2  GLU  92           HB2      GLU  92  -5.613   0.829   8.978
  709    HB3  GLU  92           HB3      GLU  92  -5.651   0.874   7.209
  710    HG2  GLU  92           HG2      GLU  92  -3.879  -0.473   7.253
  711    HG3  GLU  92           HG3      GLU  92  -2.951   0.909   7.828
  712    H    GLY  93           H        GLY  93  -2.349   3.007   8.308
  713    HA2  GLY  93           HA2      GLY  93  -1.273   4.250  10.115
  714    HA3  GLY  93           HA3      GLY  93  -2.446   3.534  11.206
  715    H    SER  94           H        SER  94  -1.123   1.467   8.767
  716    HA   SER  94           HA       SER  94   0.157  -0.076  10.839
  717    HB2  SER  94           HB2      SER  94  -1.304  -1.078   8.999
  718    HB3  SER  94           HB3      SER  94   0.046  -0.762   7.908
  719    HG   SER  94           HG       SER  94  -0.293  -2.786   9.655
  720    H    THR  95           H        THR  95   2.226   0.244  11.356
  721    HA   THR  95           HA       THR  95   4.003   1.566   9.511
  722    HB   THR  95           HB       THR  95   5.552   0.824  11.656
  723    HG1  THR  95           HG1      THR  95   4.029   1.494  13.425
  724   HG21  THR  95          HG21      THR  95   3.834   3.291  11.381
  725   HG22  THR  95          HG22      THR  95   5.395   3.036  10.601
  726   HG23  THR  95          HG23      THR  95   5.295   3.143  12.360
  727    H    ILE  96           H        ILE  96   5.694   0.779   8.490
  728    HA   ILE  96           HA       ILE  96   6.466  -2.027   8.826
  729    HB   ILE  96           HB       ILE  96   5.654  -0.647   6.312
  730   HG12  ILE  96          HG12      ILE  96   5.037  -3.184   5.865
  731   HG13  ILE  96          HG13      ILE  96   5.176  -3.285   7.617
  732   HG21  ILE  96          HG21      ILE  96   7.868  -1.113   5.701
  733   HG22  ILE  96          HG22      ILE  96   6.894  -2.416   5.013
  734   HG23  ILE  96          HG23      ILE  96   7.832  -2.691   6.482
  735   HD11  ILE  96          HD11      ILE  96   2.876  -2.900   6.909
  736   HD12  ILE  96          HD12      ILE  96   3.366  -1.396   6.131
  737   HD13  ILE  96          HD13      ILE  96   3.488  -1.564   7.882
  738    HA   PRO  97           HA       PRO  97  10.291   0.104   9.433
  739    HB2  PRO  97           HB2      PRO  97  11.721  -2.417   9.109
  740    HB3  PRO  97           HB3      PRO  97  11.489  -1.448  10.563
  741    HG2  PRO  97           HG2      PRO  97  10.305  -3.864  10.179
  742    HG3  PRO  97           HG3      PRO  97   9.600  -2.578  11.176
  743    HD2  PRO  97           HD2      PRO  97   8.903  -3.430   8.399
  744    HD3  PRO  97           HD3      PRO  97   7.847  -2.880   9.716
  745    H    ILE  98           H        ILE  98  11.524   1.170   8.194
  746    HA   ILE  98           HA       ILE  98  12.204   0.215   5.522
  747    HB   ILE  98           HB       ILE  98  12.292   2.950   6.787
  748   HG12  ILE  98          HG12      ILE  98  10.069   2.092   6.208
  749   HG13  ILE  98          HG13      ILE  98  10.522   3.470   5.216
  750   HG21  ILE  98          HG21      ILE  98  14.151   2.775   5.264
  751   HG22  ILE  98          HG22      ILE  98  12.899   3.794   4.556
  752   HG23  ILE  98          HG23      ILE  98  13.097   2.131   4.005
  753   HD11  ILE  98          HD11      ILE  98   9.381   1.507   4.084
  754   HD12  ILE  98          HD12      ILE  98  10.924   0.662   4.269
  755   HD13  ILE  98          HD13      ILE  98  10.842   2.150   3.325
  756    H    HIS  99           H        HIS  99  14.189  -0.155   4.915
  757    HA   HIS  99           HA       HIS  99  16.414   0.902   6.446
  758    HB2  HIS  99           HB2      HIS  99  17.623  -1.361   6.146
  759    HB3  HIS  99           HB3      HIS  99  16.493  -1.179   7.472
  760    HD1  HIS  99           HD1      HIS  99  17.472  -3.540   5.076
  761    HD2  HIS  99           HD2      HIS  99  13.778  -2.307   6.535
  762    HE1  HIS  99           HE1      HIS  99  15.911  -5.471   4.683
  763    HE2  HIS  99           HE2      HIS  99  13.662  -4.683   5.507
  764    H    GLY 100           H        GLY 100  18.527  -0.015   4.994
  765    HA2  GLY 100           HA2      GLY 100  18.301   0.076   2.259
  766    HA3  GLY 100           HA3      GLY 100  18.232   1.739   2.780
  767    H    ASP 101           H        ASP 101  20.151  -1.071   2.432
  768    HA   ASP 101           HA       ASP 101  22.550  -0.004   3.584
  769    HB2  ASP 101           HB2      ASP 101  22.377  -2.385   3.490
  770    HB3  ASP 101           HB3      ASP 101  21.986  -2.358   1.774
  771    H    ASN 102           H        ASN 102  21.260  -0.421   0.353
  772    HA   ASN 102           HA       ASN 102  22.802   1.875  -0.541
  773    HB2  ASN 102           HB2      ASN 102  23.049  -0.879  -1.621
  774    HB3  ASN 102           HB3      ASN 102  23.012   0.434  -2.795
  775   HD21  ASN 102          HD21      ASN 102  24.791  -1.062  -0.206
  776   HD22  ASN 102          HD22      ASN 102  26.258  -0.172  -0.444
  777    HA   PRO 103           HA       PRO 103  18.712   1.560  -2.923
  778    HB2  PRO 103           HB2      PRO 103  17.313  -0.676  -3.108
  779    HB3  PRO 103           HB3      PRO 103  18.789  -0.500  -4.066
  780    HG2  PRO 103           HG2      PRO 103  18.382  -1.950  -1.481
  781    HG3  PRO 103           HG3      PRO 103  19.219  -2.497  -2.947
  782    HD2  PRO 103           HD2      PRO 103  20.479  -1.408  -0.778
  783    HD3  PRO 103           HD3      PRO 103  21.139  -1.376  -2.418
  784    H    LEU 104           H        LEU 104  16.338   1.540  -2.241
  785    HA   LEU 104           HA       LEU 104  16.080   1.755   0.599
  786    HB2  LEU 104           HB2      LEU 104  14.723   3.094  -1.025
  787    HB3  LEU 104           HB3      LEU 104  13.883   1.619  -1.442
  788    HG   LEU 104           HG       LEU 104  13.205   1.438   0.991
  789   HD11  LEU 104          HD11      LEU 104  14.812   2.948   1.999
  790   HD12  LEU 104          HD12      LEU 104  13.176   3.557   2.264
  791   HD13  LEU 104          HD13      LEU 104  14.197   4.283   1.022
  792   HD21  LEU 104          HD21      LEU 104  11.398   3.064   0.752
  793   HD22  LEU 104          HD22      LEU 104  11.656   2.123  -0.713
  794   HD23  LEU 104          HD23      LEU 104  12.240   3.786  -0.619
  795    H    GLU 105           H        GLU 105  14.646   0.458   1.899
  796    HA   GLU 105           HA       GLU 105  14.157  -2.240   0.888
  797    HB2  GLU 105           HB2      GLU 105  15.627  -1.811   3.492
  798    HB3  GLU 105           HB3      GLU 105  15.296  -3.338   2.689
  799    HG2  GLU 105           HG2      GLU 105  16.800  -2.621   0.854
  800    HG3  GLU 105           HG3      GLU 105  17.189  -1.193   1.780
  801    H    VAL 106           H        VAL 106  12.085  -2.392   1.207
  802    HA   VAL 106           HA       VAL 106  10.906  -1.222   3.620
  803    HB   VAL 106           HB       VAL 106   9.708  -0.186   1.994
  804   HG11  VAL 106          HG11      VAL 106  11.062  -1.025   0.167
  805   HG12  VAL 106          HG12      VAL 106   9.354  -1.051  -0.276
  806   HG13  VAL 106          HG13      VAL 106  10.169  -2.546   0.180
  807   HG21  VAL 106          HG21      VAL 106   8.102  -1.755   3.131
  808   HG22  VAL 106          HG22      VAL 106   8.260  -2.808   1.720
  809   HG23  VAL 106          HG23      VAL 106   7.603  -1.184   1.538
  810    H    LYS 107           H        LYS 107  10.088  -2.516   5.131
  811    HA   LYS 107           HA       LYS 107   9.818  -4.404   6.326
  812    HB2  LYS 107           HB2      LYS 107   8.099  -6.032   5.349
  813    HB3  LYS 107           HB3      LYS 107   7.590  -4.381   5.637
  814    HG2  LYS 107           HG2      LYS 107   7.911  -3.906   3.235
  815    HG3  LYS 107           HG3      LYS 107   8.309  -5.600   2.977
  816    HD2  LYS 107           HD2      LYS 107   5.689  -4.453   3.923
  817    HD3  LYS 107           HD3      LYS 107   6.014  -5.267   2.392
  818    HE2  LYS 107           HE2      LYS 107   6.729  -7.253   3.915
  819    HE3  LYS 107           HE3      LYS 107   5.780  -6.407   5.140
  820    HZ1  LYS 107           HZ1      LYS 107   4.488  -8.071   3.927
  821    HZ2  LYS 107           HZ2      LYS 107   4.767  -7.241   2.472
  822    HZ3  LYS 107           HZ3      LYS 107   3.864  -6.512   3.714
  823    H    ASN 108           H        ASN 108   9.217  -6.742   3.997
  824    HA   ASN 108           HA       ASN 108  11.888  -7.860   4.408
  825    HB2  ASN 108           HB2      ASN 108  10.772 -10.017   3.660
  826    HB3  ASN 108           HB3      ASN 108  10.245  -9.364   5.202
  827   HD21  ASN 108          HD21      ASN 108   9.183  -8.063   2.106
  828   HD22  ASN 108          HD22      ASN 108   7.548  -8.614   2.235
  829    H    ALA 109           H        ALA 109  11.098  -5.833   2.375
  830    HA   ALA 109           HA       ALA 109  11.773  -7.358  -0.044
  831    HB1  ALA 109           HB1      ALA 109  10.365  -5.889  -1.327
  832    HB2  ALA 109           HB2      ALA 109   9.974  -4.952   0.114
  833    HB3  ALA 109           HB3      ALA 109   9.430  -6.631  -0.028
  834    H    THR 110           H        THR 110  12.662  -5.926  -1.791
  835    HA   THR 110           HA       THR 110  14.387  -3.847  -0.720
  836    HB   THR 110           HB       THR 110  15.262  -5.852  -2.804
  837    HG1  THR 110           HG1      THR 110  14.895  -6.814  -0.670
  838   HG21  THR 110          HG21      THR 110  16.828  -3.913  -1.090
  839   HG22  THR 110          HG22      THR 110  16.430  -3.685  -2.793
  840   HG23  THR 110          HG23      THR 110  17.498  -5.001  -2.305
  841    H    VAL 111           H        VAL 111  14.583  -2.101  -2.040
  842    HA   VAL 111           HA       VAL 111  12.625  -1.924  -4.143
  843    HB   VAL 111           HB       VAL 111  14.331   0.018  -2.678
  844   HG11  VAL 111          HG11      VAL 111  14.688   0.552  -5.073
  845   HG12  VAL 111          HG12      VAL 111  13.828   1.813  -4.193
  846   HG13  VAL 111          HG13      VAL 111  12.941   0.721  -5.256
  847   HG21  VAL 111          HG21      VAL 111  12.151   1.167  -2.474
  848   HG22  VAL 111          HG22      VAL 111  12.131  -0.479  -1.843
  849   HG23  VAL 111          HG23      VAL 111  11.418  -0.130  -3.417
  850    H    LEU 112           H        LEU 112  12.921  -2.088  -6.207
  851    HA   LEU 112           HA       LEU 112  15.583  -2.356  -7.339
  852    HB2  LEU 112           HB2      LEU 112  12.817  -2.719  -8.479
  853    HB3  LEU 112           HB3      LEU 112  14.266  -2.817  -9.453
  854    HG   LEU 112           HG       LEU 112  14.992  -4.687  -7.841
  855   HD11  LEU 112          HD11      LEU 112  13.630  -5.250  -6.185
  856   HD12  LEU 112          HD12      LEU 112  12.272  -5.440  -7.311
  857   HD13  LEU 112          HD13      LEU 112  12.633  -3.854  -6.614
  858   HD21  LEU 112          HD21      LEU 112  13.689  -6.354  -9.084
  859   HD22  LEU 112          HD22      LEU 112  14.318  -5.098 -10.150
  860   HD23  LEU 112          HD23      LEU 112  12.622  -5.078  -9.669
  861    H    ALA 113           H        ALA 113  12.764  -0.297  -7.390
  862    HA   ALA 113           HA       ALA 113  14.269   1.940  -8.409
  863    HB1  ALA 113           HB1      ALA 113  13.719   0.814 -10.501
  864    HB2  ALA 113           HB2      ALA 113  12.819   2.323 -10.357
  865    HB3  ALA 113           HB3      ALA 113  12.015   0.785 -10.051
  866    H    ALA 114           H        ALA 114  13.611   3.456  -6.973
  867    HA   ALA 114           HA       ALA 114  10.749   3.798  -6.567
  868    HB1  ALA 114           HB1      ALA 114  12.831   3.404  -4.451
  869    HB2  ALA 114           HB2      ALA 114  11.339   2.485  -4.688
  870    HB3  ALA 114           HB3      ALA 114  11.273   4.154  -4.119
  871    H    ASP 115           H        ASP 115  10.746   5.782  -4.805
  872    HA   ASP 115           HA       ASP 115  10.973   8.032  -4.564
  873    HB2  ASP 115           HB2      ASP 115  13.457   7.397  -4.554
  874    HB3  ASP 115           HB3      ASP 115  13.478   7.840  -6.256
  875    H    ILE 116           H        ILE 116   9.714   6.564  -6.677
  876    HA   ILE 116           HA       ILE 116   9.854   8.137  -9.095
  877    HB   ILE 116           HB       ILE 116   7.955   5.911  -8.384
  878   HG12  ILE 116          HG12      ILE 116  10.732   5.692  -9.538
  879   HG13  ILE 116          HG13      ILE 116  10.170   5.048  -8.013
  880   HG21  ILE 116          HG21      ILE 116   7.607   5.643 -10.688
  881   HG22  ILE 116          HG22      ILE 116   8.976   6.684 -11.092
  882   HG23  ILE 116          HG23      ILE 116   7.519   7.380 -10.373
  883   HD11  ILE 116          HD11      ILE 116  10.384   3.299  -9.675
  884   HD12  ILE 116          HD12      ILE 116   9.259   4.151 -10.734
  885   HD13  ILE 116          HD13      ILE 116   8.700   3.504  -9.190
  886    H    GLU 117           H        GLU 117   8.742  10.114  -8.829
  887    HA   GLU 117           HA       GLU 117   6.467  10.354  -7.351
  888    HB2  GLU 117           HB2      GLU 117   6.229  12.411  -8.999
  889    HB3  GLU 117           HB3      GLU 117   7.332  12.315  -7.630
  890    HG2  GLU 117           HG2      GLU 117   9.131  11.857  -8.844
  891    HG3  GLU 117           HG3      GLU 117   8.173  11.312 -10.215
  892    H    ALA 118           H        ALA 118   4.672   9.451  -7.558
  893    HA   ALA 118           HA       ALA 118   3.846   8.147  -9.979
  894    HB1  ALA 118           HB1      ALA 118   1.812   8.128  -7.972
  895    HB2  ALA 118           HB2      ALA 118   3.379   7.824  -7.211
  896    HB3  ALA 118           HB3      ALA 118   2.821   6.796  -8.543
  897    H    GLU 119           H        GLU 119   1.230   8.231 -10.084
  898    HA   GLU 119           HA       GLU 119   0.448  10.501 -11.403
  899    HB2  GLU 119           HB2      GLU 119  -1.920   9.748 -10.745
  900    HB3  GLU 119           HB3      GLU 119  -0.926   8.614 -11.646
  901    HG2  GLU 119           HG2      GLU 119  -0.427   7.381  -9.639
  902    HG3  GLU 119           HG3      GLU 119  -1.272   8.570  -8.651
  903    H    ASN 120           H        ASN 120  -0.085   9.736  -7.973
  904    HA   ASN 120           HA       ASN 120  -0.610  12.593  -7.525
  905    HB2  ASN 120           HB2      ASN 120  -1.821  10.195  -6.165
  906    HB3  ASN 120           HB3      ASN 120  -1.935  11.820  -5.505
  907   HD21  ASN 120          HD21      ASN 120  -3.035   9.636  -7.955
  908   HD22  ASN 120          HD22      ASN 120  -4.283  10.654  -8.586
  909    H    GLY 121           H        GLY 121   1.450   9.969  -6.750
  910    HA2  GLY 121           HA2      GLY 121   2.636  11.526  -4.578
  911    HA3  GLY 121           HA3      GLY 121   2.063   9.928  -4.171
  912    H    ILE 122           H        ILE 122   3.403   8.341  -4.369
  913    HA   ILE 122           HA       ILE 122   5.733   8.497  -6.093
  914    HB   ILE 122           HB       ILE 122   5.855   8.374  -3.095
  915   HG12  ILE 122          HG12      ILE 122   5.860  10.553  -4.412
  916   HG13  ILE 122          HG13      ILE 122   7.169  10.317  -3.249
  917   HG21  ILE 122          HG21      ILE 122   8.003   7.685  -5.073
  918   HG22  ILE 122          HG22      ILE 122   7.301   6.630  -3.843
  919   HG23  ILE 122          HG23      ILE 122   8.291   8.017  -3.367
  920   HD11  ILE 122          HD11      ILE 122   8.769  10.160  -4.871
  921   HD12  ILE 122          HD12      ILE 122   7.606  11.176  -5.730
  922   HD13  ILE 122          HD13      ILE 122   7.656   9.438  -6.038
  923    H    ILE 123           H        ILE 123   6.589   6.592  -6.673
  924    HA   ILE 123           HA       ILE 123   5.254   4.139  -5.732
  925    HB   ILE 123           HB       ILE 123   6.466   4.785  -8.436
  926   HG12  ILE 123          HG12      ILE 123   3.646   4.092  -7.614
  927   HG13  ILE 123          HG13      ILE 123   4.231   5.725  -7.909
  928   HG21  ILE 123          HG21      ILE 123   5.731   2.555  -9.140
  929   HG22  ILE 123          HG22      ILE 123   5.249   2.190  -7.483
  930   HG23  ILE 123          HG23      ILE 123   6.948   2.460  -7.867
  931   HD11  ILE 123          HD11      ILE 123   4.013   3.499  -9.916
  932   HD12  ILE 123          HD12      ILE 123   4.736   5.075 -10.238
  933   HD13  ILE 123          HD13      ILE 123   3.026   4.959  -9.824
  934    H    HIS 124           H        HIS 124   6.492   2.332  -5.276
  935    HA   HIS 124           HA       HIS 124   9.411   2.552  -5.571
  936    HB2  HIS 124           HB2      HIS 124   8.227   1.354  -3.076
  937    HB3  HIS 124           HB3      HIS 124   9.898   1.755  -3.399
  938    HD1  HIS 124           HD1      HIS 124   6.579   3.520  -2.777
  939    HD2  HIS 124           HD2      HIS 124  10.671   4.148  -2.357
  940    HE1  HIS 124           HE1      HIS 124   6.818   5.695  -1.536
  941    HE2  HIS 124           HE2      HIS 124   9.290   6.086  -1.345
  942    H    VAL 125           H        VAL 125   9.932   0.918  -6.863
  943    HA   VAL 125           HA       VAL 125   8.306  -1.465  -7.025
  944    HB   VAL 125           HB       VAL 125  10.937  -0.828  -8.378
  945   HG11  VAL 125          HG11      VAL 125  10.552  -3.189  -8.415
  946   HG12  VAL 125          HG12      VAL 125  10.192  -2.548 -10.018
  947   HG13  VAL 125          HG13      VAL 125   8.877  -2.960  -8.917
  948   HG21  VAL 125          HG21      VAL 125   8.111  -0.463  -9.368
  949   HG22  VAL 125          HG22      VAL 125   9.570  -0.237 -10.332
  950   HG23  VAL 125          HG23      VAL 125   9.249   0.820  -8.954
  951    H    ILE 126           H        ILE 126   8.676  -3.366  -6.000
  952    HA   ILE 126           HA       ILE 126  11.259  -3.718  -4.614
  953    HB   ILE 126           HB       ILE 126  10.203  -4.612  -2.673
  954   HG12  ILE 126          HG12      ILE 126   8.094  -5.248  -4.298
  955   HG13  ILE 126          HG13      ILE 126   8.086  -5.368  -2.545
  956   HG21  ILE 126          HG21      ILE 126   8.878  -2.013  -3.421
  957   HG22  ILE 126          HG22      ILE 126  10.490  -2.201  -2.725
  958   HG23  ILE 126          HG23      ILE 126   9.064  -2.645  -1.782
  959   HD11  ILE 126          HD11      ILE 126   7.100  -3.015  -4.137
  960   HD12  ILE 126          HD12      ILE 126   7.060  -3.181  -2.381
  961   HD13  ILE 126          HD13      ILE 126   6.095  -4.258  -3.390
  962    H    ASP 127           H        ASP 127  11.559  -5.955  -3.874
  963    HA   ASP 127           HA       ASP 127  10.874  -7.723  -6.115
  964    HB2  ASP 127           HB2      ASP 127  13.236  -7.025  -5.907
  965    HB3  ASP 127           HB3      ASP 127  13.306  -7.752  -4.315
  966    H    THR 128           H        THR 128   9.522  -7.242  -3.494
  967    HA   THR 128           HA       THR 128   8.707  -9.908  -2.961
  968    HB   THR 128           HB       THR 128  10.500  -8.561  -0.918
  969    HG1  THR 128           HG1      THR 128  11.068 -10.340  -2.655
  970   HG21  THR 128          HG21      THR 128   9.820 -10.412   0.624
  971   HG22  THR 128          HG22      THR 128   8.493 -10.766  -0.486
  972   HG23  THR 128          HG23      THR 128   8.579  -9.196   0.321
  973    H    VAL 129           H        VAL 129   6.613  -9.757  -2.159
  974    HA   VAL 129           HA       VAL 129   5.624  -7.126  -1.564
  975    HB   VAL 129           HB       VAL 129   4.236  -9.810  -1.679
  976   HG11  VAL 129          HG11      VAL 129   3.184  -8.345  -0.045
  977   HG12  VAL 129          HG12      VAL 129   2.166  -8.557  -1.467
  978   HG13  VAL 129          HG13      VAL 129   3.082  -7.066  -1.251
  979   HG21  VAL 129          HG21      VAL 129   3.235  -8.933  -3.709
  980   HG22  VAL 129          HG22      VAL 129   4.994  -8.848  -3.833
  981   HG23  VAL 129          HG23      VAL 129   4.062  -7.394  -3.476